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 3n2c_1_A DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.690 174.700 -0.017 0.000 1.109 2 T CA 0.000 62.091 62.100 -0.016 0.000 1.349 2 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 3 I N 2.497 123.055 120.570 -0.020 0.000 2.466 3 I HA 0.688 4.858 4.170 0.000 0.000 0.289 3 I C -1.705 174.395 176.117 -0.028 0.000 1.026 3 I CA -0.239 61.047 61.300 -0.022 0.000 1.078 3 I CB 2.074 40.061 38.000 -0.021 0.000 1.249 3 I HN 0.184 nan 8.210 nan 0.000 0.429 4 T N 6.221 120.757 114.554 -0.030 0.000 2.861 4 T HA 0.540 4.891 4.350 0.000 0.000 0.287 4 T C -0.850 173.828 174.700 -0.037 0.000 1.003 4 T CA -0.525 61.551 62.100 -0.039 0.000 0.977 4 T CB 1.965 70.805 68.868 -0.047 0.000 0.996 4 T HN 0.265 nan 8.240 nan 0.000 0.448 5 V N 4.122 124.011 119.914 -0.041 0.000 2.409 5 V HA 0.417 4.537 4.120 0.000 0.000 0.291 5 V C -0.294 175.784 176.094 -0.026 0.000 1.020 5 V CA -0.866 61.416 62.300 -0.029 0.000 0.848 5 V CB 1.353 33.151 31.823 -0.041 0.000 0.990 5 V HN 0.735 nan 8.190 nan 0.000 0.430 6 L N 6.140 127.360 121.223 -0.006 0.000 2.290 6 L HA 0.519 4.860 4.340 0.000 0.000 0.284 6 L C 0.290 177.216 176.870 0.093 0.000 1.078 6 L CA -0.174 54.665 54.840 -0.002 0.000 0.815 6 L CB 0.877 42.925 42.059 -0.019 0.000 1.162 6 L HN 0.723 nan 8.230 nan 0.000 0.435 7 Q N 2.094 121.958 119.800 0.107 0.000 2.333 7 Q HA 0.547 4.888 4.340 0.000 0.000 0.267 7 Q C 0.437 176.520 176.000 0.138 0.000 1.012 7 Q CA -0.462 55.508 55.803 0.278 0.000 0.824 7 Q CB 2.053 30.928 28.738 0.229 0.000 1.290 7 Q HN 0.813 nan 8.270 nan 0.000 0.449 8 G N 1.876 110.679 108.800 0.005 0.000 2.176 8 G HA2 -0.248 3.713 3.960 0.000 0.000 0.252 8 G HA3 -0.248 3.713 3.960 0.000 0.000 0.252 8 G C 0.341 175.202 174.900 -0.065 0.000 1.024 8 G CA -0.135 44.941 45.100 -0.041 0.000 0.755 8 G HN 1.009 nan 8.290 nan 0.000 0.507 9 G N -0.651 108.104 108.800 -0.075 0.000 2.539 9 G HA2 0.463 4.423 3.960 0.000 0.000 0.258 9 G HA3 0.463 4.423 3.960 0.000 0.000 0.258 9 G C 0.055 174.901 174.900 -0.090 0.000 1.202 9 G CA -0.369 44.694 45.100 -0.061 0.000 0.851 9 G HN 0.496 nan 8.290 nan 0.000 0.556 10 N N 0.457 119.099 118.700 -0.098 0.000 2.767 10 N HA 0.266 5.007 4.740 0.000 0.000 0.238 10 N C -0.486 174.966 175.510 -0.096 0.000 1.083 10 N CA -0.569 52.412 53.050 -0.115 0.000 0.964 10 N CB 1.759 40.174 38.487 -0.119 0.000 1.252 10 N HN 0.157 nan 8.380 nan 0.000 0.512 11 V N 2.888 122.733 119.914 -0.115 0.000 2.479 11 V HA 0.009 4.129 4.120 0.000 0.000 0.281 11 V C 0.634 176.655 176.094 -0.121 0.000 1.031 11 V CA -0.253 61.980 62.300 -0.112 0.000 1.038 11 V CB 0.807 32.556 31.823 -0.124 0.000 0.981 11 V HN 0.609 nan 8.190 nan 0.000 0.478 12 L N 5.351 126.528 121.223 -0.076 0.000 2.325 12 L HA 0.282 4.622 4.340 0.000 0.000 0.284 12 L C 0.302 177.142 176.870 -0.051 0.000 1.089 12 L CA 0.040 54.846 54.840 -0.057 0.000 0.836 12 L CB 0.490 42.532 42.059 -0.028 0.000 1.184 12 L HN 0.677 nan 8.230 nan 0.000 0.444 13 D N 4.930 125.294 120.400 -0.060 0.000 2.359 13 D HA 0.136 4.776 4.640 0.000 0.000 0.230 13 D C 0.795 177.085 176.300 -0.017 0.000 1.118 13 D CA -0.286 53.689 54.000 -0.041 0.000 0.844 13 D CB 1.593 42.358 40.800 -0.057 0.000 1.059 13 D HN 0.529 nan 8.370 nan 0.000 0.493 14 L N 3.437 124.660 121.223 0.000 0.000 2.162 14 L HA -0.080 4.260 4.340 0.000 0.000 0.205 14 L C 2.499 179.381 176.870 0.020 0.000 1.086 14 L CA 0.525 55.375 54.840 0.016 0.000 0.778 14 L CB -0.067 42.010 42.059 0.031 0.000 0.928 14 L HN 0.452 nan 8.230 nan 0.000 0.446 15 E N 0.567 120.777 120.200 0.017 0.000 2.152 15 E HA -0.194 4.156 4.350 0.000 0.000 0.192 15 E C 1.928 178.536 176.600 0.014 0.000 0.983 15 E CA 0.958 57.370 56.400 0.019 0.000 0.818 15 E CB -0.211 29.501 29.700 0.020 0.000 0.758 15 E HN 0.482 nan 8.360 nan 0.000 0.467 16 R N 0.169 120.672 120.500 0.005 0.000 2.246 16 R HA 0.121 4.461 4.340 0.000 0.000 0.199 16 R C 1.076 177.376 176.300 0.000 0.000 0.984 16 R CA 0.529 56.630 56.100 0.002 0.000 1.015 16 R CB 0.153 30.449 30.300 -0.006 0.000 0.930 16 R HN 0.350 nan 8.270 nan 0.000 0.475 17 G N 1.373 110.173 108.800 0.001 0.000 2.221 17 G HA2 -0.252 3.709 3.960 0.000 0.000 0.265 17 G HA3 -0.252 3.709 3.960 0.000 0.000 0.265 17 G C 0.050 174.946 174.900 -0.006 0.000 1.041 17 G CA 0.426 45.528 45.100 0.004 0.000 0.807 17 G HN 0.274 nan 8.290 nan 0.000 0.502 18 V N -3.177 116.725 119.914 -0.020 0.000 3.102 18 V HA 0.823 4.943 4.120 0.000 0.000 0.312 18 V C 0.382 176.444 176.094 -0.054 0.000 1.135 18 V CA -1.713 60.568 62.300 -0.032 0.000 1.022 18 V CB 2.378 34.182 31.823 -0.032 0.000 1.056 18 V HN 0.223 nan 8.190 nan 0.000 0.436 19 L N 2.862 124.050 121.223 -0.059 0.000 2.264 19 L HA 0.451 4.791 4.340 0.000 0.000 0.287 19 L C -0.467 176.334 176.870 -0.115 0.000 1.039 19 L CA -0.456 54.334 54.840 -0.083 0.000 0.829 19 L CB 1.221 43.241 42.059 -0.066 0.000 1.211 19 L HN 0.610 nan 8.230 nan 0.000 0.427 20 L N 5.308 126.411 121.223 -0.200 0.000 2.404 20 L HA 0.106 4.447 4.340 0.000 0.000 0.277 20 L C 0.982 177.732 176.870 -0.200 0.000 1.184 20 L CA -0.356 54.278 54.840 -0.343 0.000 1.013 20 L CB -0.293 41.260 42.059 -0.842 0.000 1.318 20 L HN 0.600 nan 8.230 nan 0.000 0.435 21 E N 3.702 123.865 120.200 -0.061 0.000 2.404 21 E HA -0.055 4.295 4.350 0.000 0.000 0.261 21 E C 0.105 176.726 176.600 0.035 0.000 1.074 21 E CA -0.417 55.909 56.400 -0.124 0.000 0.917 21 E CB 0.373 29.929 29.700 -0.240 0.000 0.965 21 E HN 0.543 nan 8.360 nan 0.000 0.433 22 H N 0.038 119.125 119.070 0.028 0.000 2.713 22 H HA -0.170 4.386 4.556 0.000 0.000 0.311 22 H C -0.813 174.398 175.328 -0.195 0.000 1.175 22 H CA 1.181 57.176 56.048 -0.088 0.000 1.143 22 H CB -2.310 27.407 29.762 -0.076 0.000 1.434 22 H HN 0.516 nan 8.280 nan 0.000 0.418 23 H N 0.470 119.423 119.070 -0.195 0.000 2.459 23 H HA 0.323 4.879 4.556 0.000 0.000 0.332 23 H C 0.657 175.831 175.328 -0.257 0.000 1.094 23 H CA -0.381 55.550 56.048 -0.196 0.000 1.224 23 H CB 0.819 30.532 29.762 -0.081 0.000 1.449 23 H HN 0.261 nan 8.280 nan 0.000 0.484 24 H N 2.120 121.233 119.070 0.071 0.000 2.502 24 H HA 0.270 4.826 4.556 0.000 0.000 0.327 24 H C -0.384 174.969 175.328 0.041 0.000 1.099 24 H CA -0.552 55.518 56.048 0.038 0.000 1.323 24 H CB 1.259 31.024 29.762 0.005 0.000 1.450 24 H HN 0.254 nan 8.280 nan 0.000 0.502 25 V N 4.347 124.340 119.914 0.131 0.000 2.347 25 V HA 0.134 4.254 4.120 0.000 0.000 0.280 25 V C 0.237 176.361 176.094 0.050 0.000 1.021 25 V CA -0.751 61.593 62.300 0.073 0.000 0.847 25 V CB 1.377 33.219 31.823 0.033 0.000 0.990 25 V HN 0.442 nan 8.190 nan 0.000 0.444 26 V N 6.063 126.001 119.914 0.039 0.000 2.394 26 V HA 0.511 4.632 4.120 0.000 0.000 0.282 26 V C -0.149 175.947 176.094 0.003 0.000 1.031 26 V CA -0.514 61.794 62.300 0.013 0.000 0.881 26 V CB 1.576 33.403 31.823 0.006 0.000 0.982 26 V HN 0.573 nan 8.190 nan 0.000 0.451 27 I N 3.362 123.927 120.570 -0.008 0.000 2.433 27 I HA 0.490 4.660 4.170 0.000 0.000 0.292 27 I C -0.678 175.431 176.117 -0.013 0.000 1.001 27 I CA -0.481 60.812 61.300 -0.011 0.000 1.119 27 I CB 1.694 39.682 38.000 -0.020 0.000 1.289 27 I HN 0.609 nan 8.210 nan 0.000 0.438 28 D N 3.967 124.361 120.400 -0.010 0.000 2.471 28 D HA 0.571 5.211 4.640 0.000 0.000 0.245 28 D C 0.770 177.065 176.300 -0.009 0.000 1.116 28 D CA 0.749 54.743 54.000 -0.010 0.000 0.853 28 D CB 1.419 42.214 40.800 -0.008 0.000 1.123 28 D HN 0.848 nan 8.370 nan 0.000 0.540 29 G N 4.266 113.059 108.800 -0.012 0.000 3.274 29 G HA2 -0.348 3.612 3.960 0.000 0.000 0.313 29 G HA3 -0.348 3.612 3.960 0.000 0.000 0.313 29 G C 0.797 175.690 174.900 -0.012 0.000 1.295 29 G CA 0.545 45.639 45.100 -0.011 0.000 1.004 29 G HN 0.542 nan 8.290 nan 0.000 0.614 30 E N 0.636 120.831 120.200 -0.009 0.000 2.572 30 E HA 0.252 4.602 4.350 0.000 0.000 0.220 30 E C 0.939 177.537 176.600 -0.005 0.000 0.945 30 E CA -0.183 56.212 56.400 -0.008 0.000 1.070 30 E CB 0.918 30.615 29.700 -0.006 0.000 1.090 30 E HN 0.413 nan 8.360 nan 0.000 0.506 31 R N 0.812 121.311 120.500 -0.003 0.000 2.740 31 R HA 0.482 4.822 4.340 0.000 0.000 0.282 31 R C -0.505 175.795 176.300 0.000 0.000 0.969 31 R CA -0.816 55.285 56.100 0.001 0.000 0.918 31 R CB 2.083 32.386 30.300 0.006 0.000 1.175 31 R HN -0.060 nan 8.270 nan 0.000 0.464 32 I N 2.186 122.758 120.570 0.003 0.000 2.436 32 I HA -0.058 4.112 4.170 0.000 0.000 0.289 32 I C 1.252 177.375 176.117 0.009 0.000 1.083 32 I CA 0.202 61.506 61.300 0.006 0.000 1.372 32 I CB 1.304 39.309 38.000 0.008 0.000 1.408 32 I HN 0.439 nan 8.210 nan 0.000 0.516 33 V N 5.791 125.711 119.914 0.009 0.000 3.125 33 V HA 0.205 4.325 4.120 0.000 0.000 0.249 33 V C 0.558 176.661 176.094 0.015 0.000 1.113 33 V CA 1.101 63.406 62.300 0.009 0.000 1.106 33 V CB 0.170 31.995 31.823 0.003 0.000 0.768 33 V HN 0.846 nan 8.190 nan 0.000 0.468 34 E N -0.798 119.415 120.200 0.022 0.000 2.335 34 E HA 0.474 4.824 4.350 0.000 0.000 0.280 34 E C -1.900 174.731 176.600 0.053 0.000 0.918 34 E CA -0.433 55.987 56.400 0.033 0.000 0.765 34 E CB 2.572 32.288 29.700 0.026 0.000 1.218 34 E HN 0.022 nan 8.360 nan 0.000 0.425 35 V N 2.803 122.758 119.914 0.068 0.000 2.407 35 V HA 0.631 4.751 4.120 0.000 0.000 0.291 35 V C -0.245 175.925 176.094 0.127 0.000 1.018 35 V CA -0.471 61.894 62.300 0.108 0.000 0.842 35 V CB 1.451 33.338 31.823 0.107 0.000 0.996 35 V HN 0.700 nan 8.190 nan 0.000 0.426 36 T N 1.584 116.208 114.554 0.117 0.000 2.932 36 T HA 0.388 4.738 4.350 0.000 0.000 0.318 36 T C -0.219 174.404 174.700 -0.130 0.000 1.265 36 T CA -0.259 61.853 62.100 0.020 0.000 1.036 36 T CB 1.971 70.866 68.868 0.045 0.000 1.209 36 T HN 0.781 nan 8.240 nan 0.000 0.484 37 D N 1.365 121.558 120.400 -0.345 0.000 2.360 37 D HA 0.138 4.779 4.640 0.000 0.000 0.210 37 D C 0.662 176.923 176.300 -0.064 0.000 1.047 37 D CA -0.132 53.636 54.000 -0.385 0.000 0.854 37 D CB 0.158 40.612 40.800 -0.576 0.000 0.936 37 D HN 0.198 nan 8.370 nan 0.000 0.514 38 R N 1.809 122.311 120.500 0.004 0.000 2.643 38 R HA 0.198 4.538 4.340 0.000 0.000 0.270 38 R C -2.178 174.173 176.300 0.086 0.000 1.061 38 R CA -1.429 54.691 56.100 0.034 0.000 1.107 38 R CB -0.476 29.827 30.300 0.005 0.000 0.999 38 R HN 0.138 nan 8.270 nan 0.000 0.460 39 P HA -0.050 nan 4.420 nan 0.000 0.259 39 P C 0.155 177.377 177.300 -0.130 0.000 1.211 39 P CA 0.141 63.216 63.100 -0.041 0.000 0.810 39 P CB 0.403 32.089 31.700 -0.024 0.000 0.815 40 V N 3.744 123.478 119.914 -0.300 0.000 2.572 40 V HA 0.003 4.123 4.120 0.000 0.000 0.291 40 V C 0.464 176.460 176.094 -0.163 0.000 1.039 40 V CA -0.109 62.051 62.300 -0.233 0.000 1.055 40 V CB 0.204 31.837 31.823 -0.315 0.000 0.969 40 V HN 0.433 nan 8.190 nan 0.000 0.482 41 D N 5.743 126.082 120.400 -0.100 0.000 2.441 41 D HA 0.198 4.838 4.640 0.000 0.000 0.243 41 D C 0.111 176.367 176.300 -0.073 0.000 1.257 41 D CA -0.181 53.774 54.000 -0.074 0.000 1.027 41 D CB -0.154 40.615 40.800 -0.051 0.000 1.084 41 D HN 0.611 nan 8.370 nan 0.000 0.514 42 L N 2.641 123.814 121.223 -0.083 0.000 2.283 42 L HA 0.562 4.902 4.340 0.000 0.000 0.287 42 L C -2.035 174.805 176.870 -0.050 0.000 1.073 42 L CA -1.046 53.753 54.840 -0.069 0.000 0.822 42 L CB 0.742 42.754 42.059 -0.079 0.000 1.186 42 L HN 0.174 nan 8.230 nan 0.000 0.436 43 P HA 0.189 nan 4.420 nan 0.000 0.183 43 P C 0.714 177.997 177.300 -0.028 0.000 1.069 43 P CA 0.215 63.296 63.100 -0.032 0.000 0.856 43 P CB 0.404 32.087 31.700 -0.028 0.000 0.726 44 N N -0.595 118.090 118.700 -0.025 0.000 2.396 44 N HA 0.089 4.829 4.740 0.000 0.000 0.180 44 N C 0.486 175.981 175.510 -0.025 0.000 1.028 44 N CA 0.090 53.126 53.050 -0.023 0.000 0.893 44 N CB -0.211 38.264 38.487 -0.020 0.000 0.967 44 N HN 0.171 nan 8.380 nan 0.000 0.440 45 A N 0.971 123.773 122.820 -0.030 0.000 2.540 45 A HA -0.041 4.279 4.320 0.000 0.000 0.239 45 A C 0.197 177.761 177.584 -0.035 0.000 1.061 45 A CA 0.100 52.117 52.037 -0.033 0.000 0.758 45 A CB 0.209 19.186 19.000 -0.038 0.000 0.991 45 A HN 0.389 nan 8.150 nan 0.000 0.502 46 Q N 0.856 120.635 119.800 -0.035 0.000 2.314 46 Q HA 0.493 4.833 4.340 0.000 0.000 0.258 46 Q C -0.314 175.657 176.000 -0.048 0.000 0.954 46 Q CA -0.020 55.759 55.803 -0.039 0.000 0.890 46 Q CB 0.918 29.633 28.738 -0.038 0.000 1.210 46 Q HN 0.872 nan 8.270 nan 0.000 0.410 47 A N 4.784 127.574 122.820 -0.050 0.000 2.355 47 A HA 0.660 4.980 4.320 0.000 0.000 0.317 47 A C -0.988 176.549 177.584 -0.078 0.000 1.094 47 A CA -0.734 51.270 52.037 -0.055 0.000 0.764 47 A CB 0.874 19.849 19.000 -0.041 0.000 1.230 47 A HN 0.766 nan 8.150 nan 0.000 0.448 48 I N 1.399 121.906 120.570 -0.106 0.000 2.406 48 I HA 0.241 4.412 4.170 0.000 0.000 0.290 48 I C -0.768 175.286 176.117 -0.106 0.000 0.999 48 I CA -0.487 60.710 61.300 -0.171 0.000 1.124 48 I CB 1.976 39.767 38.000 -0.348 0.000 1.289 48 I HN 0.640 nan 8.210 nan 0.000 0.441 49 D N 5.862 126.225 120.400 -0.062 0.000 2.336 49 D HA 0.259 4.899 4.640 0.000 0.000 0.249 49 D C -0.151 176.155 176.300 0.010 0.000 1.213 49 D CA 0.086 54.085 54.000 -0.003 0.000 0.870 49 D CB 0.959 41.772 40.800 0.022 0.000 1.076 49 D HN 0.233 nan 8.370 nan 0.000 0.483 50 V N 5.164 125.086 119.914 0.014 0.000 2.802 50 V HA 0.252 4.373 4.120 0.000 0.000 0.350 50 V C 0.596 176.702 176.094 0.021 0.000 1.233 50 V CA -0.578 61.736 62.300 0.024 0.000 1.337 50 V CB -0.516 31.307 31.823 0.000 0.000 1.497 50 V HN 0.418 nan 8.190 nan 0.000 0.616 51 R N 1.390 121.912 120.500 0.037 0.000 2.389 51 R HA 0.475 4.816 4.340 0.000 0.000 0.295 51 R C 1.321 177.629 176.300 0.013 0.000 1.075 51 R CA 0.543 56.666 56.100 0.038 0.000 1.005 51 R CB 0.712 31.056 30.300 0.074 0.000 0.987 51 R HN 0.648 nan 8.270 nan 0.000 0.452 52 G N 2.402 111.180 108.800 -0.037 0.000 2.221 52 G HA2 -0.332 3.628 3.960 0.000 0.000 0.265 52 G HA3 -0.332 3.628 3.960 0.000 0.000 0.265 52 G C -0.274 174.605 174.900 -0.035 0.000 1.041 52 G CA 0.316 45.388 45.100 -0.047 0.000 0.807 52 G HN 0.520 nan 8.290 nan 0.000 0.502 53 K N -0.427 119.950 120.400 -0.038 0.000 2.469 53 K HA 0.523 4.843 4.320 0.000 0.000 0.254 53 K C -0.234 176.345 176.600 -0.036 0.000 0.939 53 K CA -0.743 55.531 56.287 -0.022 0.000 0.812 53 K CB 1.606 34.114 32.500 0.014 0.000 1.301 53 K HN 0.055 nan 8.250 nan 0.000 0.433 54 T N 1.623 116.156 114.554 -0.034 0.000 2.779 54 T HA 0.160 4.510 4.350 0.000 0.000 0.296 54 T C -0.160 174.518 174.700 -0.038 0.000 0.938 54 T CA -0.450 61.625 62.100 -0.042 0.000 1.119 54 T CB 0.399 69.243 68.868 -0.040 0.000 0.891 54 T HN 0.125 nan 8.240 nan 0.000 0.526 55 V N 6.499 126.386 119.914 -0.045 0.000 2.350 55 V HA 0.555 4.675 4.120 0.000 0.000 0.276 55 V C 0.133 176.197 176.094 -0.050 0.000 1.028 55 V CA -0.609 61.665 62.300 -0.045 0.000 0.860 55 V CB 0.476 32.277 31.823 -0.037 0.000 0.990 55 V HN 0.942 nan 8.190 nan 0.000 0.453 56 M N 5.291 124.853 119.600 -0.063 0.000 2.593 56 M HA 0.799 5.279 4.480 0.000 0.000 0.290 56 M C -3.097 173.149 176.300 -0.090 0.000 1.244 56 M CA -2.198 53.071 55.300 -0.052 0.000 0.857 56 M CB 2.523 35.115 32.600 -0.013 0.000 1.738 56 M HN 0.170 nan 8.290 nan 0.000 0.461 57 P HA 0.192 nan 4.420 nan 0.000 0.269 57 P C -0.074 177.122 177.300 -0.174 0.000 1.215 57 P CA 0.101 63.158 63.100 -0.072 0.000 0.780 57 P CB 0.307 32.004 31.700 -0.006 0.000 0.898 58 G N 1.799 110.482 108.800 -0.195 0.000 2.398 58 G HA2 0.278 4.238 3.960 0.000 0.000 0.246 58 G HA3 0.278 4.238 3.960 0.000 0.000 0.246 58 G C -0.533 174.266 174.900 -0.169 0.000 1.289 58 G CA -0.264 44.641 45.100 -0.326 0.000 0.869 58 G HN 0.202 nan 8.290 nan 0.000 0.543 59 F N 0.622 120.492 119.950 -0.133 0.000 2.496 59 F HA 0.343 4.870 4.527 0.000 0.000 0.344 59 F C 0.922 176.769 175.800 0.078 0.000 1.155 59 F CA -0.819 57.092 58.000 -0.148 0.000 1.302 59 F CB 0.607 39.257 39.000 -0.583 0.000 1.159 59 F HN 0.178 nan 8.300 nan 0.000 0.595 60 I N 2.187 122.968 120.570 0.351 0.000 2.466 60 I HA 0.129 4.299 4.170 0.000 0.000 0.279 60 I C -0.499 175.857 176.117 0.398 0.000 1.033 60 I CA -0.565 60.943 61.300 0.347 0.000 1.123 60 I CB 1.046 39.185 38.000 0.231 0.000 1.237 60 I HN 0.425 nan 8.210 nan 0.000 0.460 61 D N 5.313 126.003 120.400 0.484 0.000 2.338 61 D HA 0.096 4.736 4.640 0.000 0.000 0.255 61 D C 0.633 177.070 176.300 0.229 0.000 1.237 61 D CA -0.044 54.184 54.000 0.380 0.000 0.883 61 D CB 1.329 42.162 40.800 0.055 0.000 1.087 61 D HN 0.581 nan 8.370 nan 0.000 0.485 62 C N 2.875 122.301 119.300 0.210 0.000 2.576 62 C HA 0.034 4.494 4.460 0.000 0.000 0.267 62 C C 0.915 175.963 174.990 0.096 0.000 1.364 62 C CA 0.021 59.115 59.018 0.125 0.000 1.723 62 C CB -1.592 26.197 27.740 0.082 0.000 1.778 62 C HN 0.589 nan 8.230 nan 0.000 0.572 63 H N -0.313 118.739 119.070 -0.031 0.000 3.162 63 H HA 0.489 5.045 4.556 0.000 0.000 0.309 63 H C -0.662 174.579 175.328 -0.145 0.000 1.156 63 H CA -0.181 55.798 56.048 -0.115 0.000 1.586 63 H CB 0.625 30.292 29.762 -0.160 0.000 1.740 63 H HN 0.093 nan 8.280 nan 0.000 0.525 64 V N 1.225 121.018 119.914 -0.202 0.000 3.074 64 V HA 0.573 4.693 4.120 0.000 0.000 0.314 64 V C -0.662 175.232 176.094 -0.334 0.000 1.117 64 V CA -0.793 61.429 62.300 -0.130 0.000 1.014 64 V CB 2.501 34.307 31.823 -0.029 0.000 1.057 64 V HN 0.732 nan 8.190 nan 0.000 0.438 65 H N 1.556 120.705 119.070 0.132 0.000 2.569 65 H HA 0.433 4.990 4.556 0.000 0.000 0.247 65 H C 0.651 176.066 175.328 0.145 0.000 1.346 65 H CA -0.280 55.831 56.048 0.105 0.000 1.502 65 H CB 1.610 31.431 29.762 0.097 0.000 1.512 65 H HN 0.524 nan 8.280 nan 0.000 0.502 66 V N 2.197 122.194 119.914 0.139 0.000 2.490 66 V HA -0.209 3.911 4.120 0.000 0.000 0.250 66 V C 2.090 178.208 176.094 0.039 0.000 1.061 66 V CA 1.613 63.927 62.300 0.024 0.000 1.064 66 V CB -0.140 31.670 31.823 -0.022 0.000 0.670 66 V HN 0.532 nan 8.190 nan 0.000 0.461 67 L N -0.062 121.210 121.223 0.082 0.000 2.592 67 L HA 0.286 4.627 4.340 0.000 0.000 0.227 67 L C 1.294 178.196 176.870 0.053 0.000 1.127 67 L CA 0.075 54.945 54.840 0.050 0.000 0.884 67 L CB -0.145 41.937 42.059 0.038 0.000 1.065 67 L HN 0.246 nan 8.230 nan 0.000 0.457 68 A N -0.150 122.740 122.820 0.117 0.000 2.922 68 A HA 0.228 4.548 4.320 0.000 0.000 0.298 68 A C 1.479 179.133 177.584 0.117 0.000 1.588 68 A CA 0.155 52.242 52.037 0.084 0.000 1.288 68 A CB -0.144 18.910 19.000 0.091 0.000 1.130 68 A HN 0.373 nan 8.150 nan 0.000 0.557 69 S N 1.475 117.201 115.700 0.045 0.000 2.461 69 S HA -0.041 4.429 4.470 0.000 0.000 0.228 69 S C 0.567 175.169 174.600 0.003 0.000 1.005 69 S CA 0.560 58.778 58.200 0.031 0.000 0.942 69 S CB -0.526 62.672 63.200 -0.004 0.000 0.776 69 S HN 0.933 nan 8.310 nan 0.000 0.514 70 N N -1.421 117.267 118.700 -0.020 0.000 2.525 70 N HA 0.676 5.416 4.740 0.000 0.000 0.270 70 N C 0.316 175.801 175.510 -0.043 0.000 1.321 70 N CA -0.417 52.608 53.050 -0.042 0.000 0.797 70 N CB 1.037 39.494 38.487 -0.049 0.000 1.529 70 N HN -0.049 nan 8.380 nan 0.000 0.491 71 A N 0.070 122.875 122.820 -0.025 0.000 2.119 71 A HA -0.050 4.270 4.320 0.000 0.000 0.217 71 A C 0.716 178.287 177.584 -0.021 0.000 1.153 71 A CA 0.670 52.709 52.037 0.002 0.000 0.692 71 A CB -0.712 18.338 19.000 0.083 0.000 0.799 71 A HN 0.705 nan 8.150 nan 0.000 0.458 72 N N 0.853 119.525 118.700 -0.046 0.000 2.437 72 N HA 0.292 5.032 4.740 0.000 0.000 0.243 72 N C 0.502 175.895 175.510 -0.194 0.000 1.041 72 N CA -0.132 52.866 53.050 -0.088 0.000 0.940 72 N CB 0.785 39.236 38.487 -0.059 0.000 1.133 72 N HN 0.300 nan 8.380 nan 0.000 0.506 73 L N 2.354 123.389 121.223 -0.312 0.000 2.313 73 L HA 0.073 4.414 4.340 0.000 0.000 0.214 73 L C 2.202 178.515 176.870 -0.928 0.000 1.119 73 L CA 0.648 55.133 54.840 -0.592 0.000 0.809 73 L CB -0.149 41.497 42.059 -0.688 0.000 0.933 73 L HN 0.552 nan 8.230 nan 0.000 0.449 74 G N -0.426 107.939 108.800 -0.726 0.000 2.404 74 G HA2 -0.212 3.748 3.960 0.000 0.000 0.215 74 G HA3 -0.212 3.748 3.960 0.000 0.000 0.215 74 G C 1.558 176.302 174.900 -0.261 0.000 1.174 74 G CA 0.760 45.577 45.100 -0.472 0.000 0.780 74 G HN 0.174 nan 8.290 nan 0.000 0.537 75 V N 0.700 120.499 119.914 -0.190 0.000 2.871 75 V HA -0.024 4.096 4.120 0.000 0.000 0.256 75 V C 2.368 178.390 176.094 -0.119 0.000 1.082 75 V CA 1.781 64.012 62.300 -0.114 0.000 1.105 75 V CB -0.277 31.503 31.823 -0.071 0.000 0.713 75 V HN 0.457 nan 8.190 nan 0.000 0.473 76 N N 0.195 118.793 118.700 -0.171 0.000 2.188 76 N HA -0.080 4.660 4.740 0.000 0.000 0.184 76 N C 1.772 177.211 175.510 -0.120 0.000 1.018 76 N CA 1.349 54.316 53.050 -0.140 0.000 0.858 76 N CB -0.212 38.174 38.487 -0.169 0.000 0.989 76 N HN 0.473 nan 8.380 nan 0.000 0.426 77 A N -0.610 122.115 122.820 -0.158 0.000 2.014 77 A HA -0.077 4.243 4.320 0.000 0.000 0.218 77 A C 2.063 179.622 177.584 -0.042 0.000 1.163 77 A CA 1.766 53.747 52.037 -0.092 0.000 0.652 77 A CB -0.883 18.059 19.000 -0.096 0.000 0.808 77 A HN 0.520 nan 8.150 nan 0.000 0.449 78 T N -1.153 113.372 114.554 -0.049 0.000 3.129 78 T HA 0.106 4.456 4.350 0.000 0.000 0.251 78 T C 0.870 175.561 174.700 -0.015 0.000 1.117 78 T CA 0.241 62.330 62.100 -0.020 0.000 1.034 78 T CB -0.469 68.387 68.868 -0.020 0.000 0.968 78 T HN 0.706 nan 8.240 nan 0.000 0.526 79 Q N 1.670 121.456 119.800 -0.024 0.000 2.394 79 Q HA 0.329 4.669 4.340 0.000 0.000 0.248 79 Q C -2.729 173.267 176.000 -0.006 0.000 0.992 79 Q CA -2.009 53.783 55.803 -0.017 0.000 0.888 79 Q CB -0.073 28.650 28.738 -0.025 0.000 1.257 79 Q HN 0.077 nan 8.270 nan 0.000 0.462 80 P HA -0.010 nan 4.420 nan 0.000 0.266 80 P C -0.191 177.111 177.300 0.003 0.000 1.195 80 P CA -0.095 63.006 63.100 0.001 0.000 0.768 80 P CB 0.522 32.220 31.700 -0.003 0.000 0.838 81 N N 1.564 120.269 118.700 0.009 0.000 2.061 81 N HA -0.166 4.575 4.740 0.000 0.000 0.193 81 N C 1.484 176.998 175.510 0.006 0.000 1.030 81 N CA 1.451 54.509 53.050 0.013 0.000 0.856 81 N CB -0.730 37.768 38.487 0.018 0.000 1.023 81 N HN 0.369 nan 8.380 nan 0.000 0.424 82 I N 0.668 121.238 120.570 0.000 0.000 2.142 82 I HA -0.194 3.976 4.170 0.000 0.000 0.240 82 I C 2.240 178.353 176.117 -0.007 0.000 1.078 82 I CA 0.800 62.098 61.300 -0.004 0.000 1.343 82 I CB -0.369 37.627 38.000 -0.006 0.000 1.046 82 I HN 0.100 nan 8.210 nan 0.000 0.405 83 L N -0.053 121.166 121.223 -0.008 0.000 2.079 83 L HA -0.263 4.077 4.340 0.000 0.000 0.210 83 L C 2.672 179.535 176.870 -0.012 0.000 1.081 83 L CA 1.347 56.180 54.840 -0.011 0.000 0.752 83 L CB -0.567 41.485 42.059 -0.012 0.000 0.896 83 L HN 0.316 nan 8.230 nan 0.000 0.433 84 A N -0.177 122.638 122.820 -0.009 0.000 1.865 84 A HA -0.249 4.072 4.320 0.000 0.000 0.217 84 A C 2.495 180.074 177.584 -0.008 0.000 1.191 84 A CA 1.944 53.976 52.037 -0.008 0.000 0.623 84 A CB -0.846 18.153 19.000 -0.002 0.000 0.826 84 A HN 0.445 nan 8.150 nan 0.000 0.444 85 A N -0.020 122.796 122.820 -0.006 0.000 1.877 85 A HA -0.084 4.236 4.320 0.000 0.000 0.216 85 A C 2.038 179.611 177.584 -0.018 0.000 1.186 85 A CA 1.697 53.728 52.037 -0.010 0.000 0.620 85 A CB -0.578 18.419 19.000 -0.006 0.000 0.822 85 A HN 0.422 nan 8.150 nan 0.000 0.443 86 I N -0.152 120.407 120.570 -0.018 0.000 2.118 86 I HA -0.253 3.917 4.170 0.000 0.000 0.241 86 I C 2.493 178.594 176.117 -0.027 0.000 1.070 86 I CA 1.747 63.034 61.300 -0.022 0.000 1.327 86 I CB -1.431 36.557 38.000 -0.019 0.000 1.034 86 I HN 0.359 nan 8.210 nan 0.000 0.405 87 R N 0.701 121.186 120.500 -0.025 0.000 2.241 87 R HA -0.111 4.229 4.340 0.000 0.000 0.224 87 R C 2.311 178.589 176.300 -0.036 0.000 1.101 87 R CA 1.416 57.499 56.100 -0.028 0.000 0.995 87 R CB -0.250 30.036 30.300 -0.023 0.000 0.870 87 R HN 0.529 nan 8.270 nan 0.000 0.463 88 S N 0.166 115.844 115.700 -0.037 0.000 2.496 88 S HA 0.032 4.502 4.470 0.000 0.000 0.224 88 S C 1.924 176.484 174.600 -0.066 0.000 0.996 88 S CA 0.225 58.394 58.200 -0.052 0.000 0.927 88 S CB -0.071 63.107 63.200 -0.037 0.000 0.774 88 S HN 0.208 nan 8.310 nan 0.000 0.524 89 L N 1.219 122.410 121.223 -0.053 0.000 2.017 89 L HA 0.033 4.373 4.340 0.000 0.000 0.208 89 L C -0.594 176.242 176.870 -0.057 0.000 1.073 89 L CA 1.284 56.093 54.840 -0.053 0.000 0.745 89 L CB -1.912 40.122 42.059 -0.042 0.000 0.894 89 L HN 0.283 nan 8.230 nan 0.000 0.432 90 P HA -0.116 nan 4.420 nan 0.000 0.220 90 P C 1.790 179.044 177.300 -0.076 0.000 1.148 90 P CA 1.284 64.351 63.100 -0.055 0.000 0.803 90 P CB 0.083 31.755 31.700 -0.048 0.000 0.782 91 I N -1.427 119.073 120.570 -0.116 0.000 2.202 91 I HA -0.214 3.956 4.170 0.000 0.000 0.242 91 I C 2.240 178.251 176.117 -0.177 0.000 1.091 91 I CA 1.298 62.471 61.300 -0.212 0.000 1.368 91 I CB -0.671 37.121 38.000 -0.346 0.000 1.058 91 I HN -0.120 nan 8.210 nan 0.000 0.410 92 L N 0.367 121.514 121.223 -0.127 0.000 2.046 92 L HA -0.257 4.084 4.340 0.000 0.000 0.208 92 L C 2.184 179.026 176.870 -0.046 0.000 1.077 92 L CA 1.627 56.417 54.840 -0.084 0.000 0.747 92 L CB -0.525 41.491 42.059 -0.072 0.000 0.896 92 L HN 0.267 nan 8.230 nan 0.000 0.432 93 D N -0.386 119.988 120.400 -0.044 0.000 2.117 93 D HA -0.164 4.476 4.640 0.000 0.000 0.198 93 D C 2.154 178.452 176.300 -0.004 0.000 0.982 93 D CA 1.201 55.187 54.000 -0.024 0.000 0.828 93 D CB 0.142 40.925 40.800 -0.028 0.000 0.967 93 D HN 0.264 nan 8.370 nan 0.000 0.464 94 A N -0.161 122.651 122.820 -0.012 0.000 1.969 94 A HA -0.096 4.224 4.320 0.000 0.000 0.218 94 A C 2.257 179.884 177.584 0.070 0.000 1.169 94 A CA 1.053 53.100 52.037 0.016 0.000 0.635 94 A CB -0.529 18.469 19.000 -0.004 0.000 0.810 94 A HN 0.279 nan 8.150 nan 0.000 0.445 95 M N -1.302 118.331 119.600 0.055 0.000 2.175 95 M HA -0.102 4.378 4.480 0.000 0.000 0.264 95 M C 2.175 178.631 176.300 0.261 0.000 1.063 95 M CA 1.351 56.733 55.300 0.138 0.000 1.119 95 M CB -0.314 32.300 32.600 0.022 0.000 1.377 95 M HN 0.488 nan 8.290 nan 0.000 0.415 96 L N 0.220 121.526 121.223 0.138 0.000 2.056 96 L HA -0.109 4.231 4.340 0.000 0.000 0.207 96 L C 2.463 179.384 176.870 0.086 0.000 1.078 96 L CA 1.978 56.883 54.840 0.108 0.000 0.749 96 L CB -0.543 41.540 42.059 0.041 0.000 0.901 96 L HN 0.283 nan 8.230 nan 0.000 0.433 97 S N -1.435 114.309 115.700 0.074 0.000 2.515 97 S HA -0.050 4.420 4.470 0.000 0.000 0.231 97 S C 1.912 176.558 174.600 0.077 0.000 0.987 97 S CA 0.316 58.543 58.200 0.046 0.000 0.936 97 S CB -0.531 62.684 63.200 0.024 0.000 0.766 97 S HN 0.490 nan 8.310 nan 0.000 0.528 98 R N 0.617 121.221 120.500 0.175 0.000 2.276 98 R HA 0.231 4.571 4.340 0.000 0.000 0.196 98 R C 1.582 177.987 176.300 0.174 0.000 0.961 98 R CA 0.612 56.857 56.100 0.242 0.000 1.024 98 R CB 0.041 30.613 30.300 0.454 0.000 0.940 98 R HN 0.605 nan 8.270 nan 0.000 0.480 99 G N 0.033 108.868 108.800 0.060 0.000 2.296 99 G HA2 -0.208 3.753 3.960 0.000 0.000 0.188 99 G HA3 -0.208 3.753 3.960 0.000 0.000 0.188 99 G C -0.066 174.632 174.900 -0.337 0.000 1.000 99 G CA -0.741 44.189 45.100 -0.283 0.000 0.672 99 G HN 0.150 nan 8.290 nan 0.000 0.483 100 F N 3.101 123.137 119.950 0.142 0.000 2.490 100 F HA 0.384 4.911 4.527 0.000 0.000 0.357 100 F C 2.001 177.825 175.800 0.039 0.000 1.166 100 F CA 0.862 58.953 58.000 0.152 0.000 1.116 100 F CB 1.033 40.152 39.000 0.199 0.000 1.171 100 F HN 0.114 nan 8.300 nan 0.000 0.576 101 T N -2.288 112.327 114.554 0.101 0.000 3.067 101 T HA 0.124 4.474 4.350 0.000 0.000 0.257 101 T C 0.620 175.360 174.700 0.067 0.000 1.105 101 T CA 0.112 62.236 62.100 0.040 0.000 1.104 101 T CB 0.073 68.922 68.868 -0.031 0.000 0.925 101 T HN 0.307 nan 8.240 nan 0.000 0.498 102 S N 0.676 116.463 115.700 0.145 0.000 2.547 102 S HA 0.690 5.160 4.470 0.000 0.000 0.281 102 S C -0.810 173.917 174.600 0.212 0.000 1.118 102 S CA -0.814 57.469 58.200 0.138 0.000 0.947 102 S CB 2.233 65.558 63.200 0.208 0.000 1.053 102 S HN 0.577 nan 8.310 nan 0.000 0.482 103 V N 0.847 120.847 119.914 0.144 0.000 2.914 103 V HA 0.734 4.854 4.120 0.000 0.000 0.314 103 V C -0.631 175.591 176.094 0.212 0.000 1.084 103 V CA -1.221 61.175 62.300 0.159 0.000 0.963 103 V CB 1.893 33.753 31.823 0.061 0.000 1.025 103 V HN 0.858 nan 8.190 nan 0.000 0.432 104 R N 1.621 122.234 120.500 0.188 0.000 2.246 104 R HA 0.439 4.779 4.340 0.000 0.000 0.332 104 R C -0.926 175.379 176.300 0.009 0.000 0.974 104 R CA -0.346 55.858 56.100 0.173 0.000 0.837 104 R CB 0.896 31.279 30.300 0.138 0.000 1.145 104 R HN 1.033 nan 8.270 nan 0.000 0.467 105 D N 2.677 123.078 120.400 0.002 0.000 2.312 105 D HA 0.180 4.820 4.640 0.000 0.000 0.252 105 D C 0.348 176.565 176.300 -0.140 0.000 1.150 105 D CA 0.016 53.967 54.000 -0.080 0.000 0.870 105 D CB 1.465 42.256 40.800 -0.015 0.000 1.153 105 D HN 0.607 nan 8.370 nan 0.000 0.457 106 A N 3.353 125.969 122.820 -0.339 0.000 2.379 106 A HA 0.565 4.885 4.320 0.000 0.000 0.236 106 A C 0.720 178.314 177.584 0.018 0.000 1.272 106 A CA 0.322 52.142 52.037 -0.363 0.000 0.886 106 A CB -0.370 18.015 19.000 -1.025 0.000 0.962 106 A HN 0.719 nan 8.150 nan 0.000 0.504 107 G N -2.823 106.050 108.800 0.123 0.000 2.196 107 G HA2 0.529 4.489 3.960 0.000 0.000 0.215 107 G HA3 0.529 4.489 3.960 0.000 0.000 0.215 107 G C 0.363 175.379 174.900 0.193 0.000 1.640 107 G CA 0.345 45.556 45.100 0.186 0.000 0.946 107 G HN 1.725 nan 8.290 nan 0.000 0.710 108 G N 0.551 109.416 108.800 0.108 0.000 3.038 108 G HA2 0.399 4.359 3.960 0.000 0.000 0.197 108 G HA3 0.399 4.359 3.960 0.000 0.000 0.197 108 G C 1.045 175.986 174.900 0.068 0.000 1.925 108 G CA 1.226 46.376 45.100 0.083 0.000 1.405 108 G HN 2.479 nan 8.290 nan 0.000 0.524 109 A N 1.850 124.710 122.820 0.066 0.000 2.477 109 A HA 0.539 4.859 4.320 0.000 0.000 0.246 109 A C 0.506 178.127 177.584 0.060 0.000 1.078 109 A CA 1.176 53.241 52.037 0.047 0.000 0.770 109 A CB 0.018 19.033 19.000 0.025 0.000 1.011 109 A HN 0.955 nan 8.150 nan 0.000 0.494 110 D N 0.728 121.170 120.400 0.071 0.000 2.627 110 D HA 0.124 4.764 4.640 0.000 0.000 0.259 110 D C 0.662 177.053 176.300 0.153 0.000 1.164 110 D CA -0.740 53.332 54.000 0.120 0.000 1.087 110 D CB -0.196 40.684 40.800 0.134 0.000 1.217 110 D HN 0.575 nan 8.370 nan 0.000 0.630 111 W N 0.321 121.621 121.300 0.001 0.000 2.519 111 W HA -0.023 4.637 4.660 0.000 0.000 0.266 111 W C 1.694 178.207 176.519 -0.010 0.000 1.253 111 W CA 1.371 58.713 57.345 -0.005 0.000 1.274 111 W CB 0.003 29.464 29.460 0.001 0.000 1.114 111 W HN 0.255 nan 8.180 nan 0.000 0.596 112 S N 1.061 116.819 115.700 0.096 0.000 2.368 112 S HA -0.224 4.246 4.470 0.000 0.000 0.225 112 S C 1.832 176.321 174.600 -0.186 0.000 1.030 112 S CA 1.506 59.659 58.200 -0.079 0.000 0.999 112 S CB -0.798 62.436 63.200 0.057 0.000 0.844 112 S HN 0.321 nan 8.310 nan 0.000 0.459 113 L N 0.818 121.975 121.223 -0.109 0.000 2.201 113 L HA 0.010 4.350 4.340 0.000 0.000 0.212 113 L C 2.558 179.322 176.870 -0.177 0.000 1.105 113 L CA 0.891 55.661 54.840 -0.117 0.000 0.775 113 L CB -0.305 41.716 42.059 -0.063 0.000 0.913 113 L HN 0.395 nan 8.230 nan 0.000 0.440 114 M N -1.108 118.354 119.600 -0.229 0.000 2.132 114 M HA -0.213 4.268 4.480 0.000 0.000 0.263 114 M C 2.243 178.319 176.300 -0.374 0.000 1.065 114 M CA 1.574 56.704 55.300 -0.283 0.000 1.122 114 M CB 0.022 32.461 32.600 -0.267 0.000 1.365 114 M HN 0.229 nan 8.290 nan 0.000 0.411 115 Q N 0.152 119.620 119.800 -0.553 0.000 2.083 115 Q HA -0.028 4.312 4.340 0.000 0.000 0.198 115 Q C 2.185 177.998 176.000 -0.311 0.000 0.969 115 Q CA 1.708 57.191 55.803 -0.533 0.000 0.838 115 Q CB -0.736 27.516 28.738 -0.809 0.000 0.900 115 Q HN 0.664 nan 8.270 nan 0.000 0.436 116 A N 1.072 123.737 122.820 -0.259 0.000 1.927 116 A HA -0.203 4.118 4.320 0.000 0.000 0.220 116 A C 2.300 179.801 177.584 -0.139 0.000 1.185 116 A CA 2.501 54.439 52.037 -0.165 0.000 0.639 116 A CB -0.988 17.934 19.000 -0.130 0.000 0.820 116 A HN 0.318 nan 8.150 nan 0.000 0.451 117 V N -2.874 116.950 119.914 -0.150 0.000 2.488 117 V HA -0.113 4.007 4.120 0.000 0.000 0.246 117 V C 1.897 177.917 176.094 -0.124 0.000 1.046 117 V CA 2.155 64.381 62.300 -0.124 0.000 1.053 117 V CB -0.832 30.918 31.823 -0.122 0.000 0.679 117 V HN 0.570 nan 8.190 nan 0.000 0.458 118 E N 1.208 121.316 120.200 -0.153 0.000 2.152 118 E HA -0.120 4.231 4.350 0.000 0.000 0.192 118 E C 2.369 178.905 176.600 -0.106 0.000 0.983 118 E CA 1.699 58.020 56.400 -0.132 0.000 0.818 118 E CB -0.186 29.422 29.700 -0.153 0.000 0.758 118 E HN 0.901 nan 8.360 nan 0.000 0.467 119 T N -2.867 111.616 114.554 -0.118 0.000 2.995 119 T HA 0.066 4.416 4.350 0.000 0.000 0.269 119 T C 1.578 176.236 174.700 -0.070 0.000 1.091 119 T CA 0.683 62.729 62.100 -0.089 0.000 1.128 119 T CB 0.196 69.006 68.868 -0.097 0.000 0.891 119 T HN 0.261 nan 8.240 nan 0.000 0.492 120 G N 0.647 109.402 108.800 -0.075 0.000 2.132 120 G HA2 -0.194 3.766 3.960 0.000 0.000 0.228 120 G HA3 -0.194 3.766 3.960 0.000 0.000 0.228 120 G C 0.417 175.284 174.900 -0.055 0.000 1.000 120 G CA 0.233 45.298 45.100 -0.059 0.000 0.693 120 G HN 0.476 nan 8.290 nan 0.000 0.515 121 L N -0.453 120.731 121.223 -0.064 0.000 2.179 121 L HA 0.453 4.793 4.340 0.000 0.000 0.208 121 L C 1.198 178.036 176.870 -0.054 0.000 1.096 121 L CA 1.240 56.046 54.840 -0.057 0.000 0.779 121 L CB 0.402 42.422 42.059 -0.064 0.000 0.922 121 L HN 0.207 nan 8.230 nan 0.000 0.443 122 V N -1.169 118.707 119.914 -0.063 0.000 2.656 122 V HA 0.348 4.469 4.120 0.000 0.000 0.307 122 V C -0.156 175.904 176.094 -0.057 0.000 1.051 122 V CA -0.753 61.512 62.300 -0.059 0.000 0.893 122 V CB 1.857 33.641 31.823 -0.067 0.000 0.999 122 V HN 0.026 nan 8.190 nan 0.000 0.426 123 S N 2.670 118.342 115.700 -0.047 0.000 2.523 123 S HA 0.817 5.288 4.470 0.000 0.000 0.275 123 S C 0.212 174.787 174.600 -0.041 0.000 1.281 123 S CA 0.609 58.785 58.200 -0.041 0.000 1.050 123 S CB 0.642 63.823 63.200 -0.031 0.000 0.937 123 S HN 1.488 nan 8.310 nan 0.000 0.492 124 G N 4.243 113.019 108.800 -0.039 0.000 2.341 124 G HA2 0.269 4.229 3.960 0.000 0.000 0.293 124 G HA3 0.269 4.229 3.960 0.000 0.000 0.293 124 G C -3.538 171.342 174.900 -0.033 0.000 1.298 124 G CA -0.871 44.210 45.100 -0.032 0.000 0.868 124 G HN 0.521 nan 8.290 nan 0.000 0.540 125 P HA 0.326 nan 4.420 nan 0.000 0.274 125 P C -0.269 176.986 177.300 -0.075 0.000 1.237 125 P CA -0.464 62.629 63.100 -0.012 0.000 0.793 125 P CB 0.764 32.492 31.700 0.046 0.000 0.977 126 R N 2.107 122.541 120.500 -0.110 0.000 2.449 126 R HA 0.224 4.564 4.340 0.000 0.000 0.296 126 R C -0.397 175.708 176.300 -0.325 0.000 1.047 126 R CA -0.029 55.930 56.100 -0.235 0.000 1.018 126 R CB -0.594 29.540 30.300 -0.276 0.000 0.962 126 R HN 0.393 nan 8.270 nan 0.000 0.428 127 I N 5.462 125.826 120.570 -0.343 0.000 2.359 127 I HA 0.212 4.382 4.170 0.000 0.000 0.294 127 I C -0.565 175.323 176.117 -0.383 0.000 0.987 127 I CA -0.609 60.532 61.300 -0.264 0.000 1.225 127 I CB 1.266 39.184 38.000 -0.136 0.000 1.366 127 I HN 0.548 nan 8.210 nan 0.000 0.466 128 F N 7.336 127.291 119.950 0.008 0.000 2.309 128 F HA 0.323 4.850 4.527 0.000 0.000 0.366 128 F C -2.019 173.780 175.800 -0.001 0.000 1.104 128 F CA -2.219 55.790 58.000 0.015 0.000 1.179 128 F CB 0.545 39.563 39.000 0.030 0.000 1.437 128 F HN 0.219 nan 8.300 nan 0.000 0.528 129 P HA 0.123 nan 4.420 nan 0.000 0.280 129 P C 0.032 177.372 177.300 0.065 0.000 1.244 129 P CA -0.227 62.922 63.100 0.081 0.000 0.784 129 P CB 1.816 33.564 31.700 0.080 0.000 0.913 130 S N 1.421 117.141 115.700 0.032 0.000 2.575 130 S HA 0.259 4.729 4.470 0.000 0.000 0.215 130 S C 1.291 175.904 174.600 0.021 0.000 0.966 130 S CA 0.491 58.694 58.200 0.004 0.000 0.911 130 S CB -0.640 62.551 63.200 -0.015 0.000 0.780 130 S HN 0.904 nan 8.310 nan 0.000 0.514 131 G N 2.369 111.196 108.800 0.046 0.000 2.536 131 G HA2 -0.244 3.716 3.960 0.000 0.000 0.280 131 G HA3 -0.244 3.716 3.960 0.000 0.000 0.280 131 G C -0.571 174.360 174.900 0.052 0.000 1.152 131 G CA -0.161 44.970 45.100 0.052 0.000 0.970 131 G HN 0.322 nan 8.290 nan 0.000 0.549 132 K N 1.298 121.725 120.400 0.044 0.000 2.098 132 K HA 0.728 5.048 4.320 0.000 0.000 0.261 132 K C 0.682 177.311 176.600 0.048 0.000 0.987 132 K CA 0.168 56.483 56.287 0.047 0.000 0.916 132 K CB 1.327 33.848 32.500 0.035 0.000 1.039 132 K HN 1.138 nan 8.250 nan 0.000 0.455 133 A N 2.615 125.471 122.820 0.061 0.000 2.371 133 A HA 0.379 4.699 4.320 0.000 0.000 0.257 133 A C -0.050 177.576 177.584 0.070 0.000 1.089 133 A CA -0.441 51.638 52.037 0.070 0.000 0.794 133 A CB 0.076 19.124 19.000 0.081 0.000 1.029 133 A HN 0.604 nan 8.150 nan 0.000 0.488 134 L N 2.033 123.319 121.223 0.104 0.000 2.275 134 L HA 0.513 4.853 4.340 0.000 0.000 0.288 134 L C 0.457 177.477 176.870 0.250 0.000 1.046 134 L CA -0.144 54.791 54.840 0.158 0.000 0.805 134 L CB 1.318 43.460 42.059 0.139 0.000 1.193 134 L HN 0.716 nan 8.230 nan 0.000 0.426 135 S N 2.438 118.232 115.700 0.157 0.000 2.548 135 S HA 0.464 4.934 4.470 0.000 0.000 0.286 135 S C -0.637 173.860 174.600 -0.171 0.000 1.098 135 S CA -0.803 57.370 58.200 -0.045 0.000 0.930 135 S CB 1.880 65.010 63.200 -0.117 0.000 1.070 135 S HN 0.654 nan 8.310 nan 0.000 0.480 136 Q N 1.724 121.171 119.800 -0.589 0.000 2.407 136 Q HA 0.453 4.793 4.340 0.000 0.000 0.214 136 Q C -0.394 175.481 176.000 -0.208 0.000 1.043 136 Q CA -0.525 55.016 55.803 -0.437 0.000 0.983 136 Q CB -0.238 28.122 28.738 -0.630 0.000 1.211 136 Q HN 0.478 nan 8.270 nan 0.000 0.564 137 T N 0.851 115.331 114.554 -0.123 0.000 2.853 137 T HA 0.368 4.718 4.350 0.000 0.000 0.298 137 T C 0.995 175.639 174.700 -0.095 0.000 0.978 137 T CA 0.766 62.815 62.100 -0.086 0.000 1.152 137 T CB 0.077 68.918 68.868 -0.046 0.000 0.914 137 T HN 0.941 nan 8.240 nan 0.000 0.539 138 G N 2.834 111.578 108.800 -0.094 0.000 2.179 138 G HA2 -0.191 3.769 3.960 0.000 0.000 0.260 138 G HA3 -0.191 3.769 3.960 0.000 0.000 0.260 138 G C 0.603 175.440 174.900 -0.104 0.000 0.977 138 G CA 0.002 45.051 45.100 -0.084 0.000 0.641 138 G HN 1.105 nan 8.290 nan 0.000 0.533 139 G N -1.383 107.329 108.800 -0.147 0.000 2.489 139 G HA2 0.392 4.352 3.960 0.000 0.000 0.271 139 G HA3 0.392 4.352 3.960 0.000 0.000 0.271 139 G C 0.703 175.526 174.900 -0.129 0.000 1.427 139 G CA 0.650 45.662 45.100 -0.147 0.000 1.057 139 G HN 0.456 nan 8.290 nan 0.000 0.532 140 H N -0.847 118.091 119.070 -0.220 0.000 2.495 140 H HA 0.057 4.613 4.556 0.000 0.000 0.287 140 H C 2.315 177.343 175.328 -0.500 0.000 1.033 140 H CA 1.455 57.347 56.048 -0.260 0.000 1.307 140 H CB -0.127 29.530 29.762 -0.174 0.000 1.401 140 H HN 0.400 nan 8.280 nan 0.000 0.555 141 G N -0.921 107.575 108.800 -0.508 0.000 3.233 141 G HA2 -0.025 3.935 3.960 0.000 0.000 0.234 141 G HA3 -0.025 3.935 3.960 0.000 0.000 0.234 141 G C -0.220 174.248 174.900 -0.720 0.000 1.137 141 G CA -0.148 44.535 45.100 -0.695 0.000 0.763 141 G HN 0.238 nan 8.290 nan 0.000 0.549 142 D N 0.367 120.408 120.400 -0.598 0.000 2.380 142 D HA 0.261 4.902 4.640 0.000 0.000 0.230 142 D C -0.167 175.860 176.300 -0.454 0.000 1.154 142 D CA -0.708 53.066 54.000 -0.376 0.000 0.859 142 D CB 0.604 41.280 40.800 -0.207 0.000 1.045 142 D HN 0.046 nan 8.370 nan 0.000 0.495 143 F N 2.048 121.973 119.950 -0.041 0.000 2.641 143 F HA 0.259 4.786 4.527 0.000 0.000 0.302 143 F C 1.306 177.094 175.800 -0.020 0.000 1.098 143 F CA -0.413 57.566 58.000 -0.035 0.000 1.318 143 F CB 0.127 39.099 39.000 -0.048 0.000 1.035 143 F HN -0.011 nan 8.300 nan 0.000 0.551 144 R N 2.258 122.812 120.500 0.090 0.000 2.491 144 R HA 0.170 4.510 4.340 0.000 0.000 0.283 144 R C -2.025 174.304 176.300 0.048 0.000 1.072 144 R CA -1.444 54.691 56.100 0.060 0.000 1.048 144 R CB -0.150 30.166 30.300 0.026 0.000 0.983 144 R HN -0.042 nan 8.270 nan 0.000 0.450 145 P HA 0.008 nan 4.420 nan 0.000 0.272 145 P C -0.210 177.103 177.300 0.021 0.000 1.240 145 P CA -0.210 62.911 63.100 0.035 0.000 0.791 145 P CB 0.660 32.379 31.700 0.031 0.000 0.978 146 R N 0.651 121.162 120.500 0.018 0.000 2.285 146 R HA -0.059 4.282 4.340 0.000 0.000 0.213 146 R C 2.124 178.430 176.300 0.009 0.000 1.068 146 R CA 1.357 57.463 56.100 0.011 0.000 1.004 146 R CB -0.989 29.317 30.300 0.010 0.000 0.873 146 R HN 0.714 nan 8.270 nan 0.000 0.467 147 G N 0.177 108.984 108.800 0.011 0.000 2.806 147 G HA2 -0.223 3.737 3.960 0.000 0.000 0.214 147 G HA3 -0.223 3.737 3.960 0.000 0.000 0.214 147 G C 0.173 175.078 174.900 0.008 0.000 1.331 147 G CA 1.244 46.350 45.100 0.010 0.000 0.807 147 G HN 0.383 nan 8.290 nan 0.000 0.644 148 D N -2.161 118.244 120.400 0.008 0.000 2.639 148 D HA 0.355 4.996 4.640 0.000 0.000 0.271 148 D C -1.144 175.160 176.300 0.007 0.000 1.254 148 D CA -0.558 53.446 54.000 0.006 0.000 0.810 148 D CB 1.482 42.286 40.800 0.006 0.000 1.351 148 D HN 0.022 nan 8.370 nan 0.000 0.427 149 L N 1.662 122.888 121.223 0.004 0.000 2.262 149 L HA 0.460 4.800 4.340 0.000 0.000 0.288 149 L C -0.292 176.580 176.870 0.005 0.000 1.035 149 L CA -0.276 54.565 54.840 0.003 0.000 0.820 149 L CB 0.952 43.010 42.059 -0.002 0.000 1.204 149 L HN 0.087 nan 8.230 nan 0.000 0.424 150 L N 3.024 124.251 121.223 0.007 0.000 2.334 150 L HA 0.408 4.749 4.340 0.000 0.000 0.273 150 L C 0.198 177.072 176.870 0.007 0.000 1.013 150 L CA -0.641 54.204 54.840 0.009 0.000 0.816 150 L CB 2.078 44.145 42.059 0.013 0.000 1.278 150 L HN 0.538 nan 8.230 nan 0.000 0.431 151 E N 3.755 123.958 120.200 0.005 0.000 2.324 151 E HA 0.147 4.497 4.350 0.000 0.000 0.271 151 E C -2.143 174.456 176.600 -0.001 0.000 1.028 151 E CA -1.317 55.083 56.400 -0.001 0.000 0.890 151 E CB 0.537 30.237 29.700 -0.001 0.000 1.004 151 E HN 0.256 nan 8.360 nan 0.000 0.431 152 P HA 0.145 nan 4.420 nan 0.000 0.262 152 P C 0.262 177.517 177.300 -0.075 0.000 1.579 152 P CA -0.472 62.615 63.100 -0.021 0.000 1.111 152 P CB 0.226 31.919 31.700 -0.012 0.000 1.386 153 C N 0.671 119.921 119.300 -0.084 0.000 2.500 153 C HA -0.029 4.431 4.460 0.000 0.000 0.273 153 C C 2.135 176.823 174.990 -0.504 0.000 1.428 153 C CA 0.651 59.530 59.018 -0.231 0.000 1.766 153 C CB -1.699 25.983 27.740 -0.096 0.000 1.817 153 C HN 0.491 nan 8.230 nan 0.000 0.543 154 S N 0.023 115.626 115.700 -0.162 0.000 2.474 154 S HA -0.145 4.325 4.470 0.000 0.000 0.235 154 S C 1.629 176.169 174.600 -0.101 0.000 0.997 154 S CA 1.300 59.484 58.200 -0.027 0.000 0.949 154 S CB -1.366 61.903 63.200 0.116 0.000 0.766 154 S HN 0.771 nan 8.310 nan 0.000 0.517 155 C N 1.217 120.430 119.300 -0.145 0.000 2.396 155 C HA -0.146 4.314 4.460 0.000 0.000 0.277 155 C C 2.931 177.863 174.990 -0.096 0.000 1.231 155 C CA 0.908 59.873 59.018 -0.088 0.000 1.775 155 C CB -1.696 25.995 27.740 -0.082 0.000 2.036 155 C HN 0.774 nan 8.230 nan 0.000 0.484 156 C N -1.125 118.040 119.300 -0.224 0.000 2.512 156 C HA 0.108 4.568 4.460 0.000 0.000 0.276 156 C C 2.311 177.313 174.990 0.019 0.000 1.368 156 C CA 0.143 59.074 59.018 -0.146 0.000 1.755 156 C CB -1.539 26.066 27.740 -0.227 0.000 2.008 156 C HN 0.600 nan 8.230 nan 0.000 0.511 157 F N 1.064 121.026 119.950 0.020 0.000 2.187 157 F HA 0.019 4.546 4.527 0.000 0.000 0.295 157 F C 1.372 177.181 175.800 0.016 0.000 1.091 157 F CA 0.149 58.160 58.000 0.017 0.000 1.308 157 F CB -0.125 38.884 39.000 0.014 0.000 1.030 157 F HN 0.024 nan 8.300 nan 0.000 0.487 158 R N 1.649 122.263 120.500 0.189 0.000 2.404 158 R HA 0.013 4.354 4.340 0.000 0.000 0.315 158 R C 1.144 177.493 176.300 0.080 0.000 1.032 158 R CA 0.398 56.563 56.100 0.109 0.000 0.992 158 R CB -0.338 30.003 30.300 0.070 0.000 0.959 158 R HN 0.216 nan 8.270 nan 0.000 0.428 159 T N -1.170 113.424 114.554 0.067 0.000 3.055 159 T HA -0.034 4.317 4.350 0.000 0.000 0.265 159 T C 1.668 176.387 174.700 0.032 0.000 1.111 159 T CA 0.875 63.006 62.100 0.052 0.000 1.118 159 T CB 0.162 69.058 68.868 0.046 0.000 0.909 159 T HN 0.574 nan 8.240 nan 0.000 0.501 160 G N 0.843 109.654 108.800 0.019 0.000 2.813 160 G HA2 0.449 4.409 3.960 0.000 0.000 0.209 160 G HA3 0.449 4.409 3.960 0.000 0.000 0.209 160 G C 0.573 175.461 174.900 -0.021 0.000 1.150 160 G CA 0.037 45.134 45.100 -0.006 0.000 0.785 160 G HN 0.814 nan 8.290 nan 0.000 0.535 161 A N 0.897 123.720 122.820 0.004 0.000 2.354 161 A HA 0.541 4.861 4.320 0.000 0.000 0.281 161 A C 1.365 178.963 177.584 0.023 0.000 1.174 161 A CA -0.540 51.503 52.037 0.011 0.000 0.828 161 A CB 0.435 19.460 19.000 0.041 0.000 1.099 161 A HN 0.057 nan 8.150 nan 0.000 0.516 162 I N 1.356 121.933 120.570 0.011 0.000 2.252 162 I HA -0.104 4.066 4.170 0.000 0.000 0.245 162 I C 1.511 177.664 176.117 0.060 0.000 1.102 162 I CA 1.973 63.279 61.300 0.010 0.000 1.385 162 I CB -1.576 36.369 38.000 -0.093 0.000 1.064 162 I HN 0.664 nan 8.210 nan 0.000 0.414 163 A N 1.056 123.931 122.820 0.091 0.000 2.437 163 A HA 0.795 5.115 4.320 0.000 0.000 0.288 163 A C -0.004 177.606 177.584 0.043 0.000 1.201 163 A CA -0.613 51.458 52.037 0.056 0.000 0.795 163 A CB 1.661 20.666 19.000 0.008 0.000 1.359 163 A HN 0.313 nan 8.150 nan 0.000 0.435 164 R N -1.031 119.481 120.500 0.019 0.000 2.808 164 R HA 0.738 5.079 4.340 0.000 0.000 0.272 164 R C -1.990 174.307 176.300 -0.004 0.000 0.995 164 R CA -0.753 55.348 56.100 0.002 0.000 0.917 164 R CB 1.520 31.815 30.300 -0.009 0.000 1.217 164 R HN 0.318 nan 8.270 nan 0.000 0.471 165 V N 2.246 122.149 119.914 -0.017 0.000 2.333 165 V HA 0.417 4.537 4.120 0.000 0.000 0.274 165 V C -0.289 175.811 176.094 0.012 0.000 1.028 165 V CA -0.516 61.774 62.300 -0.016 0.000 0.851 165 V CB 1.081 32.880 31.823 -0.040 0.000 1.000 165 V HN 0.612 nan 8.190 nan 0.000 0.456 166 V N 1.503 121.456 119.914 0.066 0.000 2.760 166 V HA 0.802 4.923 4.120 0.000 0.000 0.309 166 V C -1.180 175.015 176.094 0.169 0.000 1.077 166 V CA -0.794 61.557 62.300 0.084 0.000 0.910 166 V CB 2.126 33.987 31.823 0.063 0.000 1.008 166 V HN 0.729 nan 8.190 nan 0.000 0.424 167 D N 1.727 122.197 120.400 0.117 0.000 2.601 167 D HA 0.850 5.490 4.640 0.000 0.000 0.230 167 D C 0.120 176.473 176.300 0.087 0.000 1.106 167 D CA 0.577 54.667 54.000 0.150 0.000 0.873 167 D CB 1.871 42.724 40.800 0.089 0.000 1.515 167 D HN 1.480 nan 8.370 nan 0.000 0.468 168 G N -0.707 108.146 108.800 0.088 0.000 2.788 168 G HA2 -0.136 3.824 3.960 0.000 0.000 0.686 168 G HA3 -0.136 3.824 3.960 0.000 0.000 0.686 168 G C 0.609 175.512 174.900 0.005 0.000 1.147 168 G CA -0.514 44.609 45.100 0.039 0.000 0.755 168 G HN 0.418 nan 8.290 nan 0.000 0.634 169 V N 1.602 121.513 119.914 -0.005 0.000 2.252 169 V HA -0.185 3.935 4.120 0.000 0.000 0.249 169 V C 2.695 178.770 176.094 -0.031 0.000 1.056 169 V CA 2.822 65.106 62.300 -0.027 0.000 1.022 169 V CB -0.387 31.425 31.823 -0.018 0.000 0.641 169 V HN 0.801 nan 8.190 nan 0.000 0.445 170 E N 0.309 120.498 120.200 -0.018 0.000 2.152 170 E HA -0.088 4.262 4.350 0.000 0.000 0.192 170 E C 2.326 178.914 176.600 -0.019 0.000 0.983 170 E CA 1.227 57.617 56.400 -0.018 0.000 0.818 170 E CB -0.670 29.024 29.700 -0.011 0.000 0.758 170 E HN 0.628 nan 8.360 nan 0.000 0.467 171 G N 1.703 110.496 108.800 -0.012 0.000 2.418 171 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 171 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 171 G C 1.814 176.703 174.900 -0.019 0.000 1.158 171 G CA 1.491 46.587 45.100 -0.008 0.000 0.771 171 G HN 0.315 nan 8.290 nan 0.000 0.545 172 V N -2.005 117.885 119.914 -0.041 0.000 2.719 172 V HA 0.177 4.297 4.120 0.000 0.000 0.252 172 V C 2.431 178.479 176.094 -0.076 0.000 1.065 172 V CA 1.483 63.734 62.300 -0.081 0.000 1.086 172 V CB -0.402 31.303 31.823 -0.198 0.000 0.700 172 V HN 0.231 nan 8.190 nan 0.000 0.467 173 R N -0.232 120.232 120.500 -0.060 0.000 2.066 173 R HA -0.029 4.311 4.340 0.000 0.000 0.232 173 R C 2.317 178.595 176.300 -0.038 0.000 1.131 173 R CA 1.860 57.930 56.100 -0.049 0.000 0.955 173 R CB -0.511 29.766 30.300 -0.038 0.000 0.851 173 R HN 0.555 nan 8.270 nan 0.000 0.432 174 L N 0.861 122.066 121.223 -0.030 0.000 2.046 174 L HA -0.107 4.233 4.340 0.000 0.000 0.208 174 L C 2.225 179.079 176.870 -0.026 0.000 1.077 174 L CA 2.084 56.909 54.840 -0.024 0.000 0.747 174 L CB -0.697 41.351 42.059 -0.019 0.000 0.896 174 L HN 0.147 nan 8.230 nan 0.000 0.432 175 A N -0.989 121.814 122.820 -0.028 0.000 1.892 175 A HA -0.196 4.124 4.320 0.000 0.000 0.218 175 A C 2.278 179.846 177.584 -0.028 0.000 1.188 175 A CA 2.325 54.347 52.037 -0.025 0.000 0.631 175 A CB -1.229 17.759 19.000 -0.020 0.000 0.822 175 A HN 0.326 nan 8.150 nan 0.000 0.447 176 V N -0.237 119.654 119.914 -0.037 0.000 2.295 176 V HA -0.262 3.858 4.120 0.000 0.000 0.246 176 V C 2.625 178.699 176.094 -0.033 0.000 1.049 176 V CA 2.288 64.564 62.300 -0.039 0.000 1.024 176 V CB -0.808 30.985 31.823 -0.049 0.000 0.648 176 V HN 0.533 nan 8.190 nan 0.000 0.447 177 R N -0.320 120.161 120.500 -0.031 0.000 2.120 177 R HA -0.158 4.183 4.340 0.000 0.000 0.234 177 R C 2.293 178.575 176.300 -0.029 0.000 1.123 177 R CA 1.489 57.571 56.100 -0.029 0.000 0.975 177 R CB -0.218 30.067 30.300 -0.026 0.000 0.866 177 R HN 0.626 nan 8.270 nan 0.000 0.446 178 E N 0.181 120.365 120.200 -0.026 0.000 2.047 178 E HA -0.155 4.195 4.350 0.000 0.000 0.191 178 E C 1.885 178.471 176.600 -0.023 0.000 0.987 178 E CA 0.809 57.195 56.400 -0.023 0.000 0.799 178 E CB 0.141 29.830 29.700 -0.019 0.000 0.752 178 E HN 0.223 nan 8.360 nan 0.000 0.449 179 E N 0.566 120.755 120.200 -0.019 0.000 2.106 179 E HA -0.150 4.200 4.350 0.000 0.000 0.192 179 E C 2.124 178.713 176.600 -0.017 0.000 0.984 179 E CA 0.684 57.077 56.400 -0.012 0.000 0.806 179 E CB -0.128 29.567 29.700 -0.009 0.000 0.750 179 E HN 0.319 nan 8.360 nan 0.000 0.458 180 I N 1.243 121.796 120.570 -0.028 0.000 2.252 180 I HA -0.313 3.857 4.170 0.000 0.000 0.245 180 I C 2.607 178.693 176.117 -0.051 0.000 1.102 180 I CA 1.434 62.715 61.300 -0.032 0.000 1.385 180 I CB -0.063 37.919 38.000 -0.031 0.000 1.064 180 I HN 0.084 nan 8.210 nan 0.000 0.414 181 Q N 0.891 120.654 119.800 -0.062 0.000 2.297 181 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 181 Q C 1.802 177.720 176.000 -0.137 0.000 0.962 181 Q CA 1.370 57.115 55.803 -0.096 0.000 0.879 181 Q CB -0.307 28.385 28.738 -0.077 0.000 0.947 181 Q HN 0.280 nan 8.270 nan 0.000 0.462 182 K N -0.379 119.967 120.400 -0.091 0.000 2.362 182 K HA 0.053 4.373 4.320 0.000 0.000 0.200 182 K C 0.618 177.156 176.600 -0.103 0.000 1.046 182 K CA 0.788 57.025 56.287 -0.083 0.000 0.952 182 K CB 0.034 32.530 32.500 -0.008 0.000 0.753 182 K HN 0.530 nan 8.250 nan 0.000 0.466 183 G N 0.007 108.752 108.800 -0.093 0.000 2.198 183 G HA2 -0.158 3.802 3.960 0.000 0.000 0.156 183 G HA3 -0.158 3.802 3.960 0.000 0.000 0.156 183 G C 0.039 175.011 174.900 0.120 0.000 1.012 183 G CA -0.199 44.868 45.100 -0.055 0.000 0.692 183 G HN 0.383 nan 8.290 nan 0.000 0.492 184 A N 0.658 123.521 122.820 0.072 0.000 2.498 184 A HA 0.598 4.918 4.320 0.000 0.000 0.239 184 A C 1.716 179.339 177.584 0.065 0.000 1.068 184 A CA 1.586 53.666 52.037 0.072 0.000 0.766 184 A CB 0.288 19.303 19.000 0.026 0.000 1.003 184 A HN 1.404 nan 8.150 nan 0.000 0.497 185 T N -0.833 113.773 114.554 0.087 0.000 3.009 185 T HA 0.145 4.496 4.350 0.000 0.000 0.258 185 T C 0.642 175.307 174.700 -0.057 0.000 1.063 185 T CA 1.041 63.193 62.100 0.087 0.000 1.139 185 T CB -0.112 68.901 68.868 0.241 0.000 0.890 185 T HN 0.935 nan 8.240 nan 0.000 0.471 186 Q N -0.054 119.656 119.800 -0.151 0.000 2.626 186 Q HA 0.529 4.869 4.340 0.000 0.000 0.300 186 Q C -1.505 174.346 176.000 -0.248 0.000 0.988 186 Q CA -1.069 54.500 55.803 -0.390 0.000 0.761 186 Q CB 1.200 29.376 28.738 -0.936 0.000 1.494 186 Q HN 0.194 nan 8.270 nan 0.000 0.439 190 M N 3.559 123.328 119.600 0.282 0.000 2.111 190 M HA 0.454 4.934 4.480 0.000 0.000 0.351 190 M C 0.718 177.170 176.300 0.253 0.000 1.214 190 M CA -0.207 55.262 55.300 0.281 0.000 1.120 190 M CB 0.590 33.292 32.600 0.170 0.000 1.443 190 M HN 0.937 nan 8.290 nan 0.000 0.429 191 A N 2.567 125.534 122.820 0.245 0.000 2.195 191 A HA 0.253 4.573 4.320 0.000 0.000 0.210 191 A C 0.987 178.626 177.584 0.092 0.000 1.165 191 A CA 0.724 52.861 52.037 0.167 0.000 0.806 191 A CB 0.224 19.297 19.000 0.122 0.000 0.847 191 A HN 0.752 nan 8.150 nan 0.000 0.482 192 S N -2.304 113.451 115.700 0.092 0.000 2.705 192 S HA 0.625 5.095 4.470 0.000 0.000 0.280 192 S C 0.285 174.941 174.600 0.093 0.000 1.174 192 S CA -0.133 58.091 58.200 0.040 0.000 0.823 192 S CB 0.507 63.689 63.200 -0.031 0.000 1.162 192 S HN 0.949 nan 8.310 nan 0.000 0.487 193 G N -0.628 108.208 108.800 0.059 0.000 2.614 193 G HA2 0.509 4.469 3.960 0.000 0.000 0.239 193 G HA3 0.509 4.469 3.960 0.000 0.000 0.239 193 G C 0.321 175.272 174.900 0.084 0.000 1.240 193 G CA -0.010 45.117 45.100 0.045 0.000 0.842 193 G HN 1.164 nan 8.290 nan 0.000 0.584 194 G N -1.542 107.144 108.800 -0.189 0.000 3.105 194 G HA2 0.463 4.423 3.960 0.000 0.000 0.277 194 G HA3 0.463 4.423 3.960 0.000 0.000 0.277 194 G C 0.470 175.323 174.900 -0.078 0.000 1.375 194 G CA 0.107 44.989 45.100 -0.364 0.000 0.962 194 G HN 0.635 nan 8.290 nan 0.000 0.541 195 V N 0.276 120.252 119.914 0.103 0.000 2.685 195 V HA 0.127 4.248 4.120 0.000 0.000 0.244 195 V C 2.936 179.158 176.094 0.214 0.000 1.054 195 V CA 1.892 64.270 62.300 0.130 0.000 1.076 195 V CB -0.216 31.696 31.823 0.148 0.000 0.725 195 V HN 0.796 nan 8.190 nan 0.000 0.467 196 A N 0.963 124.010 122.820 0.379 0.000 1.897 196 A HA -0.039 4.281 4.320 0.000 0.000 0.215 196 A C 1.680 179.457 177.584 0.322 0.000 1.181 196 A CA 1.156 53.381 52.037 0.313 0.000 0.620 196 A CB -0.594 18.577 19.000 0.285 0.000 0.821 196 A HN 0.624 nan 8.150 nan 0.000 0.443 197 S N 0.252 116.172 115.700 0.367 0.000 2.549 197 S HA 0.303 4.773 4.470 0.000 0.000 0.283 197 S C -1.499 173.194 174.600 0.155 0.000 1.320 197 S CA -0.631 57.702 58.200 0.221 0.000 1.058 197 S CB 0.898 64.143 63.200 0.075 0.000 0.882 197 S HN 0.321 nan 8.310 nan 0.000 0.498 198 P HA -0.015 nan 4.420 nan 0.000 0.227 198 P C 1.376 178.704 177.300 0.047 0.000 1.161 198 P CA 0.986 64.135 63.100 0.082 0.000 0.788 198 P CB -0.293 31.455 31.700 0.081 0.000 0.822 199 T N -2.868 111.705 114.554 0.032 0.000 3.009 199 T HA -0.005 4.345 4.350 0.000 0.000 0.258 199 T C 0.680 175.382 174.700 0.004 0.000 1.063 199 T CA 0.144 62.250 62.100 0.010 0.000 1.139 199 T CB -0.694 68.170 68.868 -0.007 0.000 0.890 199 T HN 0.160 nan 8.240 nan 0.000 0.471 200 D N 2.437 122.843 120.400 0.010 0.000 2.256 200 D HA 0.393 5.033 4.640 0.000 0.000 0.240 200 D C -3.195 173.105 176.300 -0.000 0.000 1.062 200 D CA -2.260 51.741 54.000 0.002 0.000 0.832 200 D CB 1.912 42.713 40.800 0.001 0.000 1.135 200 D HN 0.102 nan 8.370 nan 0.000 0.484 201 P HA 0.127 nan 4.420 nan 0.000 0.272 201 P C 1.234 178.517 177.300 -0.029 0.000 1.223 201 P CA -0.493 62.591 63.100 -0.027 0.000 0.784 201 P CB 0.753 32.436 31.700 -0.028 0.000 0.923 202 I N -0.567 119.967 120.570 -0.061 0.000 2.756 202 I HA -0.081 4.090 4.170 0.000 0.000 0.262 202 I C 1.620 177.725 176.117 -0.019 0.000 1.225 202 I CA 1.249 62.515 61.300 -0.057 0.000 1.472 202 I CB -0.744 37.101 38.000 -0.257 0.000 1.094 202 I HN 0.152 nan 8.210 nan 0.000 0.454 203 A N 2.416 125.214 122.820 -0.036 0.000 1.968 203 A HA -0.031 4.290 4.320 0.000 0.000 0.217 203 A C 1.159 178.740 177.584 -0.006 0.000 1.169 203 A CA 0.908 52.930 52.037 -0.024 0.000 0.638 203 A CB -0.781 18.198 19.000 -0.034 0.000 0.812 203 A HN 0.739 nan 8.150 nan 0.000 0.446 204 N N 0.403 119.100 118.700 -0.004 0.000 2.492 204 N HA 0.306 5.046 4.740 0.000 0.000 0.289 204 N C -0.432 175.082 175.510 0.006 0.000 1.133 204 N CA 0.234 53.283 53.050 -0.001 0.000 0.961 204 N CB 0.841 39.324 38.487 -0.007 0.000 1.186 204 N HN 0.165 nan 8.380 nan 0.000 0.493 205 T N -1.733 112.826 114.554 0.007 0.000 2.922 205 T HA 0.296 4.646 4.350 0.000 0.000 0.285 205 T C -0.192 174.512 174.700 0.006 0.000 1.005 205 T CA -0.705 61.404 62.100 0.015 0.000 1.061 205 T CB 1.504 70.386 68.868 0.023 0.000 1.007 205 T HN 0.554 nan 8.240 nan 0.000 0.502 206 Q N 0.560 120.367 119.800 0.011 0.000 2.387 206 Q HA 0.504 4.844 4.340 0.000 0.000 0.273 206 Q C -1.398 174.623 176.000 0.035 0.000 1.089 206 Q CA -1.036 54.739 55.803 -0.047 0.000 0.824 206 Q CB 2.034 30.703 28.738 -0.116 0.000 1.367 206 Q HN 0.833 nan 8.270 nan 0.000 0.443 207 Y N -0.404 119.910 120.300 0.022 0.000 2.543 207 Y HA -0.292 4.258 4.550 0.000 0.000 0.026 207 Y C 0.278 176.185 175.900 0.012 0.000 1.737 207 Y CA 0.043 58.153 58.100 0.016 0.000 1.393 207 Y CB -0.377 38.095 38.460 0.020 0.000 2.040 207 Y HN 0.761 nan 8.280 nan 0.000 0.260 208 S N 1.913 117.741 115.700 0.212 0.000 2.584 208 S HA 0.131 4.601 4.470 0.000 0.000 0.270 208 S C 0.839 175.487 174.600 0.080 0.000 1.346 208 S CA -0.139 58.126 58.200 0.109 0.000 1.018 208 S CB 1.506 64.753 63.200 0.078 0.000 0.899 208 S HN 0.707 nan 8.310 nan 0.000 0.542 209 E N 0.677 120.905 120.200 0.048 0.000 2.204 209 E HA -0.166 4.184 4.350 0.000 0.000 0.195 209 E C 0.890 177.493 176.600 0.006 0.000 0.990 209 E CA 1.287 57.702 56.400 0.025 0.000 0.821 209 E CB -0.173 29.538 29.700 0.019 0.000 0.750 209 E HN 0.683 nan 8.360 nan 0.000 0.477 210 D N 0.688 121.092 120.400 0.007 0.000 2.144 210 D HA -0.118 4.523 4.640 0.000 0.000 0.200 210 D C 1.644 177.924 176.300 -0.033 0.000 0.978 210 D CA 0.919 54.914 54.000 -0.007 0.000 0.833 210 D CB 0.006 40.807 40.800 0.001 0.000 0.961 210 D HN 0.208 nan 8.370 nan 0.000 0.470 211 E N -0.088 120.086 120.200 -0.042 0.000 2.047 211 E HA -0.074 4.276 4.350 0.000 0.000 0.191 211 E C 2.251 178.736 176.600 -0.192 0.000 0.987 211 E CA 0.503 56.820 56.400 -0.138 0.000 0.799 211 E CB 0.013 29.607 29.700 -0.178 0.000 0.752 211 E HN 0.274 nan 8.360 nan 0.000 0.449 212 I N 0.746 121.238 120.570 -0.129 0.000 2.179 212 I HA -0.291 3.879 4.170 0.000 0.000 0.242 212 I C 2.558 178.632 176.117 -0.071 0.000 1.088 212 I CA 1.123 62.363 61.300 -0.100 0.000 1.357 212 I CB -0.275 37.715 38.000 -0.016 0.000 1.051 212 I HN 0.038 nan 8.210 nan 0.000 0.409 213 R N 0.662 121.133 120.500 -0.049 0.000 2.091 213 R HA -0.176 4.165 4.340 0.000 0.000 0.238 213 R C 2.461 178.735 176.300 -0.043 0.000 1.136 213 R CA 1.606 57.684 56.100 -0.035 0.000 0.959 213 R CB -0.424 29.863 30.300 -0.022 0.000 0.856 213 R HN 0.404 nan 8.270 nan 0.000 0.437 214 A N 0.929 123.713 122.820 -0.059 0.000 1.902 214 A HA -0.146 4.174 4.320 0.000 0.000 0.217 214 A C 2.107 179.650 177.584 -0.068 0.000 1.181 214 A CA 1.247 53.248 52.037 -0.060 0.000 0.623 214 A CB -0.416 18.542 19.000 -0.070 0.000 0.818 214 A HN 0.201 nan 8.150 nan 0.000 0.443 215 I N -0.663 119.848 120.570 -0.098 0.000 2.252 215 I HA -0.190 3.980 4.170 0.000 0.000 0.245 215 I C 2.341 178.424 176.117 -0.056 0.000 1.102 215 I CA 0.893 62.135 61.300 -0.096 0.000 1.385 215 I CB -0.259 37.653 38.000 -0.147 0.000 1.064 215 I HN 0.146 nan 8.210 nan 0.000 0.414 216 V N 0.774 120.664 119.914 -0.041 0.000 2.295 216 V HA -0.318 3.803 4.120 0.000 0.000 0.246 216 V C 2.005 178.095 176.094 -0.006 0.000 1.049 216 V CA 2.198 64.491 62.300 -0.012 0.000 1.024 216 V CB -0.619 31.201 31.823 -0.005 0.000 0.648 216 V HN 0.378 nan 8.190 nan 0.000 0.447 217 D N -0.480 119.912 120.400 -0.014 0.000 2.178 217 D HA -0.125 4.515 4.640 0.000 0.000 0.201 217 D C 2.255 178.549 176.300 -0.010 0.000 0.980 217 D CA 0.889 54.884 54.000 -0.008 0.000 0.842 217 D CB -0.101 40.691 40.800 -0.012 0.000 0.948 217 D HN 0.392 nan 8.370 nan 0.000 0.472 218 E N -0.311 119.876 120.200 -0.021 0.000 2.371 218 E HA 0.087 4.437 4.350 0.000 0.000 0.194 218 E C 1.806 178.393 176.600 -0.021 0.000 1.012 218 E CA 0.246 56.633 56.400 -0.022 0.000 0.860 218 E CB 0.253 29.934 29.700 -0.032 0.000 0.811 218 E HN 0.222 nan 8.360 nan 0.000 0.502 219 A N 1.272 124.080 122.820 -0.019 0.000 1.878 219 A HA -0.105 4.216 4.320 0.000 0.000 0.213 219 A C 1.992 179.580 177.584 0.007 0.000 1.192 219 A CA 0.830 52.856 52.037 -0.018 0.000 0.619 219 A CB -0.259 18.724 19.000 -0.028 0.000 0.837 219 A HN 0.104 nan 8.150 nan 0.000 0.446 220 E N 0.001 120.213 120.200 0.020 0.000 2.118 220 E HA -0.146 4.204 4.350 0.000 0.000 0.195 220 E C 2.097 178.711 176.600 0.023 0.000 0.992 220 E CA 0.980 57.400 56.400 0.034 0.000 0.804 220 E CB -0.263 29.457 29.700 0.033 0.000 0.741 220 E HN 0.600 nan 8.360 nan 0.000 0.458 221 A N 0.777 123.604 122.820 0.011 0.000 2.121 221 A HA 0.050 4.370 4.320 0.000 0.000 0.218 221 A C 1.928 179.516 177.584 0.007 0.000 1.154 221 A CA 1.236 53.277 52.037 0.007 0.000 0.679 221 A CB -0.054 18.946 19.000 -0.000 0.000 0.795 221 A HN 0.218 nan 8.150 nan 0.000 0.458 222 A N -0.660 122.164 122.820 0.007 0.000 2.610 222 A HA 0.387 4.708 4.320 0.000 0.000 0.286 222 A C 0.474 178.069 177.584 0.018 0.000 1.306 222 A CA -0.166 51.874 52.037 0.006 0.000 0.942 222 A CB -0.366 18.630 19.000 -0.006 0.000 1.112 222 A HN 0.365 nan 8.150 nan 0.000 0.527 223 N N 0.113 118.830 118.700 0.029 0.000 2.721 223 N HA -0.144 4.596 4.740 0.000 0.000 0.249 223 N C 0.115 175.666 175.510 0.067 0.000 1.072 223 N CA 1.700 54.777 53.050 0.045 0.000 0.710 223 N CB -1.261 37.250 38.487 0.040 0.000 0.993 223 N HN 0.683 nan 8.380 nan 0.000 0.547 224 T N -1.672 112.924 114.554 0.071 0.000 2.618 224 T HA 0.701 5.051 4.350 0.000 0.000 0.286 224 T C -1.364 173.428 174.700 0.154 0.000 1.027 224 T CA -0.446 61.717 62.100 0.106 0.000 1.063 224 T CB 1.293 70.151 68.868 -0.015 0.000 1.440 224 T HN 0.200 nan 8.240 nan 0.000 0.505 225 Y N -1.435 118.866 120.300 0.001 0.000 2.705 225 Y HA 0.861 5.411 4.550 0.000 0.000 0.332 225 Y C -1.520 174.385 175.900 0.008 0.000 1.157 225 Y CA -1.274 56.831 58.100 0.007 0.000 1.091 225 Y CB 0.850 39.318 38.460 0.013 0.000 1.301 225 Y HN 0.340 nan 8.280 nan 0.000 0.488 226 V N 3.715 123.710 119.914 0.135 0.000 2.409 226 V HA 0.369 4.489 4.120 0.000 0.000 0.291 226 V C -0.142 176.050 176.094 0.164 0.000 1.020 226 V CA -0.863 61.461 62.300 0.041 0.000 0.848 226 V CB 1.314 33.161 31.823 0.040 0.000 0.990 226 V HN 0.810 nan 8.190 nan 0.000 0.430 227 M N 3.815 123.468 119.600 0.089 0.000 2.233 227 M HA 0.919 5.399 4.480 0.000 0.000 0.355 227 M C -0.359 176.019 176.300 0.130 0.000 1.191 227 M CA -0.280 55.112 55.300 0.154 0.000 1.101 227 M CB 1.559 34.245 32.600 0.143 0.000 1.592 227 M HN 0.547 nan 8.290 nan 0.000 0.461 228 A N 1.762 124.667 122.820 0.142 0.000 2.359 228 A HA 0.497 4.818 4.320 0.000 0.000 0.303 228 A C -1.428 176.259 177.584 0.172 0.000 1.066 228 A CA -0.684 51.444 52.037 0.152 0.000 0.730 228 A CB 0.657 19.723 19.000 0.111 0.000 1.211 228 A HN 0.986 nan 8.150 nan 0.000 0.439 229 H N 1.961 121.110 119.070 0.132 0.000 2.800 229 H HA 0.642 5.198 4.556 0.000 0.000 0.291 229 H C -0.170 175.169 175.328 0.019 0.000 1.076 229 H CA 0.738 56.865 56.048 0.132 0.000 1.452 229 H CB 0.592 30.497 29.762 0.237 0.000 1.461 229 H HN 0.915 nan 8.280 nan 0.000 0.488 230 A N 4.755 127.298 122.820 -0.461 0.000 2.547 230 A HA 0.372 4.693 4.320 0.000 0.000 0.297 230 A C -1.370 175.944 177.584 -0.449 0.000 1.056 230 A CA -0.724 51.065 52.037 -0.413 0.000 0.688 230 A CB 0.587 19.513 19.000 -0.124 0.000 1.282 230 A HN 0.698 nan 8.150 nan 0.000 0.400 231 Y N 0.844 121.033 120.300 -0.185 0.000 2.439 231 Y HA 0.147 4.698 4.550 0.000 0.000 0.281 231 Y C 2.083 177.947 175.900 -0.060 0.000 1.145 231 Y CA 1.444 59.474 58.100 -0.117 0.000 1.252 231 Y CB -0.214 38.152 38.460 -0.157 0.000 1.271 231 Y HN 0.733 nan 8.280 nan 0.000 0.516 232 T N -1.275 113.347 114.554 0.113 0.000 2.899 232 T HA 0.289 4.639 4.350 0.000 0.000 0.295 232 T C 1.596 176.319 174.700 0.038 0.000 1.033 232 T CA -0.031 62.100 62.100 0.052 0.000 1.084 232 T CB 1.420 70.303 68.868 0.026 0.000 0.979 232 T HN 0.407 nan 8.240 nan 0.000 0.532 233 G N 0.658 109.474 108.800 0.026 0.000 2.432 233 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 233 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 233 G C 1.510 176.424 174.900 0.023 0.000 1.135 233 G CA 0.648 45.763 45.100 0.026 0.000 0.767 233 G HN 0.862 nan 8.290 nan 0.000 0.550 234 R N 0.572 121.081 120.500 0.016 0.000 2.080 234 R HA -0.042 4.299 4.340 0.000 0.000 0.236 234 R C 2.802 179.113 176.300 0.017 0.000 1.137 234 R CA 1.739 57.848 56.100 0.015 0.000 0.943 234 R CB -0.467 29.839 30.300 0.010 0.000 0.846 234 R HN 0.258 nan 8.270 nan 0.000 0.431 235 A N 0.668 123.499 122.820 0.017 0.000 1.930 235 A HA -0.088 4.232 4.320 0.000 0.000 0.217 235 A C 2.163 179.756 177.584 0.015 0.000 1.175 235 A CA 1.277 53.324 52.037 0.016 0.000 0.627 235 A CB -0.387 18.618 19.000 0.008 0.000 0.815 235 A HN 0.399 nan 8.150 nan 0.000 0.443 236 I N -0.377 120.204 120.570 0.019 0.000 2.286 236 I HA -0.220 3.950 4.170 0.000 0.000 0.245 236 I C 2.958 179.087 176.117 0.021 0.000 1.104 236 I CA 0.878 62.194 61.300 0.026 0.000 1.397 236 I CB -0.295 37.738 38.000 0.054 0.000 1.072 236 I HN 0.338 nan 8.210 nan 0.000 0.417 237 A N 1.961 124.796 122.820 0.024 0.000 1.883 237 A HA -0.271 4.050 4.320 0.000 0.000 0.217 237 A C 2.306 179.887 177.584 -0.004 0.000 1.186 237 A CA 2.399 54.447 52.037 0.019 0.000 0.624 237 A CB -0.721 18.295 19.000 0.027 0.000 0.822 237 A HN 0.527 nan 8.150 nan 0.000 0.444 238 R N -0.273 120.228 120.500 0.003 0.000 2.148 238 R HA 0.260 4.600 4.340 0.000 0.000 0.223 238 R C 2.048 178.341 176.300 -0.012 0.000 1.088 238 R CA 1.370 57.469 56.100 -0.001 0.000 0.985 238 R CB -0.719 29.590 30.300 0.015 0.000 0.880 238 R HN 0.327 nan 8.270 nan 0.000 0.451 239 A N 1.280 124.097 122.820 -0.006 0.000 1.873 239 A HA -0.023 4.298 4.320 0.000 0.000 0.215 239 A C 2.342 179.895 177.584 -0.053 0.000 1.186 239 A CA 1.483 53.516 52.037 -0.006 0.000 0.616 239 A CB -0.539 18.471 19.000 0.016 0.000 0.823 239 A HN 0.151 nan 8.150 nan 0.000 0.442 240 V N -0.334 119.527 119.914 -0.087 0.000 2.548 240 V HA -0.141 3.979 4.120 0.000 0.000 0.249 240 V C 2.525 178.359 176.094 -0.433 0.000 1.055 240 V CA 1.839 64.021 62.300 -0.196 0.000 1.065 240 V CB -0.771 30.970 31.823 -0.137 0.000 0.681 240 V HN 0.486 nan 8.190 nan 0.000 0.462 241 R N -0.953 119.364 120.500 -0.305 0.000 2.148 241 R HA -0.098 4.242 4.340 0.000 0.000 0.227 241 R C 2.044 178.256 176.300 -0.147 0.000 1.103 241 R CA 1.428 57.371 56.100 -0.262 0.000 0.983 241 R CB -0.349 29.911 30.300 -0.067 0.000 0.874 241 R HN 0.462 nan 8.270 nan 0.000 0.451 242 C N -0.735 118.503 119.300 -0.104 0.000 2.562 242 C HA 0.220 4.681 4.460 0.000 0.000 0.266 242 C C 1.313 176.268 174.990 -0.058 0.000 1.382 242 C CA 0.652 59.636 59.018 -0.057 0.000 1.742 242 C CB -0.238 27.485 27.740 -0.029 0.000 1.812 242 C HN 0.785 nan 8.230 nan 0.000 0.559 243 G N 0.767 109.506 108.800 -0.101 0.000 2.145 243 G HA2 -0.134 3.826 3.960 0.000 0.000 0.176 243 G HA3 -0.134 3.826 3.960 0.000 0.000 0.176 243 G C 0.073 174.963 174.900 -0.016 0.000 1.013 243 G CA 0.207 45.267 45.100 -0.067 0.000 0.689 243 G HN 0.894 nan 8.290 nan 0.000 0.506 244 V N -1.814 118.091 119.914 -0.014 0.000 2.924 244 V HA 0.674 4.794 4.120 0.000 0.000 0.305 244 V C 1.454 177.589 176.094 0.068 0.000 1.073 244 V CA 0.639 62.967 62.300 0.046 0.000 1.098 244 V CB 1.472 33.326 31.823 0.053 0.000 1.000 244 V HN 0.350 nan 8.190 nan 0.000 0.484 245 R N 1.275 121.863 120.500 0.146 0.000 2.146 245 R HA 0.183 4.523 4.340 0.000 0.000 0.206 245 R C 0.765 177.175 176.300 0.182 0.000 1.049 245 R CA 0.984 57.173 56.100 0.148 0.000 1.029 245 R CB 0.228 30.609 30.300 0.134 0.000 0.949 245 R HN 1.028 nan 8.270 nan 0.000 0.471 246 T N -1.564 113.106 114.554 0.194 0.000 2.893 246 T HA 0.503 4.853 4.350 0.000 0.000 0.291 246 T C -0.430 174.335 174.700 0.107 0.000 1.028 246 T CA -0.902 61.297 62.100 0.164 0.000 0.995 246 T CB 1.975 70.935 68.868 0.153 0.000 1.051 246 T HN -0.137 nan 8.240 nan 0.000 0.470 247 I N 2.682 123.283 120.570 0.053 0.000 2.362 247 I HA 0.386 4.556 4.170 0.000 0.000 0.289 247 I C 0.145 176.243 176.117 -0.031 0.000 0.994 247 I CA -0.756 60.554 61.300 0.016 0.000 1.158 247 I CB 1.739 39.739 38.000 -0.001 0.000 1.315 247 I HN 0.749 nan 8.210 nan 0.000 0.451 248 E N 5.932 126.110 120.200 -0.036 0.000 2.349 248 E HA 0.262 4.613 4.350 0.000 0.000 0.265 248 E C 0.710 177.152 176.600 -0.262 0.000 1.064 248 E CA -0.274 55.995 56.400 -0.219 0.000 0.886 248 E CB 0.754 30.338 29.700 -0.194 0.000 1.036 248 E HN 0.531 nan 8.360 nan 0.000 0.413 249 H N 1.493 120.487 119.070 -0.127 0.000 2.828 249 H HA -0.314 4.242 4.556 0.000 0.000 0.088 249 H C 1.134 176.483 175.328 0.036 0.000 0.590 249 H CA 1.735 57.758 56.048 -0.042 0.000 1.697 249 H CB -1.446 28.235 29.762 -0.135 0.000 1.949 249 H HN 0.853 nan 8.280 nan 0.000 0.926 250 G N 2.019 110.893 108.800 0.123 0.000 2.225 250 G HA2 -0.375 3.585 3.960 0.000 0.000 0.267 250 G HA3 -0.375 3.585 3.960 0.000 0.000 0.267 250 G C 0.746 175.807 174.900 0.268 0.000 1.024 250 G CA 1.159 46.377 45.100 0.196 0.000 0.784 250 G HN 0.614 nan 8.290 nan 0.000 0.507 251 N N -0.268 118.604 118.700 0.286 0.000 2.149 251 N HA -0.040 4.700 4.740 0.000 0.000 0.188 251 N C 1.677 177.222 175.510 0.058 0.000 1.019 251 N CA 1.346 54.496 53.050 0.167 0.000 0.857 251 N CB -0.129 38.413 38.487 0.092 0.000 0.997 251 N HN 0.596 nan 8.380 nan 0.000 0.426 252 L N 0.763 122.030 121.223 0.073 0.000 3.108 252 L HA 0.312 4.652 4.340 0.000 0.000 0.251 252 L C -0.293 176.573 176.870 -0.006 0.000 1.315 252 L CA -0.554 54.286 54.840 -0.000 0.000 1.048 252 L CB 0.115 42.162 42.059 -0.020 0.000 1.432 252 L HN -0.130 nan 8.230 nan 0.000 0.543 253 V N -2.290 117.610 119.914 -0.022 0.000 3.096 253 V HA 0.170 4.290 4.120 0.000 0.000 0.306 253 V C 0.102 176.148 176.094 -0.080 0.000 1.088 253 V CA -0.686 61.585 62.300 -0.048 0.000 1.129 253 V CB 0.478 32.224 31.823 -0.129 0.000 1.014 253 V HN 0.490 nan 8.190 nan 0.000 0.486 254 D N 1.159 121.527 120.400 -0.054 0.000 2.384 254 D HA 0.355 4.995 4.640 0.000 0.000 0.250 254 D C 0.841 177.104 176.300 -0.062 0.000 1.029 254 D CA -0.474 53.492 54.000 -0.057 0.000 0.990 254 D CB 0.951 41.732 40.800 -0.031 0.000 1.175 254 D HN 0.643 nan 8.370 nan 0.000 0.532 255 E N 0.275 120.440 120.200 -0.058 0.000 2.347 255 E HA -0.150 4.200 4.350 0.000 0.000 0.196 255 E C 1.580 178.169 176.600 -0.018 0.000 1.008 255 E CA 0.755 57.125 56.400 -0.051 0.000 0.852 255 E CB -0.299 29.369 29.700 -0.052 0.000 0.783 255 E HN 0.506 nan 8.360 nan 0.000 0.505 256 A N 1.694 124.508 122.820 -0.009 0.000 1.970 256 A HA 0.247 4.567 4.320 0.000 0.000 0.216 256 A C 2.438 180.039 177.584 0.029 0.000 1.170 256 A CA 1.314 53.356 52.037 0.009 0.000 0.645 256 A CB -0.378 18.625 19.000 0.006 0.000 0.816 256 A HN 0.355 nan 8.150 nan 0.000 0.447 257 A N -0.086 122.751 122.820 0.029 0.000 1.929 257 A HA 0.268 4.588 4.320 0.000 0.000 0.216 257 A C 2.409 180.046 177.584 0.088 0.000 1.176 257 A CA 1.683 53.752 52.037 0.054 0.000 0.628 257 A CB -0.806 18.221 19.000 0.045 0.000 0.816 257 A HN 0.944 nan 8.150 nan 0.000 0.444 258 A N -0.520 122.346 122.820 0.077 0.000 2.014 258 A HA -0.067 4.253 4.320 0.000 0.000 0.218 258 A C 2.079 179.736 177.584 0.122 0.000 1.163 258 A CA 1.674 53.791 52.037 0.133 0.000 0.652 258 A CB -0.340 18.701 19.000 0.068 0.000 0.808 258 A HN 0.499 nan 8.150 nan 0.000 0.449 259 K N -0.803 119.643 120.400 0.077 0.000 2.097 259 K HA -0.057 4.264 4.320 0.000 0.000 0.205 259 K C 1.810 178.478 176.600 0.113 0.000 1.050 259 K CA 1.155 57.486 56.287 0.074 0.000 0.938 259 K CB -0.195 32.325 32.500 0.034 0.000 0.718 259 K HN 0.375 nan 8.250 nan 0.000 0.442 260 L N 1.001 122.292 121.223 0.112 0.000 2.141 260 L HA -0.075 4.266 4.340 0.000 0.000 0.209 260 L C 2.112 179.106 176.870 0.207 0.000 1.094 260 L CA 1.384 56.314 54.840 0.151 0.000 0.763 260 L CB -0.145 42.013 42.059 0.165 0.000 0.908 260 L HN 0.223 nan 8.230 nan 0.000 0.437 261 M N -1.667 118.032 119.600 0.164 0.000 2.117 261 M HA -0.244 4.236 4.480 0.000 0.000 0.262 261 M C 2.307 178.653 176.300 0.076 0.000 1.065 261 M CA 1.828 57.203 55.300 0.124 0.000 1.114 261 M CB -0.477 32.190 32.600 0.111 0.000 1.361 261 M HN 0.433 nan 8.290 nan 0.000 0.408 262 H N 0.341 119.417 119.070 0.009 0.000 2.352 262 H HA -0.142 4.415 4.556 0.000 0.000 0.299 262 H C 1.549 176.845 175.328 -0.053 0.000 1.097 262 H CA 2.054 58.081 56.048 -0.034 0.000 1.311 262 H CB 0.087 29.839 29.762 -0.017 0.000 1.377 262 H HN 0.394 nan 8.280 nan 0.000 0.504 263 E N -1.451 118.731 120.200 -0.030 0.000 2.427 263 E HA -0.084 4.266 4.350 0.000 0.000 0.196 263 E C 1.034 177.457 176.600 -0.295 0.000 1.028 263 E CA 0.618 56.924 56.400 -0.157 0.000 0.864 263 E CB 0.183 29.824 29.700 -0.099 0.000 0.813 263 E HN 0.709 nan 8.360 nan 0.000 0.514 264 H N -1.637 117.371 119.070 -0.103 0.000 2.740 264 H HA 0.218 4.774 4.556 0.000 0.000 0.265 264 H C 0.994 176.229 175.328 -0.155 0.000 0.978 264 H CA 0.459 56.447 56.048 -0.099 0.000 1.198 264 H CB 1.413 31.141 29.762 -0.057 0.000 1.467 264 H HN 0.198 nan 8.280 nan 0.000 0.511 265 G N 0.584 109.298 108.800 -0.143 0.000 2.149 265 G HA2 -0.213 3.747 3.960 0.000 0.000 0.235 265 G HA3 -0.213 3.747 3.960 0.000 0.000 0.235 265 G C 0.180 174.848 174.900 -0.386 0.000 1.018 265 G CA 0.127 45.056 45.100 -0.286 0.000 0.728 265 G HN 0.622 nan 8.290 nan 0.000 0.508 266 A N -0.443 122.228 122.820 -0.249 0.000 2.331 266 A HA 0.823 5.143 4.320 0.000 0.000 0.283 266 A C 0.156 177.556 177.584 -0.308 0.000 1.142 266 A CA -0.322 51.593 52.037 -0.204 0.000 0.812 266 A CB 0.497 19.469 19.000 -0.047 0.000 1.074 266 A HN 0.564 nan 8.150 nan 0.000 0.497 267 F N 0.861 120.768 119.950 -0.072 0.000 2.380 267 F HA 0.562 5.089 4.527 0.000 0.000 0.319 267 F C 0.345 176.063 175.800 -0.137 0.000 1.113 267 F CA -0.405 57.535 58.000 -0.100 0.000 1.056 267 F CB 1.495 40.430 39.000 -0.109 0.000 1.289 267 F HN 0.274 nan 8.300 nan 0.000 0.515 268 V N 1.407 121.319 119.914 -0.003 0.000 2.638 268 V HA 0.416 4.537 4.120 0.000 0.000 0.306 268 V C -0.911 175.098 176.094 -0.140 0.000 1.052 268 V CA -0.873 61.313 62.300 -0.189 0.000 0.885 268 V CB 1.747 33.188 31.823 -0.636 0.000 0.999 268 V HN 0.473 nan 8.190 nan 0.000 0.424 269 V N 6.005 125.849 119.914 -0.118 0.000 2.266 269 V HA 0.349 4.469 4.120 0.000 0.000 0.271 269 V C -2.419 173.570 176.094 -0.175 0.000 1.032 269 V CA -1.747 60.484 62.300 -0.114 0.000 0.806 269 V CB 1.139 32.929 31.823 -0.056 0.000 1.052 269 V HN 0.711 nan 8.190 nan 0.000 0.449 270 P HA 0.295 nan 4.420 nan 0.000 0.274 270 P C 0.089 177.313 177.300 -0.127 0.000 1.231 270 P CA 0.005 63.065 63.100 -0.066 0.000 0.790 270 P CB 0.569 32.284 31.700 0.024 0.000 0.951 271 T N -0.974 113.555 114.554 -0.041 0.000 3.317 271 T HA 0.349 4.700 4.350 0.000 0.000 0.361 271 T C 0.661 175.373 174.700 0.021 0.000 1.499 271 T CA -0.501 61.532 62.100 -0.112 0.000 1.529 271 T CB -0.910 67.828 68.868 -0.217 0.000 0.997 271 T HN 0.104 nan 8.240 nan 0.000 0.624 272 L N 1.239 122.481 121.223 0.032 0.000 2.418 272 L HA 0.149 4.490 4.340 0.000 0.000 0.218 272 L C 2.503 179.421 176.870 0.081 0.000 1.125 272 L CA 0.194 55.135 54.840 0.167 0.000 0.835 272 L CB -0.165 41.961 42.059 0.111 0.000 0.953 272 L HN 0.467 nan 8.230 nan 0.000 0.454 273 V N -0.587 119.302 119.914 -0.040 0.000 2.970 273 V HA -0.214 3.907 4.120 0.000 0.000 0.260 273 V C 2.477 178.519 176.094 -0.087 0.000 1.100 273 V CA 2.125 64.404 62.300 -0.036 0.000 1.122 273 V CB 0.111 31.928 31.823 -0.011 0.000 0.721 273 V HN 0.496 nan 8.190 nan 0.000 0.483 274 T N -1.217 113.218 114.554 -0.198 0.000 2.942 274 T HA -0.120 4.231 4.350 0.000 0.000 0.265 274 T C 1.581 176.117 174.700 -0.275 0.000 1.062 274 T CA 1.598 63.533 62.100 -0.276 0.000 1.139 274 T CB -0.235 68.419 68.868 -0.357 0.000 0.883 274 T HN 0.640 nan 8.240 nan 0.000 0.468 275 Y N 1.441 121.738 120.300 -0.005 0.000 2.314 275 Y HA 0.104 4.654 4.550 0.000 0.000 0.293 275 Y C 2.323 178.182 175.900 -0.068 0.000 1.129 275 Y CA 0.654 58.738 58.100 -0.026 0.000 1.201 275 Y CB -0.413 38.037 38.460 -0.016 0.000 0.999 275 Y HN 0.242 nan 8.280 nan 0.000 0.541 276 D N -0.258 120.174 120.400 0.052 0.000 2.224 276 D HA -0.053 4.587 4.640 0.000 0.000 0.205 276 D C 2.150 178.349 176.300 -0.169 0.000 0.965 276 D CA 1.110 55.081 54.000 -0.047 0.000 0.852 276 D CB -0.308 40.471 40.800 -0.035 0.000 0.947 276 D HN 0.325 nan 8.370 nan 0.000 0.494 277 A N 0.460 123.165 122.820 -0.192 0.000 1.872 277 A HA -0.017 4.304 4.320 0.000 0.000 0.214 277 A C 2.119 179.602 177.584 -0.169 0.000 1.187 277 A CA 0.606 52.483 52.037 -0.267 0.000 0.614 277 A CB -0.666 18.203 19.000 -0.219 0.000 0.826 277 A HN 0.196 nan 8.150 nan 0.000 0.442 278 L N -0.487 120.687 121.223 -0.082 0.000 2.551 278 L HA -0.056 4.284 4.340 0.000 0.000 0.228 278 L C 2.764 179.589 176.870 -0.076 0.000 1.153 278 L CA 0.414 55.230 54.840 -0.039 0.000 0.851 278 L CB -0.406 41.663 42.059 0.017 0.000 0.959 278 L HN 0.464 nan 8.230 nan 0.000 0.451 279 A N 0.355 123.105 122.820 -0.116 0.000 1.840 279 A HA -0.160 4.161 4.320 0.000 0.000 0.214 279 A C 2.294 179.743 177.584 -0.225 0.000 1.198 279 A CA 1.366 53.323 52.037 -0.133 0.000 0.608 279 A CB -0.214 18.719 19.000 -0.113 0.000 0.839 279 A HN 0.138 nan 8.150 nan 0.000 0.443 280 K N -0.145 120.016 120.400 -0.398 0.000 2.062 280 K HA -0.018 4.302 4.320 0.000 0.000 0.205 280 K C 0.067 176.264 176.600 -0.670 0.000 1.051 280 K CA 1.173 57.094 56.287 -0.609 0.000 0.941 280 K CB -0.012 31.936 32.500 -0.920 0.000 0.719 280 K HN 0.694 nan 8.250 nan 0.000 0.440 281 H N -1.330 117.589 119.070 -0.252 0.000 2.423 281 H HA 0.346 4.902 4.556 0.000 0.000 0.237 281 H C 0.569 175.764 175.328 -0.221 0.000 1.391 281 H CA -0.199 55.608 56.048 -0.402 0.000 1.453 281 H CB 0.757 30.036 29.762 -0.806 0.000 1.484 281 H HN 0.201 nan 8.280 nan 0.000 0.505 282 G N 1.069 109.820 108.800 -0.082 0.000 2.618 282 G HA2 0.090 4.050 3.960 0.000 0.000 0.222 282 G HA3 0.090 4.050 3.960 0.000 0.000 0.222 282 G C 1.418 176.331 174.900 0.022 0.000 1.520 282 G CA 0.525 45.618 45.100 -0.013 0.000 0.930 282 G HN 0.488 nan 8.290 nan 0.000 0.547 283 A N 0.004 122.826 122.820 0.004 0.000 2.167 283 A HA 0.158 4.478 4.320 0.000 0.000 0.214 283 A C 1.975 179.575 177.584 0.026 0.000 1.151 283 A CA 1.660 53.711 52.037 0.024 0.000 0.735 283 A CB -0.331 18.676 19.000 0.012 0.000 0.802 283 A HN 0.534 nan 8.150 nan 0.000 0.467 284 E N -0.932 119.254 120.200 -0.024 0.000 2.110 284 E HA -0.163 4.187 4.350 0.000 0.000 0.193 284 E C 0.144 176.764 176.600 0.034 0.000 0.988 284 E CA 0.956 57.315 56.400 -0.070 0.000 0.804 284 E CB -0.091 29.482 29.700 -0.211 0.000 0.745 284 E HN 0.549 nan 8.360 nan 0.000 0.458 285 F N -0.357 119.630 119.950 0.062 0.000 2.668 285 F HA 0.333 4.860 4.527 0.000 0.000 0.297 285 F C 1.231 177.045 175.800 0.023 0.000 1.124 285 F CA 0.322 58.346 58.000 0.041 0.000 1.353 285 F CB 0.709 39.738 39.000 0.048 0.000 0.992 285 F HN 0.135 nan 8.300 nan 0.000 0.524 286 G N 0.587 109.499 108.800 0.187 0.000 2.132 286 G HA2 -0.320 3.640 3.960 0.000 0.000 0.234 286 G HA3 -0.320 3.640 3.960 0.000 0.000 0.234 286 G C 0.363 175.305 174.900 0.071 0.000 0.989 286 G CA 0.018 45.181 45.100 0.105 0.000 0.676 286 G HN 0.334 nan 8.290 nan 0.000 0.522 287 M N 1.781 121.427 119.600 0.078 0.000 2.235 287 M HA 0.471 4.951 4.480 0.000 0.000 0.351 287 M C -1.664 174.662 176.300 0.043 0.000 1.178 287 M CA -1.841 53.493 55.300 0.055 0.000 1.143 287 M CB 0.739 33.377 32.600 0.064 0.000 1.530 287 M HN -0.031 nan 8.290 nan 0.000 0.461 288 P HA 0.032 nan 4.420 nan 0.000 0.264 288 P C -2.464 174.855 177.300 0.032 0.000 1.183 288 P CA -0.787 62.334 63.100 0.035 0.000 0.763 288 P CB -0.251 31.476 31.700 0.044 0.000 0.807 289 P HA -0.175 nan 4.420 nan 0.000 0.218 289 P C 1.394 178.702 177.300 0.013 0.000 1.148 289 P CA 1.464 64.573 63.100 0.015 0.000 0.822 289 P CB -0.103 31.603 31.700 0.010 0.000 0.784 290 E N -0.543 119.668 120.200 0.018 0.000 2.347 290 E HA -0.045 4.305 4.350 0.000 0.000 0.196 290 E C 1.413 178.026 176.600 0.021 0.000 1.008 290 E CA 1.055 57.464 56.400 0.015 0.000 0.852 290 E CB -0.894 28.816 29.700 0.017 0.000 0.783 290 E HN 0.159 nan 8.360 nan 0.000 0.505 291 S N 0.831 116.553 115.700 0.036 0.000 2.395 291 S HA -0.025 4.445 4.470 0.000 0.000 0.225 291 S C 2.154 176.776 174.600 0.037 0.000 1.027 291 S CA 0.919 59.150 58.200 0.051 0.000 0.965 291 S CB -0.023 63.222 63.200 0.076 0.000 0.812 291 S HN 0.169 nan 8.310 nan 0.000 0.482 292 V N 2.118 122.048 119.914 0.026 0.000 2.667 292 V HA -0.060 4.061 4.120 0.000 0.000 0.252 292 V C 2.532 178.623 176.094 -0.005 0.000 1.065 292 V CA 1.408 63.715 62.300 0.012 0.000 1.083 292 V CB -1.211 30.615 31.823 0.004 0.000 0.692 292 V HN 0.507 nan 8.190 nan 0.000 0.468 293 A N -0.327 122.488 122.820 -0.008 0.000 2.014 293 A HA -0.132 4.188 4.320 0.000 0.000 0.218 293 A C 2.291 179.855 177.584 -0.034 0.000 1.163 293 A CA 1.372 53.397 52.037 -0.021 0.000 0.652 293 A CB -0.299 18.691 19.000 -0.017 0.000 0.808 293 A HN 0.498 nan 8.150 nan 0.000 0.449 294 K N -0.837 119.546 120.400 -0.028 0.000 2.365 294 K HA 0.110 4.430 4.320 0.000 0.000 0.197 294 K C 1.462 178.017 176.600 -0.075 0.000 1.042 294 K CA 0.587 56.840 56.287 -0.056 0.000 0.987 294 K CB 0.112 32.587 32.500 -0.043 0.000 0.779 294 K HN 0.271 nan 8.250 nan 0.000 0.484 295 V N 0.778 120.677 119.914 -0.026 0.000 3.129 295 V HA -0.024 4.097 4.120 0.000 0.000 0.259 295 V C 1.828 177.896 176.094 -0.042 0.000 1.116 295 V CA 1.133 63.439 62.300 0.010 0.000 1.127 295 V CB 0.065 31.943 31.823 0.092 0.000 0.742 295 V HN 0.256 nan 8.190 nan 0.000 0.474 296 A N 0.014 122.797 122.820 -0.061 0.000 2.066 296 A HA -0.096 4.224 4.320 0.000 0.000 0.218 296 A C 2.382 179.902 177.584 -0.106 0.000 1.157 296 A CA 1.822 53.816 52.037 -0.071 0.000 0.670 296 A CB -0.317 18.647 19.000 -0.059 0.000 0.804 296 A HN 0.712 nan 8.150 nan 0.000 0.453 297 S N -0.408 115.207 115.700 -0.142 0.000 2.475 297 S HA -0.011 4.459 4.470 0.000 0.000 0.224 297 S C 1.613 176.072 174.600 -0.234 0.000 1.042 297 S CA 0.828 58.929 58.200 -0.165 0.000 0.935 297 S CB -0.735 62.373 63.200 -0.153 0.000 0.801 297 S HN 0.626 nan 8.310 nan 0.000 0.509 298 V N 1.833 121.539 119.914 -0.347 0.000 2.719 298 V HA -0.133 3.987 4.120 0.000 0.000 0.252 298 V C 2.601 178.402 176.094 -0.488 0.000 1.065 298 V CA 1.278 63.275 62.300 -0.505 0.000 1.086 298 V CB -1.631 29.695 31.823 -0.829 0.000 0.700 298 V HN 0.637 nan 8.190 nan 0.000 0.467 299 Q N 0.320 119.882 119.800 -0.396 0.000 2.167 299 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 299 Q C 2.147 178.066 176.000 -0.136 0.000 0.970 299 Q CA 1.360 57.022 55.803 -0.235 0.000 0.855 299 Q CB -0.554 28.131 28.738 -0.088 0.000 0.911 299 Q HN 0.585 nan 8.270 nan 0.000 0.438 300 Q N 1.432 121.153 119.800 -0.132 0.000 2.045 300 Q HA -0.145 4.195 4.340 0.000 0.000 0.206 300 Q C 1.205 177.156 176.000 -0.081 0.000 0.991 300 Q CA 1.545 57.292 55.803 -0.092 0.000 0.851 300 Q CB -0.225 28.457 28.738 -0.093 0.000 0.911 300 Q HN 0.265 nan 8.270 nan 0.000 0.418 301 K N 0.296 120.636 120.400 -0.099 0.000 2.469 301 K HA 0.135 4.456 4.320 0.000 0.000 0.201 301 K C 1.461 178.022 176.600 -0.064 0.000 1.028 301 K CA 0.319 56.558 56.287 -0.081 0.000 1.170 301 K CB -0.074 32.374 32.500 -0.086 0.000 0.874 301 K HN 0.303 nan 8.250 nan 0.000 0.507 302 G N 0.539 109.303 108.800 -0.061 0.000 2.424 302 G HA2 -0.209 3.751 3.960 0.000 0.000 0.214 302 G HA3 -0.209 3.751 3.960 0.000 0.000 0.214 302 G C 1.378 176.290 174.900 0.021 0.000 1.202 302 G CA 0.172 45.264 45.100 -0.014 0.000 0.793 302 G HN 0.251 nan 8.290 nan 0.000 0.534 303 R N 0.240 120.746 120.500 0.010 0.000 2.148 303 R HA 0.049 4.390 4.340 0.000 0.000 0.227 303 R C 2.367 178.669 176.300 0.003 0.000 1.103 303 R CA 0.995 57.106 56.100 0.018 0.000 0.983 303 R CB -0.163 30.146 30.300 0.014 0.000 0.874 303 R HN 0.469 nan 8.270 nan 0.000 0.451 304 E N 0.696 120.884 120.200 -0.021 0.000 2.077 304 E HA -0.178 4.172 4.350 0.000 0.000 0.193 304 E C 1.952 178.509 176.600 -0.072 0.000 0.989 304 E CA 1.676 58.050 56.400 -0.043 0.000 0.800 304 E CB 0.116 29.783 29.700 -0.055 0.000 0.746 304 E HN 0.309 nan 8.360 nan 0.000 0.452 305 S N 0.050 115.701 115.700 -0.082 0.000 2.402 305 S HA -0.144 4.326 4.470 0.000 0.000 0.229 305 S C 1.949 176.449 174.600 -0.167 0.000 1.021 305 S CA 0.611 58.691 58.200 -0.201 0.000 0.974 305 S CB -0.282 62.844 63.200 -0.123 0.000 0.800 305 S HN 0.142 nan 8.310 nan 0.000 0.484 306 L N 2.231 123.482 121.223 0.046 0.000 2.042 306 L HA -0.063 4.278 4.340 0.000 0.000 0.210 306 L C 2.711 179.634 176.870 0.088 0.000 1.076 306 L CA 1.828 56.757 54.840 0.148 0.000 0.749 306 L CB -1.080 41.043 42.059 0.106 0.000 0.893 306 L HN 0.451 nan 8.230 nan 0.000 0.432 307 E N -0.704 119.503 120.200 0.012 0.000 2.072 307 E HA -0.202 4.149 4.350 0.000 0.000 0.191 307 E C 2.316 178.893 176.600 -0.038 0.000 0.985 307 E CA 1.239 57.636 56.400 -0.005 0.000 0.801 307 E CB -0.200 29.489 29.700 -0.019 0.000 0.750 307 E HN 0.462 nan 8.360 nan 0.000 0.452 308 I N 0.518 121.011 120.570 -0.128 0.000 2.208 308 I HA -0.298 3.872 4.170 0.000 0.000 0.245 308 I C 2.102 178.124 176.117 -0.159 0.000 1.097 308 I CA 1.289 62.470 61.300 -0.198 0.000 1.363 308 I CB -0.380 37.420 38.000 -0.333 0.000 1.051 308 I HN 0.103 nan 8.210 nan 0.000 0.413 309 Y N 0.793 121.098 120.300 0.008 0.000 2.200 309 Y HA -0.131 4.420 4.550 0.000 0.000 0.290 309 Y C 2.662 178.568 175.900 0.010 0.000 1.137 309 Y CA 0.933 59.042 58.100 0.015 0.000 1.163 309 Y CB -1.056 37.419 38.460 0.026 0.000 0.988 309 Y HN 0.096 nan 8.280 nan 0.000 0.518 310 A N 0.442 123.354 122.820 0.153 0.000 1.930 310 A HA -0.181 4.139 4.320 0.000 0.000 0.217 310 A C 2.028 179.634 177.584 0.037 0.000 1.175 310 A CA 1.751 53.841 52.037 0.088 0.000 0.627 310 A CB -0.612 18.431 19.000 0.071 0.000 0.815 310 A HN 0.423 nan 8.150 nan 0.000 0.443 311 N N 0.667 119.374 118.700 0.012 0.000 2.142 311 N HA -0.068 4.672 4.740 0.000 0.000 0.186 311 N C 1.688 177.174 175.510 -0.040 0.000 1.023 311 N CA 1.622 54.660 53.050 -0.019 0.000 0.852 311 N CB -0.540 37.928 38.487 -0.031 0.000 0.998 311 N HN 0.464 nan 8.380 nan 0.000 0.424 312 A N -0.052 122.754 122.820 -0.023 0.000 2.123 312 A HA 0.376 4.696 4.320 0.000 0.000 0.214 312 A C 1.212 178.727 177.584 -0.115 0.000 1.152 312 A CA 0.774 52.778 52.037 -0.056 0.000 0.728 312 A CB -0.421 18.589 19.000 0.017 0.000 0.814 312 A HN 0.326 nan 8.150 nan 0.000 0.464 313 G N -0.619 108.167 108.800 -0.024 0.000 2.326 313 G HA2 -0.080 3.880 3.960 0.000 0.000 0.286 313 G HA3 -0.080 3.880 3.960 0.000 0.000 0.286 313 G C -0.256 174.737 174.900 0.154 0.000 1.096 313 G CA 0.044 45.156 45.100 0.019 0.000 1.003 313 G HN 1.007 nan 8.290 nan 0.000 0.503 314 V N -0.089 119.906 119.914 0.135 0.000 2.357 314 V HA 0.459 4.579 4.120 0.000 0.000 0.284 314 V C 0.607 176.730 176.094 0.047 0.000 1.018 314 V CA -1.383 60.973 62.300 0.092 0.000 0.841 314 V CB 1.574 33.470 31.823 0.121 0.000 0.991 314 V HN 0.403 nan 8.190 nan 0.000 0.437 315 K N 4.779 125.191 120.400 0.019 0.000 2.447 315 K HA 0.325 4.646 4.320 0.000 0.000 0.281 315 K C -0.336 176.337 176.600 0.121 0.000 1.031 315 K CA 0.659 57.011 56.287 0.109 0.000 1.019 315 K CB 0.242 32.873 32.500 0.218 0.000 0.918 315 K HN 0.617 nan 8.250 nan 0.000 0.476 316 M N 2.005 121.655 119.600 0.083 0.000 2.268 316 M HA 0.334 4.814 4.480 0.000 0.000 0.344 316 M C 0.472 176.804 176.300 0.053 0.000 1.106 316 M CA -0.492 54.822 55.300 0.024 0.000 1.010 316 M CB 2.086 34.689 32.600 0.005 0.000 1.649 316 M HN 0.756 nan 8.290 nan 0.000 0.443 317 G N 1.513 110.327 108.800 0.024 0.000 2.511 317 G HA2 0.587 4.547 3.960 0.000 0.000 0.316 317 G HA3 0.587 4.547 3.960 0.000 0.000 0.316 317 G C -1.726 173.211 174.900 0.060 0.000 1.210 317 G CA -0.472 44.655 45.100 0.044 0.000 0.969 317 G HN 0.601 nan 8.290 nan 0.000 0.492 318 F N 0.604 120.528 119.950 -0.043 0.000 2.410 318 F HA 0.624 5.151 4.527 0.000 0.000 0.349 318 F C 0.482 176.256 175.800 -0.043 0.000 1.117 318 F CA -0.130 57.823 58.000 -0.078 0.000 1.104 318 F CB 1.393 40.323 39.000 -0.117 0.000 1.122 318 F HN 0.574 nan 8.300 nan 0.000 0.483 319 G N 2.591 111.126 108.800 -0.441 0.000 2.667 319 G HA2 0.417 4.377 3.960 0.000 0.000 0.298 319 G HA3 0.417 4.377 3.960 0.000 0.000 0.298 319 G C -0.608 174.064 174.900 -0.380 0.000 1.377 319 G CA -0.209 44.746 45.100 -0.242 0.000 0.964 319 G HN 0.728 nan 8.290 nan 0.000 0.493 320 S N 0.305 115.901 115.700 -0.174 0.000 2.591 320 S HA 0.166 4.636 4.470 0.000 0.000 0.235 320 S C 0.871 175.423 174.600 -0.081 0.000 1.074 320 S CA 1.048 59.166 58.200 -0.135 0.000 0.925 320 S CB 0.030 63.204 63.200 -0.043 0.000 0.818 320 S HN 0.828 nan 8.310 nan 0.000 0.535 321 D N 0.723 121.132 120.400 0.014 0.000 2.751 321 D HA -0.130 4.511 4.640 0.000 0.000 0.233 321 D C -0.777 175.541 176.300 0.031 0.000 1.149 321 D CA 0.347 54.413 54.000 0.110 0.000 0.682 321 D CB -1.932 38.905 40.800 0.061 0.000 1.068 321 D HN 0.533 nan 8.370 nan 0.000 0.429 322 L N -0.102 121.084 121.223 -0.062 0.000 2.375 322 L HA 0.501 4.841 4.340 0.000 0.000 0.271 322 L C 0.583 177.176 176.870 -0.461 0.000 1.107 322 L CA -0.668 54.047 54.840 -0.207 0.000 0.806 322 L CB 0.979 42.935 42.059 -0.171 0.000 1.146 322 L HN 0.024 nan 8.230 nan 0.000 0.447 323 L N 1.925 122.965 121.223 -0.304 0.000 2.346 323 L HA 0.739 5.080 4.340 0.000 0.000 0.276 323 L C 0.780 177.552 176.870 -0.163 0.000 1.006 323 L CA -0.490 54.216 54.840 -0.224 0.000 0.817 323 L CB 1.464 43.487 42.059 -0.060 0.000 1.272 323 L HN 0.844 nan 8.230 nan 0.000 0.421 324 G N 2.084 110.859 108.800 -0.043 0.000 2.556 324 G HA2 -0.298 3.662 3.960 0.000 0.000 0.283 324 G HA3 -0.298 3.662 3.960 0.000 0.000 0.283 324 G C 0.672 175.575 174.900 0.006 0.000 1.177 324 G CA 0.445 45.546 45.100 0.002 0.000 0.978 324 G HN 0.881 nan 8.290 nan 0.000 0.554 325 E N 0.716 120.809 120.200 -0.178 0.000 2.511 325 E HA 0.100 4.450 4.350 0.000 0.000 0.196 325 E C 2.344 178.912 176.600 -0.053 0.000 1.066 325 E CA 1.056 57.325 56.400 -0.217 0.000 0.871 325 E CB -0.072 29.327 29.700 -0.502 0.000 0.863 325 E HN 0.637 nan 8.360 nan 0.000 0.520 326 M N 0.324 119.966 119.600 0.069 0.000 2.618 326 M HA 0.035 4.515 4.480 0.000 0.000 0.240 326 M C 1.215 177.697 176.300 0.303 0.000 1.123 326 M CA 0.499 56.013 55.300 0.356 0.000 1.060 326 M CB -0.251 32.528 32.600 0.298 0.000 1.535 326 M HN 0.167 nan 8.290 nan 0.000 0.507 327 H N -0.396 118.758 119.070 0.140 0.000 2.489 327 H HA -0.042 4.515 4.556 0.000 0.000 0.293 327 H C 2.059 177.429 175.328 0.070 0.000 1.066 327 H CA 1.248 57.350 56.048 0.090 0.000 1.305 327 H CB 0.263 30.043 29.762 0.030 0.000 1.386 327 H HN 0.453 nan 8.280 nan 0.000 0.551 328 A N -0.001 122.886 122.820 0.111 0.000 2.121 328 A HA -0.106 4.214 4.320 0.000 0.000 0.218 328 A C 1.320 178.843 177.584 -0.101 0.000 1.154 328 A CA 0.753 52.754 52.037 -0.060 0.000 0.679 328 A CB -0.611 18.251 19.000 -0.230 0.000 0.795 328 A HN 0.372 nan 8.150 nan 0.000 0.458 329 F N -0.129 119.905 119.950 0.140 0.000 2.804 329 F HA 0.036 4.563 4.527 0.000 0.000 0.303 329 F C 2.168 178.068 175.800 0.167 0.000 1.154 329 F CA 0.668 58.756 58.000 0.147 0.000 1.401 329 F CB -0.147 38.932 39.000 0.132 0.000 1.106 329 F HN 0.357 nan 8.300 nan 0.000 0.568 330 Q N 0.083 120.065 119.800 0.303 0.000 2.112 330 Q HA -0.204 4.136 4.340 0.000 0.000 0.206 330 Q C 2.116 178.395 176.000 0.465 0.000 0.987 330 Q CA 1.953 57.924 55.803 0.281 0.000 0.858 330 Q CB -0.104 28.727 28.738 0.156 0.000 0.905 330 Q HN 0.278 nan 8.270 nan 0.000 0.420 331 S N -0.517 115.500 115.700 0.528 0.000 2.481 331 S HA -0.029 4.441 4.470 0.000 0.000 0.231 331 S C 1.571 176.508 174.600 0.561 0.000 0.996 331 S CA 0.641 59.238 58.200 0.662 0.000 0.942 331 S CB -0.129 63.347 63.200 0.460 0.000 0.768 331 S HN 0.649 nan 8.310 nan 0.000 0.520 332 G N 1.107 110.148 108.800 0.403 0.000 2.498 332 G HA2 -0.214 3.746 3.960 0.000 0.000 0.219 332 G HA3 -0.214 3.746 3.960 0.000 0.000 0.219 332 G C 1.190 176.241 174.900 0.252 0.000 1.119 332 G CA 0.901 46.191 45.100 0.318 0.000 0.766 332 G HN 0.535 nan 8.290 nan 0.000 0.552 333 E N -0.054 120.280 120.200 0.223 0.000 2.152 333 E HA -0.026 4.324 4.350 0.000 0.000 0.192 333 E C 1.842 178.513 176.600 0.119 0.000 0.983 333 E CA 0.422 56.824 56.400 0.003 0.000 0.818 333 E CB -0.350 29.090 29.700 -0.433 0.000 0.758 333 E HN 0.403 nan 8.360 nan 0.000 0.467 334 F N 0.765 120.954 119.950 0.399 0.000 2.095 334 F HA -0.133 4.394 4.527 0.000 0.000 0.298 334 F C 2.586 178.474 175.800 0.148 0.000 1.104 334 F CA 1.709 59.887 58.000 0.297 0.000 1.232 334 F CB -0.366 38.701 39.000 0.111 0.000 0.987 334 F HN 0.024 nan 8.300 nan 0.000 0.475 335 R N 0.627 121.321 120.500 0.322 0.000 2.070 335 R HA -0.154 4.186 4.340 0.000 0.000 0.232 335 R C 2.345 178.732 176.300 0.144 0.000 1.138 335 R CA 1.875 58.092 56.100 0.195 0.000 0.936 335 R CB -0.707 29.693 30.300 0.167 0.000 0.839 335 R HN 0.248 nan 8.270 nan 0.000 0.429 336 I N 0.542 121.187 120.570 0.124 0.000 2.185 336 I HA -0.357 3.813 4.170 0.000 0.000 0.246 336 I C 2.588 178.747 176.117 0.069 0.000 1.088 336 I CA 1.573 62.921 61.300 0.080 0.000 1.347 336 I CB -0.255 37.779 38.000 0.056 0.000 1.041 336 I HN 0.255 nan 8.210 nan 0.000 0.415 337 R N 0.401 120.947 120.500 0.076 0.000 2.073 337 R HA -0.047 4.293 4.340 0.000 0.000 0.229 337 R C 2.466 178.823 176.300 0.095 0.000 1.120 337 R CA 1.310 57.455 56.100 0.074 0.000 0.967 337 R CB -0.409 29.933 30.300 0.071 0.000 0.862 337 R HN 0.347 nan 8.270 nan 0.000 0.436 338 A N 1.306 124.199 122.820 0.122 0.000 1.972 338 A HA -0.186 4.134 4.320 0.000 0.000 0.219 338 A C 1.845 179.476 177.584 0.078 0.000 1.169 338 A CA 1.255 53.356 52.037 0.108 0.000 0.635 338 A CB -0.298 18.775 19.000 0.122 0.000 0.810 338 A HN 0.320 nan 8.150 nan 0.000 0.446 339 E N -0.530 119.714 120.200 0.073 0.000 2.038 339 E HA -0.161 4.189 4.350 0.000 0.000 0.195 339 E C 1.980 178.608 176.600 0.048 0.000 1.000 339 E CA 1.650 58.084 56.400 0.056 0.000 0.803 339 E CB -0.211 29.521 29.700 0.052 0.000 0.750 339 E HN 0.427 nan 8.360 nan 0.000 0.448 340 V N 0.730 120.674 119.914 0.050 0.000 2.446 340 V HA -0.136 3.984 4.120 0.000 0.000 0.244 340 V C 1.994 178.115 176.094 0.046 0.000 1.039 340 V CA 1.213 63.539 62.300 0.043 0.000 1.045 340 V CB -0.095 31.753 31.823 0.042 0.000 0.681 340 V HN 0.247 nan 8.190 nan 0.000 0.459 341 L N -0.504 120.753 121.223 0.057 0.000 2.664 341 L HA 0.515 4.855 4.340 0.000 0.000 0.233 341 L C 0.948 177.853 176.870 0.058 0.000 1.113 341 L CA 0.609 55.484 54.840 0.059 0.000 0.896 341 L CB -0.010 42.091 42.059 0.070 0.000 1.163 341 L HN 0.514 nan 8.230 nan 0.000 0.497 342 G N 1.015 109.852 108.800 0.061 0.000 2.692 342 G HA2 -0.230 3.730 3.960 0.000 0.000 0.686 342 G HA3 -0.230 3.730 3.960 0.000 0.000 0.686 342 G C 0.196 175.139 174.900 0.071 0.000 1.243 342 G CA -0.123 45.012 45.100 0.057 0.000 0.782 342 G HN 0.297 nan 8.290 nan 0.000 0.625 343 N N 0.363 119.102 118.700 0.066 0.000 2.166 343 N HA -0.140 4.600 4.740 0.000 0.000 0.186 343 N C 2.366 177.921 175.510 0.076 0.000 1.019 343 N CA 1.219 54.314 53.050 0.075 0.000 0.856 343 N CB 0.304 38.822 38.487 0.050 0.000 0.993 343 N HN 0.504 nan 8.380 nan 0.000 0.426 344 L N 1.362 122.621 121.223 0.059 0.000 2.046 344 L HA -0.160 4.180 4.340 0.000 0.000 0.208 344 L C 2.369 179.283 176.870 0.074 0.000 1.077 344 L CA 1.624 56.498 54.840 0.056 0.000 0.747 344 L CB -0.128 41.957 42.059 0.043 0.000 0.896 344 L HN 0.071 nan 8.230 nan 0.000 0.432 345 E N -0.056 120.191 120.200 0.078 0.000 2.152 345 E HA -0.109 4.241 4.350 0.000 0.000 0.192 345 E C 1.976 178.644 176.600 0.114 0.000 0.983 345 E CA 1.176 57.629 56.400 0.087 0.000 0.818 345 E CB -0.025 29.722 29.700 0.078 0.000 0.758 345 E HN 0.512 nan 8.360 nan 0.000 0.467 346 A N 0.053 122.953 122.820 0.134 0.000 1.969 346 A HA -0.073 4.247 4.320 0.000 0.000 0.218 346 A C 2.073 179.805 177.584 0.247 0.000 1.169 346 A CA 0.934 53.087 52.037 0.193 0.000 0.635 346 A CB -0.414 18.721 19.000 0.225 0.000 0.810 346 A HN 0.305 nan 8.150 nan 0.000 0.445 347 L N -1.585 119.754 121.223 0.194 0.000 2.270 347 L HA 0.007 4.347 4.340 0.000 0.000 0.210 347 L C 2.674 179.630 176.870 0.143 0.000 1.104 347 L CA 0.442 55.390 54.840 0.180 0.000 0.804 347 L CB -0.360 41.759 42.059 0.100 0.000 0.937 347 L HN 0.324 nan 8.230 nan 0.000 0.450 348 R N -0.130 120.441 120.500 0.119 0.000 2.115 348 R HA -0.084 4.256 4.340 0.000 0.000 0.230 348 R C 2.460 178.826 176.300 0.109 0.000 1.111 348 R CA 1.420 57.581 56.100 0.101 0.000 0.976 348 R CB -0.146 30.207 30.300 0.087 0.000 0.870 348 R HN 0.361 nan 8.270 nan 0.000 0.445 349 S N 0.933 116.711 115.700 0.130 0.000 2.370 349 S HA -0.149 4.321 4.470 0.000 0.000 0.226 349 S C 2.059 176.755 174.600 0.159 0.000 1.033 349 S CA 1.306 59.597 58.200 0.151 0.000 1.011 349 S CB -0.115 63.210 63.200 0.209 0.000 0.852 349 S HN 0.425 nan 8.310 nan 0.000 0.457 350 A N 1.368 124.243 122.820 0.092 0.000 2.072 350 A HA 0.102 4.423 4.320 0.000 0.000 0.216 350 A C 2.195 179.860 177.584 0.134 0.000 1.156 350 A CA 1.453 53.505 52.037 0.025 0.000 0.701 350 A CB -0.579 18.315 19.000 -0.177 0.000 0.816 350 A HN 0.636 nan 8.150 nan 0.000 0.458 351 T N -3.778 110.852 114.554 0.127 0.000 3.571 351 T HA 0.007 4.358 4.350 0.000 0.000 0.217 351 T C 1.952 176.696 174.700 0.074 0.000 0.925 351 T CA 1.416 63.585 62.100 0.115 0.000 1.376 351 T CB -1.039 67.900 68.868 0.117 0.000 1.375 351 T HN 0.331 nan 8.240 nan 0.000 0.404 352 T N 0.905 115.497 114.554 0.064 0.000 2.857 352 T HA 0.031 4.381 4.350 0.000 0.000 0.266 352 T C 2.098 176.819 174.700 0.034 0.000 1.048 352 T CA 1.085 63.213 62.100 0.046 0.000 1.139 352 T CB -1.023 67.874 68.868 0.048 0.000 0.874 352 T HN 0.185 nan 8.240 nan 0.000 0.455 353 V N 2.317 122.260 119.914 0.047 0.000 2.323 353 V HA 0.010 4.131 4.120 0.000 0.000 0.244 353 V C 3.288 179.348 176.094 -0.058 0.000 1.041 353 V CA 1.434 63.756 62.300 0.036 0.000 1.025 353 V CB -1.485 30.387 31.823 0.082 0.000 0.656 353 V HN 0.640 nan 8.190 nan 0.000 0.451 354 A N 0.352 123.163 122.820 -0.015 0.000 1.917 354 A HA -0.205 4.115 4.320 0.000 0.000 0.219 354 A C 2.391 179.920 177.584 -0.092 0.000 1.182 354 A CA 2.406 54.423 52.037 -0.034 0.000 0.633 354 A CB -0.850 18.192 19.000 0.070 0.000 0.819 354 A HN 0.602 nan 8.150 nan 0.000 0.448 355 A N -0.943 121.846 122.820 -0.051 0.000 2.015 355 A HA -0.117 4.203 4.320 0.000 0.000 0.219 355 A C 2.000 179.500 177.584 -0.140 0.000 1.163 355 A CA 1.616 53.614 52.037 -0.064 0.000 0.646 355 A CB -0.414 18.583 19.000 -0.005 0.000 0.806 355 A HN 0.677 nan 8.150 nan 0.000 0.448 356 E N -0.131 119.969 120.200 -0.167 0.000 2.072 356 E HA -0.115 4.235 4.350 0.000 0.000 0.190 356 E C 1.832 178.146 176.600 -0.478 0.000 0.982 356 E CA 0.885 57.154 56.400 -0.219 0.000 0.803 356 E CB -0.167 29.471 29.700 -0.103 0.000 0.755 356 E HN 0.673 nan 8.360 nan 0.000 0.453 357 I N 1.038 121.195 120.570 -0.688 0.000 2.208 357 I HA -0.236 3.935 4.170 0.000 0.000 0.245 357 I C 2.351 178.115 176.117 -0.588 0.000 1.097 357 I CA 1.134 61.906 61.300 -0.879 0.000 1.363 357 I CB -0.203 37.390 38.000 -0.678 0.000 1.051 357 I HN 0.150 nan 8.210 nan 0.000 0.413 358 V N -1.950 117.716 119.914 -0.414 0.000 3.630 358 V HA 0.150 4.270 4.120 0.000 0.000 0.273 358 V C 0.489 176.347 176.094 -0.393 0.000 1.248 358 V CA 0.321 62.343 62.300 -0.463 0.000 1.170 358 V CB -1.522 29.850 31.823 -0.752 0.000 0.899 358 V HN 0.644 nan 8.190 nan 0.000 0.457 359 N N 0.693 119.217 118.700 -0.293 0.000 2.756 359 N HA -0.143 4.597 4.740 0.000 0.000 0.248 359 N C 0.190 175.638 175.510 -0.104 0.000 1.062 359 N CA 0.822 53.772 53.050 -0.167 0.000 0.696 359 N CB -0.571 37.859 38.487 -0.095 0.000 0.946 359 N HN 0.450 nan 8.380 nan 0.000 0.548 360 M N 0.090 119.629 119.600 -0.100 0.000 3.002 360 M HA 0.064 4.544 4.480 0.000 0.000 0.398 360 M C 1.435 177.728 176.300 -0.012 0.000 1.366 360 M CA -0.063 55.221 55.300 -0.026 0.000 0.824 360 M CB 0.616 33.224 32.600 0.013 0.000 1.414 360 M HN 0.212 nan 8.290 nan 0.000 0.501 361 Q N -0.166 119.620 119.800 -0.024 0.000 2.045 361 Q HA -0.123 4.217 4.340 0.000 0.000 0.206 361 Q C 1.533 177.537 176.000 0.007 0.000 0.991 361 Q CA 2.474 58.270 55.803 -0.011 0.000 0.851 361 Q CB -1.187 27.547 28.738 -0.007 0.000 0.911 361 Q HN 0.547 nan 8.270 nan 0.000 0.418 362 G N -0.050 108.758 108.800 0.012 0.000 2.464 362 G HA2 -0.181 3.780 3.960 0.000 0.000 0.217 362 G HA3 -0.181 3.780 3.960 0.000 0.000 0.217 362 G C 1.374 176.287 174.900 0.021 0.000 1.138 362 G CA 0.495 45.606 45.100 0.017 0.000 0.793 362 G HN 0.297 nan 8.290 nan 0.000 0.539 363 Q N -0.781 119.035 119.800 0.026 0.000 2.204 363 Q HA 0.384 4.724 4.340 0.000 0.000 0.198 363 Q C 0.856 176.880 176.000 0.040 0.000 0.946 363 Q CA 0.441 56.266 55.803 0.036 0.000 0.859 363 Q CB 0.138 28.905 28.738 0.049 0.000 0.946 363 Q HN 0.373 nan 8.270 nan 0.000 0.474 364 L N -2.808 118.441 121.223 0.043 0.000 2.283 364 L HA 0.562 4.902 4.340 0.000 0.000 0.259 364 L C 0.651 177.544 176.870 0.039 0.000 1.027 364 L CA -0.382 54.488 54.840 0.050 0.000 0.828 364 L CB 1.974 44.085 42.059 0.086 0.000 1.380 364 L HN 0.279 nan 8.230 nan 0.000 0.425 365 G N 0.433 109.259 108.800 0.043 0.000 2.168 365 G HA2 -0.217 3.743 3.960 0.000 0.000 0.263 365 G HA3 -0.217 3.743 3.960 0.000 0.000 0.263 365 G C -0.443 174.478 174.900 0.035 0.000 0.977 365 G CA 0.447 45.574 45.100 0.046 0.000 0.659 365 G HN 0.497 nan 8.290 nan 0.000 0.533 366 V N 0.282 120.210 119.914 0.023 0.000 2.969 366 V HA 0.598 4.718 4.120 0.000 0.000 0.304 366 V C -0.403 175.696 176.094 0.008 0.000 1.192 366 V CA -1.089 61.220 62.300 0.016 0.000 0.962 366 V CB 1.818 33.652 31.823 0.019 0.000 1.045 366 V HN 0.326 nan 8.190 nan 0.000 0.428 367 I N 6.221 126.792 120.570 0.002 0.000 2.260 367 I HA 0.649 4.819 4.170 0.000 0.000 0.297 367 I C 0.427 176.548 176.117 0.007 0.000 1.143 367 I CA 0.322 61.622 61.300 -0.001 0.000 1.271 367 I CB 0.574 38.569 38.000 -0.010 0.000 1.461 367 I HN 0.708 nan 8.210 nan 0.000 0.530 368 A N 5.103 127.930 122.820 0.012 0.000 2.515 368 A HA 0.701 5.021 4.320 0.000 0.000 0.296 368 A C -0.584 177.010 177.584 0.018 0.000 1.094 368 A CA -0.577 51.470 52.037 0.016 0.000 0.718 368 A CB 1.549 20.559 19.000 0.016 0.000 1.307 368 A HN 0.207 nan 8.150 nan 0.000 0.408 369 V N 1.750 121.676 119.914 0.021 0.000 2.409 369 V HA 0.455 4.575 4.120 0.000 0.000 0.270 369 V C 1.381 177.485 176.094 0.017 0.000 1.019 369 V CA 1.888 64.200 62.300 0.020 0.000 1.066 369 V CB -0.270 31.566 31.823 0.022 0.000 1.021 369 V HN 2.000 nan 8.190 nan 0.000 0.476 370 G N 3.925 112.734 108.800 0.015 0.000 2.336 370 G HA2 -0.043 3.917 3.960 0.000 0.000 0.194 370 G HA3 -0.043 3.917 3.960 0.000 0.000 0.194 370 G C 0.415 175.324 174.900 0.015 0.000 0.999 370 G CA 0.041 45.150 45.100 0.014 0.000 0.669 370 G HN 1.244 nan 8.290 nan 0.000 0.482 371 A N 0.517 123.346 122.820 0.015 0.000 2.332 371 A HA 0.719 5.039 4.320 0.000 0.000 0.258 371 A C 0.727 178.319 177.584 0.014 0.000 1.087 371 A CA -0.130 51.917 52.037 0.017 0.000 0.802 371 A CB 0.170 19.180 19.000 0.016 0.000 1.042 371 A HN 0.800 nan 8.150 nan 0.000 0.489 372 I N 0.762 121.343 120.570 0.018 0.000 2.692 372 I HA 0.135 4.305 4.170 0.000 0.000 0.284 372 I C 1.182 177.301 176.117 0.003 0.000 1.159 372 I CA 0.209 61.517 61.300 0.013 0.000 1.423 372 I CB 0.904 38.918 38.000 0.023 0.000 1.380 372 I HN 0.662 nan 8.210 nan 0.000 0.580 373 A N 4.868 127.685 122.820 -0.006 0.000 3.051 373 A HA 0.139 4.459 4.320 0.000 0.000 0.257 373 A C -0.359 177.209 177.584 -0.026 0.000 1.785 373 A CA -0.264 51.763 52.037 -0.016 0.000 1.420 373 A CB -0.994 17.995 19.000 -0.018 0.000 1.063 373 A HN 0.624 nan 8.150 nan 0.000 0.630 374 D N 1.089 121.472 120.400 -0.027 0.000 2.456 374 D HA 0.517 5.158 4.640 0.000 0.000 0.219 374 D C -0.464 175.790 176.300 -0.078 0.000 1.126 374 D CA 0.466 54.439 54.000 -0.045 0.000 0.890 374 D CB 0.665 41.450 40.800 -0.025 0.000 1.025 374 D HN 0.382 nan 8.370 nan 0.000 0.511 375 L N 1.442 122.609 121.223 -0.094 0.000 2.381 375 L HA 0.599 4.939 4.340 0.000 0.000 0.268 375 L C -0.598 176.179 176.870 -0.156 0.000 0.997 375 L CA -1.148 53.624 54.840 -0.113 0.000 0.818 375 L CB 2.428 44.444 42.059 -0.073 0.000 1.310 375 L HN -0.074 nan 8.230 nan 0.000 0.416 376 V N 3.136 122.927 119.914 -0.205 0.000 2.409 376 V HA 0.374 4.494 4.120 0.000 0.000 0.291 376 V C -0.247 175.776 176.094 -0.118 0.000 1.020 376 V CA -0.648 61.510 62.300 -0.237 0.000 0.848 376 V CB 2.181 33.701 31.823 -0.506 0.000 0.990 376 V HN 0.394 nan 8.190 nan 0.000 0.430 377 V N 6.654 126.547 119.914 -0.035 0.000 2.383 377 V HA 0.447 4.567 4.120 0.000 0.000 0.275 377 V C -0.326 175.769 176.094 0.000 0.000 1.036 377 V CA -0.371 61.946 62.300 0.030 0.000 0.889 377 V CB 1.419 33.349 31.823 0.180 0.000 0.985 377 V HN 0.573 nan 8.190 nan 0.000 0.459 378 L N 4.578 125.791 121.223 -0.017 0.000 2.365 378 L HA 0.572 4.912 4.340 0.000 0.000 0.273 378 L C -0.492 176.365 176.870 -0.023 0.000 1.000 378 L CA -0.264 54.558 54.840 -0.031 0.000 0.819 378 L CB 1.994 44.031 42.059 -0.037 0.000 1.284 378 L HN 0.667 nan 8.230 nan 0.000 0.418 379 D N 3.048 123.431 120.400 -0.029 0.000 2.380 379 D HA 0.582 5.222 4.640 0.000 0.000 0.230 379 D C 0.131 176.416 176.300 -0.025 0.000 1.154 379 D CA 1.026 55.012 54.000 -0.024 0.000 0.859 379 D CB 0.478 41.261 40.800 -0.028 0.000 1.045 379 D HN 0.896 nan 8.370 nan 0.000 0.495 380 G N 2.967 111.753 108.800 -0.024 0.000 2.619 380 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 380 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 380 G C -0.644 174.239 174.900 -0.029 0.000 1.256 380 G CA -1.072 44.014 45.100 -0.024 0.000 0.826 380 G HN 0.552 nan 8.290 nan 0.000 0.619 381 N N 1.494 120.178 118.700 -0.027 0.000 2.430 381 N HA 0.405 5.146 4.740 0.000 0.000 0.265 381 N C -0.615 174.877 175.510 -0.030 0.000 1.100 381 N CA -1.671 51.362 53.050 -0.028 0.000 0.961 381 N CB 1.742 40.215 38.487 -0.023 0.000 1.075 381 N HN 0.225 nan 8.380 nan 0.000 0.478 382 P HA -0.072 nan 4.420 nan 0.000 0.220 382 P C 1.507 178.792 177.300 -0.026 0.000 1.152 382 P CA 0.345 63.416 63.100 -0.049 0.000 0.812 382 P CB 0.634 32.291 31.700 -0.071 0.000 0.792 383 L N 0.261 121.474 121.223 -0.015 0.000 2.141 383 L HA -0.084 4.256 4.340 0.000 0.000 0.209 383 L C 2.181 179.052 176.870 0.002 0.000 1.094 383 L CA 1.842 56.680 54.840 -0.002 0.000 0.763 383 L CB -1.143 40.914 42.059 -0.003 0.000 0.908 383 L HN -0.086 nan 8.230 nan 0.000 0.437 384 E N -1.465 118.733 120.200 -0.004 0.000 2.452 384 E HA 0.092 4.442 4.350 0.000 0.000 0.197 384 E C -0.173 176.428 176.600 0.002 0.000 1.022 384 E CA 0.236 56.636 56.400 -0.000 0.000 0.890 384 E CB 0.417 30.115 29.700 -0.003 0.000 0.918 384 E HN 0.276 nan 8.360 nan 0.000 0.496 385 D N -0.214 120.184 120.400 -0.003 0.000 2.333 385 D HA 0.099 4.739 4.640 0.000 0.000 0.225 385 D C -0.061 176.232 176.300 -0.012 0.000 1.345 385 D CA -0.328 53.671 54.000 -0.002 0.000 0.971 385 D CB 0.538 41.336 40.800 -0.004 0.000 1.451 385 D HN -0.200 nan 8.370 nan 0.000 0.561 386 I N 2.838 123.409 120.570 0.001 0.000 3.083 386 I HA 0.173 4.343 4.170 0.000 0.000 0.273 386 I C 1.971 178.079 176.117 -0.015 0.000 1.297 386 I CA 1.130 62.426 61.300 -0.008 0.000 1.452 386 I CB -0.044 37.986 38.000 0.050 0.000 1.078 386 I HN 0.594 nan 8.210 nan 0.000 0.484 387 G N -0.267 108.533 108.800 0.001 0.000 2.484 387 G HA2 -0.151 3.809 3.960 0.000 0.000 0.218 387 G HA3 -0.151 3.809 3.960 0.000 0.000 0.218 387 G C 1.618 176.508 174.900 -0.017 0.000 1.130 387 G CA 0.871 45.975 45.100 0.007 0.000 0.784 387 G HN 0.445 nan 8.290 nan 0.000 0.543 388 V N -1.393 118.497 119.914 -0.040 0.000 3.305 388 V HA 0.068 4.189 4.120 0.000 0.000 0.269 388 V C 1.977 178.017 176.094 -0.089 0.000 1.157 388 V CA 1.379 63.648 62.300 -0.051 0.000 1.157 388 V CB -0.023 31.771 31.823 -0.047 0.000 0.772 388 V HN 0.123 nan 8.190 nan 0.000 0.498 389 V N 0.046 119.867 119.914 -0.155 0.000 3.013 389 V HA 0.478 4.598 4.120 0.000 0.000 0.238 389 V C 2.215 178.188 176.094 -0.202 0.000 1.161 389 V CA 0.866 62.977 62.300 -0.314 0.000 1.170 389 V CB -0.000 31.372 31.823 -0.751 0.000 0.917 389 V HN 0.498 nan 8.190 nan 0.000 0.478 390 A N 0.007 122.786 122.820 -0.068 0.000 2.640 390 A HA 0.287 4.607 4.320 0.000 0.000 0.282 390 A C 0.399 178.051 177.584 0.114 0.000 1.357 390 A CA 0.279 52.381 52.037 0.108 0.000 0.946 390 A CB -0.577 18.539 19.000 0.194 0.000 1.065 390 A HN 0.417 nan 8.150 nan 0.000 0.541 391 D N 0.251 120.693 120.400 0.071 0.000 3.068 391 D HA 0.200 4.840 4.640 0.000 0.000 0.327 391 D C 0.395 176.733 176.300 0.065 0.000 1.361 391 D CA -0.107 53.934 54.000 0.069 0.000 0.877 391 D CB -0.448 40.377 40.800 0.041 0.000 1.088 391 D HN 0.419 nan 8.370 nan 0.000 0.489 392 E N 0.656 120.914 120.200 0.097 0.000 2.722 392 E HA -0.235 4.115 4.350 0.000 0.000 0.265 392 E C 0.566 177.220 176.600 0.090 0.000 1.081 392 E CA 0.576 57.030 56.400 0.090 0.000 0.781 392 E CB -1.170 28.544 29.700 0.024 0.000 1.372 392 E HN 0.706 nan 8.360 nan 0.000 0.423 393 G N -1.568 107.286 108.800 0.090 0.000 2.324 393 G HA2 -0.206 3.755 3.960 0.000 0.000 0.292 393 G HA3 -0.206 3.755 3.960 0.000 0.000 0.292 393 G C 0.693 175.606 174.900 0.022 0.000 1.079 393 G CA 0.701 45.838 45.100 0.062 0.000 1.026 393 G HN 0.782 nan 8.290 nan 0.000 0.506 394 A N -0.076 122.750 122.820 0.011 0.000 1.929 394 A HA 0.157 4.478 4.320 0.000 0.000 0.216 394 A C 2.078 179.649 177.584 -0.022 0.000 1.176 394 A CA 1.571 53.605 52.037 -0.004 0.000 0.628 394 A CB -0.021 18.980 19.000 0.001 0.000 0.816 394 A HN 0.554 nan 8.150 nan 0.000 0.444 395 R N -0.770 119.714 120.500 -0.026 0.000 2.694 395 R HA 0.280 4.620 4.340 0.000 0.000 0.334 395 R C -0.678 175.592 176.300 -0.050 0.000 1.143 395 R CA -0.053 56.024 56.100 -0.039 0.000 1.073 395 R CB 0.684 30.964 30.300 -0.033 0.000 1.366 395 R HN 0.214 nan 8.270 nan 0.000 0.577 396 V N 2.376 122.257 119.914 -0.055 0.000 2.328 396 V HA 0.130 4.250 4.120 0.000 0.000 0.278 396 V C 0.797 176.820 176.094 -0.120 0.000 1.021 396 V CA -0.373 61.883 62.300 -0.074 0.000 0.838 396 V CB 1.148 32.932 31.823 -0.064 0.000 0.999 396 V HN 0.354 nan 8.190 nan 0.000 0.447 397 E N 5.806 125.901 120.200 -0.175 0.000 2.251 397 E HA 0.038 4.389 4.350 0.000 0.000 0.194 397 E C -0.617 175.657 176.600 -0.544 0.000 0.964 397 E CA 0.438 56.610 56.400 -0.380 0.000 0.868 397 E CB 0.255 29.660 29.700 -0.492 0.000 0.828 397 E HN 0.666 nan 8.360 nan 0.000 0.481 398 Y N 0.457 120.723 120.300 -0.057 0.000 2.425 398 Y HA 0.469 5.019 4.550 0.000 0.000 0.344 398 Y C -0.434 175.413 175.900 -0.089 0.000 0.969 398 Y CA -1.134 56.929 58.100 -0.061 0.000 1.052 398 Y CB 2.505 40.934 38.460 -0.052 0.000 1.215 398 Y HN -0.276 nan 8.280 nan 0.000 0.451 399 V N 5.303 125.262 119.914 0.075 0.000 2.407 399 V HA 0.440 4.560 4.120 0.000 0.000 0.291 399 V C -0.790 175.302 176.094 -0.003 0.000 1.018 399 V CA -0.730 61.561 62.300 -0.016 0.000 0.842 399 V CB 1.338 33.132 31.823 -0.049 0.000 0.996 399 V HN 0.516 nan 8.190 nan 0.000 0.426 400 L N 4.575 125.779 121.223 -0.031 0.000 2.307 400 L HA 0.652 4.992 4.340 0.000 0.000 0.284 400 L C -0.159 176.684 176.870 -0.044 0.000 1.023 400 L CA 0.032 54.852 54.840 -0.033 0.000 0.810 400 L CB 1.612 43.646 42.059 -0.041 0.000 1.231 400 L HN 0.661 nan 8.230 nan 0.000 0.423 401 Q N 3.623 123.401 119.800 -0.036 0.000 2.290 401 Q HA 0.418 4.759 4.340 0.000 0.000 0.269 401 Q C -0.705 175.276 176.000 -0.031 0.000 1.016 401 Q CA -0.685 55.097 55.803 -0.036 0.000 0.754 401 Q CB 1.013 29.730 28.738 -0.035 0.000 1.247 401 Q HN 0.514 nan 8.270 nan 0.000 0.451 402 R N 2.903 123.387 120.500 -0.027 0.000 3.333 402 R HA -0.310 4.031 4.340 0.000 0.000 0.256 402 R C 0.652 176.939 176.300 -0.022 0.000 1.010 402 R CA 0.737 56.824 56.100 -0.021 0.000 0.680 402 R CB -2.193 28.093 30.300 -0.023 0.000 1.102 402 R HN 1.177 nan 8.270 nan 0.000 0.440 403 G N -1.100 107.685 108.800 -0.024 0.000 2.812 403 G HA2 -0.413 3.547 3.960 0.000 0.000 0.219 403 G HA3 -0.413 3.547 3.960 0.000 0.000 0.219 403 G C 0.281 175.164 174.900 -0.029 0.000 1.275 403 G CA 0.654 45.739 45.100 -0.026 0.000 0.769 403 G HN 0.833 nan 8.290 nan 0.000 0.527 404 T N 1.632 116.170 114.554 -0.026 0.000 2.916 404 T HA 0.483 4.833 4.350 0.000 0.000 0.303 404 T C 0.417 175.104 174.700 -0.022 0.000 1.025 404 T CA 0.254 62.339 62.100 -0.025 0.000 1.142 404 T CB 1.067 69.922 68.868 -0.022 0.000 0.947 404 T HN 1.305 nan 8.240 nan 0.000 0.544 405 L N 5.987 127.199 121.223 -0.018 0.000 2.360 405 L HA 0.391 4.731 4.340 0.000 0.000 0.276 405 L C 0.656 177.533 176.870 0.012 0.000 1.121 405 L CA 0.314 55.154 54.840 0.001 0.000 0.845 405 L CB 0.816 42.878 42.059 0.006 0.000 1.143 405 L HN 0.671 nan 8.230 nan 0.000 0.452 406 V N 2.469 122.392 119.914 0.015 0.000 3.455 406 V HA 0.355 4.475 4.120 0.000 0.000 0.250 406 V C 0.463 176.564 176.094 0.012 0.000 1.230 406 V CA 0.155 62.458 62.300 0.005 0.000 1.105 406 V CB -0.421 31.396 31.823 -0.009 0.000 0.850 406 V HN 0.622 nan 8.190 nan 0.000 0.461 407 K N 1.546 121.961 120.400 0.026 0.000 2.427 407 K HA 0.605 4.926 4.320 0.000 0.000 0.252 407 K C -1.101 175.510 176.600 0.018 0.000 0.931 407 K CA -0.382 55.911 56.287 0.010 0.000 0.793 407 K CB 3.086 35.579 32.500 -0.011 0.000 1.211 407 K HN 0.120 nan 8.250 nan 0.000 0.426 408 R N 2.464 122.950 120.500 -0.024 0.000 2.502 408 R HA 0.317 4.657 4.340 0.000 0.000 0.300 408 R C -0.936 175.277 176.300 -0.144 0.000 0.984 408 R CA -0.204 55.836 56.100 -0.100 0.000 0.882 408 R CB 1.398 31.698 30.300 -0.001 0.000 1.180 408 R HN 0.699 nan 8.270 nan 0.000 0.444 409 Q N 0.000 119.654 119.800 -0.243 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 409 Q CA 0.000 55.700 55.803 -0.172 0.000 1.022 409 Q CB 0.000 28.657 28.738 -0.135 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481