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 1z7x_1_W DATA FIRST_RESID 1 DATA SEQUENCE SLDIQSLDIQ CEELSDARWA ELLPLLQQCQ VVRLDDCGLT EARCKDISSA DATA SEQUENCE LRVNPALAEL NLRSNELGDV GVHCVLQGLQ TPSCKIQKLS LQNCCLTGAG DATA SEQUENCE CGVLSSTLRT LPTLQELHLS DNLLGDAGLQ LLCEGLLDPQ CRLEKLQLEY DATA SEQUENCE CSLSAASCEP LASVLRAKPD FKELTVSNND INEAGVRVLC QGLKDSPCQL DATA SEQUENCE EALKLESCGV TSDNCRDLCG IVASKASLRE LALGSNKLGD VGMAELCPGL DATA SEQUENCE LHPSSRLRTL WIWECGITAK GCGDLCRVLR AKESLKELSL AGNELGDEGA DATA SEQUENCE RLLCETLLEP GCQLESLWVK SCSFTAACCS HFSSVLAQNR FLLELQISNN DATA SEQUENCE RLEDAGVREL CQGLGQPGSV LRVLWLADCD VSDSSCSSLA ATLLANHSLR DATA SEQUENCE ELDLSNNCLG DAGILQLVES VRQPGCLLEQ LVLYDIYWSE EMEDRLQALE DATA SEQUENCE KDKPSLRVIS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.597 174.600 -0.004 0.000 1.055 1 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 2 L N 1.303 122.523 121.223 -0.005 0.000 2.482 2 L HA 0.817 5.156 4.340 -0.001 0.000 0.263 2 L C -2.084 174.782 176.870 -0.006 0.000 0.957 2 L CA 0.019 54.856 54.840 -0.005 0.000 0.836 2 L CB 2.146 44.202 42.059 -0.004 0.000 1.324 2 L HN 1.012 nan 8.230 nan 0.000 0.406 3 D N 4.605 125.001 120.400 -0.007 0.000 2.386 3 D HA 0.421 5.061 4.640 -0.001 0.000 0.247 3 D C -1.439 174.856 176.300 -0.009 0.000 1.336 3 D CA -0.021 53.974 54.000 -0.008 0.000 0.976 3 D CB 0.854 41.648 40.800 -0.009 0.000 1.257 3 D HN 0.406 nan 8.370 nan 0.000 0.570 4 I N 2.949 123.514 120.570 -0.008 0.000 2.389 4 I HA 0.324 4.494 4.170 -0.001 0.000 0.288 4 I C -0.016 176.096 176.117 -0.009 0.000 0.999 4 I CA -0.568 60.727 61.300 -0.008 0.000 1.129 4 I CB 1.753 39.749 38.000 -0.007 0.000 1.288 4 I HN 0.124 nan 8.210 nan 0.000 0.444 5 Q N 4.454 124.247 119.800 -0.011 0.000 2.394 5 Q HA 0.665 5.005 4.340 -0.001 0.000 0.273 5 Q C -0.946 175.047 176.000 -0.011 0.000 1.089 5 Q CA -0.858 54.938 55.803 -0.012 0.000 0.812 5 Q CB 2.912 31.640 28.738 -0.016 0.000 1.353 5 Q HN 0.771 nan 8.270 nan 0.000 0.438 6 S N 1.172 116.867 115.700 -0.008 0.000 2.548 6 S HA 0.795 5.265 4.470 -0.001 0.000 0.286 6 S C -1.463 173.135 174.600 -0.004 0.000 1.098 6 S CA -0.827 57.369 58.200 -0.006 0.000 0.930 6 S CB 1.651 64.849 63.200 -0.002 0.000 1.070 6 S HN 0.474 nan 8.310 nan 0.000 0.480 7 L N 1.877 123.098 121.223 -0.002 0.000 2.406 7 L HA 0.774 5.113 4.340 -0.001 0.000 0.272 7 L C -1.834 175.044 176.870 0.014 0.000 0.980 7 L CA -0.105 54.736 54.840 0.003 0.000 0.831 7 L CB 1.868 43.925 42.059 -0.005 0.000 1.253 7 L HN 0.926 nan 8.230 nan 0.000 0.406 8 D N 5.791 126.203 120.400 0.020 0.000 2.402 8 D HA 0.389 5.028 4.640 -0.001 0.000 0.252 8 D C -1.273 175.047 176.300 0.033 0.000 1.294 8 D CA -0.064 53.952 54.000 0.026 0.000 0.948 8 D CB 0.784 41.597 40.800 0.022 0.000 1.202 8 D HN 0.500 nan 8.370 nan 0.000 0.561 9 I N 2.580 123.176 120.570 0.044 0.000 2.404 9 I HA 0.348 4.518 4.170 -0.001 0.000 0.293 9 I C -0.073 176.072 176.117 0.047 0.000 0.992 9 I CA -0.697 60.633 61.300 0.049 0.000 1.149 9 I CB 1.856 39.897 38.000 0.067 0.000 1.315 9 I HN 0.146 nan 8.210 nan 0.000 0.446 10 Q N 4.179 124.003 119.800 0.040 0.000 2.323 10 Q HA 0.375 4.715 4.340 -0.001 0.000 0.271 10 Q C -0.601 175.418 176.000 0.031 0.000 1.048 10 Q CA -0.601 55.223 55.803 0.035 0.000 0.792 10 Q CB 2.279 31.037 28.738 0.033 0.000 1.280 10 Q HN 0.878 nan 8.270 nan 0.000 0.441 11 C N 2.050 121.366 119.300 0.026 0.000 4.545 11 C HA -0.141 4.318 4.460 -0.001 0.000 0.300 11 C C -0.017 174.985 174.990 0.020 0.000 1.337 11 C CA 0.675 59.704 59.018 0.019 0.000 2.032 11 C CB -2.112 25.639 27.740 0.018 0.000 1.236 11 C HN 0.755 nan 8.230 nan 0.000 0.774 12 E N -0.261 119.953 120.200 0.023 0.000 2.222 12 E HA 0.465 4.814 4.350 -0.001 0.000 0.267 12 E C -0.242 176.369 176.600 0.018 0.000 0.884 12 E CA -0.615 55.800 56.400 0.026 0.000 0.764 12 E CB 1.385 31.109 29.700 0.039 0.000 1.169 12 E HN 0.270 nan 8.360 nan 0.000 0.413 13 E N 2.355 122.562 120.200 0.011 0.000 2.259 13 E HA 0.205 4.555 4.350 -0.001 0.000 0.281 13 E C -1.141 175.469 176.600 0.016 0.000 1.037 13 E CA -0.115 56.285 56.400 0.001 0.000 0.854 13 E CB 0.478 30.174 29.700 -0.007 0.000 1.051 13 E HN 0.315 nan 8.360 nan 0.000 0.409 14 L N 3.806 125.035 121.223 0.010 0.000 2.280 14 L HA 0.336 4.676 4.340 -0.001 0.000 0.287 14 L C 0.370 177.262 176.870 0.038 0.000 1.023 14 L CA -0.802 54.072 54.840 0.057 0.000 0.819 14 L CB 1.282 43.409 42.059 0.113 0.000 1.212 14 L HN 0.551 nan 8.230 nan 0.000 0.420 15 S N 0.422 116.160 115.700 0.063 0.000 2.600 15 S HA 0.082 4.552 4.470 -0.001 0.000 0.265 15 S C 0.663 175.321 174.600 0.097 0.000 1.325 15 S CA -0.612 57.619 58.200 0.053 0.000 1.002 15 S CB 1.119 64.349 63.200 0.049 0.000 0.921 15 S HN 0.581 nan 8.310 nan 0.000 0.554 16 D N 1.261 121.706 120.400 0.074 0.000 2.178 16 D HA -0.018 4.622 4.640 -0.001 0.000 0.201 16 D C 2.143 178.539 176.300 0.159 0.000 0.980 16 D CA 1.709 55.781 54.000 0.121 0.000 0.842 16 D CB -0.791 40.052 40.800 0.072 0.000 0.948 16 D HN 0.682 nan 8.370 nan 0.000 0.472 17 A N 0.699 123.582 122.820 0.105 0.000 1.873 17 A HA -0.158 4.162 4.320 -0.001 0.000 0.215 17 A C 2.211 179.850 177.584 0.093 0.000 1.186 17 A CA 1.704 53.791 52.037 0.082 0.000 0.616 17 A CB -0.439 18.593 19.000 0.053 0.000 0.823 17 A HN 0.095 nan 8.150 nan 0.000 0.442 18 R N -0.976 119.590 120.500 0.109 0.000 2.081 18 R HA -0.167 4.173 4.340 -0.001 0.000 0.235 18 R C 2.072 178.467 176.300 0.159 0.000 1.131 18 R CA 1.771 57.937 56.100 0.111 0.000 0.960 18 R CB -0.627 29.742 30.300 0.114 0.000 0.856 18 R HN 0.790 nan 8.270 nan 0.000 0.436 19 W N 0.637 121.938 121.300 0.002 0.000 2.335 19 W HA -0.248 4.412 4.660 -0.001 0.000 0.311 19 W C 1.751 178.270 176.519 0.001 0.000 1.213 19 W CA 1.683 59.029 57.345 0.001 0.000 1.274 19 W CB -0.380 29.080 29.460 0.001 0.000 1.148 19 W HN 0.310 nan 8.180 nan 0.000 0.498 20 A N 0.849 123.700 122.820 0.052 0.000 1.917 20 A HA -0.285 4.034 4.320 -0.001 0.000 0.219 20 A C 1.729 179.246 177.584 -0.113 0.000 1.182 20 A CA 2.202 54.203 52.037 -0.060 0.000 0.633 20 A CB -1.041 17.974 19.000 0.024 0.000 0.819 20 A HN 0.530 nan 8.150 nan 0.000 0.448 21 E N -0.357 119.805 120.200 -0.064 0.000 2.150 21 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 21 E C 1.784 178.311 176.600 -0.120 0.000 0.985 21 E CA 0.935 57.294 56.400 -0.068 0.000 0.814 21 E CB -0.231 29.454 29.700 -0.025 0.000 0.752 21 E HN 0.640 nan 8.360 nan 0.000 0.466 22 L N 0.604 121.715 121.223 -0.187 0.000 2.313 22 L HA -0.075 4.264 4.340 -0.001 0.000 0.214 22 L C 2.198 178.863 176.870 -0.341 0.000 1.119 22 L CA 0.308 55.001 54.840 -0.246 0.000 0.809 22 L CB -0.158 41.731 42.059 -0.283 0.000 0.933 22 L HN 0.179 nan 8.230 nan 0.000 0.449 23 L N 0.114 121.083 121.223 -0.424 0.000 2.046 23 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 23 L C -0.189 176.546 176.870 -0.225 0.000 1.077 23 L CA 1.394 55.993 54.840 -0.401 0.000 0.747 23 L CB -1.750 40.079 42.059 -0.384 0.000 0.896 23 L HN 0.247 nan 8.230 nan 0.000 0.432 24 P HA -0.157 nan 4.420 nan 0.000 0.218 24 P C 1.923 179.165 177.300 -0.097 0.000 1.149 24 P CA 1.249 64.284 63.100 -0.108 0.000 0.817 24 P CB 0.072 31.723 31.700 -0.082 0.000 0.785 25 L N -1.264 119.893 121.223 -0.110 0.000 2.046 25 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 25 L C 2.378 179.193 176.870 -0.090 0.000 1.077 25 L CA 1.249 56.037 54.840 -0.087 0.000 0.747 25 L CB -0.941 41.069 42.059 -0.082 0.000 0.896 25 L HN -0.034 nan 8.230 nan 0.000 0.432 26 L N -0.664 120.481 121.223 -0.130 0.000 2.265 26 L HA -0.217 4.123 4.340 -0.001 0.000 0.215 26 L C 2.316 179.140 176.870 -0.077 0.000 1.117 26 L CA 1.121 55.895 54.840 -0.112 0.000 0.782 26 L CB -0.432 41.526 42.059 -0.169 0.000 0.914 26 L HN 0.417 nan 8.230 nan 0.000 0.441 27 Q N -0.873 118.880 119.800 -0.079 0.000 2.424 27 Q HA -0.084 4.255 4.340 -0.001 0.000 0.204 27 Q C 1.652 177.626 176.000 -0.043 0.000 0.933 27 Q CA 0.590 56.360 55.803 -0.056 0.000 0.929 27 Q CB 0.331 29.035 28.738 -0.057 0.000 1.037 27 Q HN 0.589 nan 8.270 nan 0.000 0.511 28 Q N -1.227 118.546 119.800 -0.045 0.000 2.369 28 Q HA 0.131 4.470 4.340 -0.001 0.000 0.254 28 Q C 0.144 176.127 176.000 -0.028 0.000 0.858 28 Q CA -0.116 55.666 55.803 -0.034 0.000 0.961 28 Q CB 1.105 29.822 28.738 -0.035 0.000 1.119 28 Q HN 0.177 nan 8.270 nan 0.000 0.538 29 C N 1.889 121.171 119.300 -0.031 0.000 2.593 29 C HA 0.052 4.512 4.460 -0.001 0.000 0.409 29 C C 1.805 176.784 174.990 -0.019 0.000 1.304 29 C CA -0.110 58.894 59.018 -0.024 0.000 2.007 29 C CB 0.748 28.474 27.740 -0.024 0.000 2.614 29 C HN 0.540 nan 8.230 nan 0.000 0.585 30 Q N 1.347 121.137 119.800 -0.016 0.000 2.167 30 Q HA -0.024 4.316 4.340 -0.001 0.000 0.202 30 Q C -0.075 175.917 176.000 -0.014 0.000 0.970 30 Q CA 1.278 57.072 55.803 -0.014 0.000 0.855 30 Q CB 0.318 29.049 28.738 -0.012 0.000 0.911 30 Q HN 0.691 nan 8.270 nan 0.000 0.438 31 V N 1.003 120.910 119.914 -0.012 0.000 2.525 31 V HA 0.352 4.472 4.120 -0.001 0.000 0.299 31 V C -0.967 175.123 176.094 -0.007 0.000 1.034 31 V CA -0.703 61.591 62.300 -0.011 0.000 0.863 31 V CB 1.975 33.793 31.823 -0.008 0.000 0.999 31 V HN -0.121 nan 8.190 nan 0.000 0.423 32 V N 6.043 125.955 119.914 -0.003 0.000 2.443 32 V HA 0.564 4.683 4.120 -0.001 0.000 0.293 32 V C -0.230 175.874 176.094 0.016 0.000 1.021 32 V CA -0.687 61.617 62.300 0.006 0.000 0.848 32 V CB 1.858 33.685 31.823 0.007 0.000 0.998 32 V HN 0.830 nan 8.190 nan 0.000 0.424 33 R N 5.519 126.033 120.500 0.024 0.000 2.439 33 R HA 0.703 5.042 4.340 -0.001 0.000 0.310 33 R C -1.320 175.009 176.300 0.050 0.000 0.955 33 R CA -0.628 55.492 56.100 0.032 0.000 0.853 33 R CB 2.134 32.449 30.300 0.025 0.000 1.171 33 R HN 0.576 nan 8.270 nan 0.000 0.449 34 L N 3.011 124.271 121.223 0.061 0.000 2.433 34 L HA 0.284 4.624 4.340 -0.001 0.000 0.256 34 L C -0.787 176.118 176.870 0.058 0.000 1.063 34 L CA -0.629 54.259 54.840 0.080 0.000 0.922 34 L CB 1.353 43.490 42.059 0.130 0.000 1.238 34 L HN 0.481 nan 8.230 nan 0.000 0.466 35 D N 2.911 123.339 120.400 0.047 0.000 2.329 35 D HA 0.116 4.756 4.640 -0.001 0.000 0.232 35 D C 0.200 176.516 176.300 0.027 0.000 1.088 35 D CA 0.070 54.092 54.000 0.036 0.000 0.835 35 D CB 1.254 42.075 40.800 0.035 0.000 1.078 35 D HN 0.454 nan 8.370 nan 0.000 0.495 36 D N 2.799 123.209 120.400 0.018 0.000 2.697 36 D HA -0.216 4.424 4.640 -0.001 0.000 0.238 36 D C -0.169 176.134 176.300 0.006 0.000 1.152 36 D CA 0.371 54.375 54.000 0.007 0.000 0.666 36 D CB -1.296 39.508 40.800 0.007 0.000 1.037 36 D HN 0.333 nan 8.370 nan 0.000 0.423 37 C N 0.315 119.617 119.300 0.003 0.000 2.778 37 C HA 0.642 5.101 4.460 -0.001 0.000 0.294 37 C C 1.849 176.811 174.990 -0.046 0.000 1.331 37 C CA 0.086 59.103 59.018 -0.002 0.000 1.741 37 C CB -0.526 27.233 27.740 0.030 0.000 2.106 37 C HN 0.904 nan 8.230 nan 0.000 0.603 38 G N 1.715 110.484 108.800 -0.051 0.000 2.221 38 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.265 38 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.265 38 G C -0.081 174.744 174.900 -0.126 0.000 1.041 38 G CA -0.158 44.897 45.100 -0.077 0.000 0.807 38 G HN 0.593 nan 8.290 nan 0.000 0.502 39 L N 1.083 122.232 121.223 -0.124 0.000 2.416 39 L HA 0.514 4.854 4.340 -0.001 0.000 0.272 39 L C 1.343 178.138 176.870 -0.126 0.000 1.161 39 L CA 0.420 55.157 54.840 -0.172 0.000 0.845 39 L CB 0.641 42.627 42.059 -0.122 0.000 1.119 39 L HN 0.456 nan 8.230 nan 0.000 0.464 40 T N -2.480 111.981 114.554 -0.155 0.000 2.927 40 T HA 0.206 4.556 4.350 -0.001 0.000 0.286 40 T C 0.743 175.394 174.700 -0.081 0.000 1.040 40 T CA -0.750 61.286 62.100 -0.108 0.000 1.010 40 T CB 1.802 70.596 68.868 -0.125 0.000 1.177 40 T HN 0.699 nan 8.240 nan 0.000 0.546 41 E N 0.376 120.545 120.200 -0.051 0.000 2.058 41 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 41 E C 2.202 178.784 176.600 -0.030 0.000 0.997 41 E CA 1.482 57.864 56.400 -0.029 0.000 0.801 41 E CB -0.592 29.096 29.700 -0.020 0.000 0.746 41 E HN 0.748 nan 8.360 nan 0.000 0.450 42 A N 1.381 124.173 122.820 -0.047 0.000 1.933 42 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 42 A C 2.204 179.772 177.584 -0.026 0.000 1.175 42 A CA 1.452 53.468 52.037 -0.034 0.000 0.628 42 A CB -0.472 18.500 19.000 -0.047 0.000 0.814 42 A HN 0.217 nan 8.150 nan 0.000 0.444 43 R N -1.055 119.375 120.500 -0.117 0.000 2.148 43 R HA -0.101 4.239 4.340 -0.001 0.000 0.227 43 R C 2.110 178.463 176.300 0.090 0.000 1.103 43 R CA 1.284 57.308 56.100 -0.126 0.000 0.983 43 R CB -0.718 29.221 30.300 -0.601 0.000 0.874 43 R HN 0.605 nan 8.270 nan 0.000 0.451 44 C N 1.028 120.349 119.300 0.036 0.000 2.422 44 C HA -0.065 4.394 4.460 -0.001 0.000 0.279 44 C C 2.338 177.378 174.990 0.084 0.000 1.305 44 C CA 0.734 59.795 59.018 0.071 0.000 1.757 44 C CB -0.544 27.217 27.740 0.036 0.000 1.962 44 C HN 0.455 nan 8.230 nan 0.000 0.499 45 K N 0.765 121.205 120.400 0.067 0.000 2.057 45 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 45 K C 1.495 178.154 176.600 0.099 0.000 1.049 45 K CA 1.479 57.803 56.287 0.063 0.000 0.931 45 K CB -0.280 32.243 32.500 0.039 0.000 0.714 45 K HN 0.485 nan 8.250 nan 0.000 0.440 46 D N 1.293 121.797 120.400 0.172 0.000 2.097 46 D HA -0.135 4.505 4.640 -0.001 0.000 0.195 46 D C 1.983 178.379 176.300 0.161 0.000 0.989 46 D CA 1.057 55.182 54.000 0.209 0.000 0.827 46 D CB -0.311 40.753 40.800 0.441 0.000 0.966 46 D HN 0.155 nan 8.370 nan 0.000 0.456 47 I N 0.690 121.401 120.570 0.235 0.000 2.151 47 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 47 I C 2.588 178.753 176.117 0.080 0.000 1.080 47 I CA 1.017 62.410 61.300 0.156 0.000 1.339 47 I CB -0.314 37.802 38.000 0.193 0.000 1.039 47 I HN -0.038 nan 8.210 nan 0.000 0.409 48 S N 0.255 116.001 115.700 0.077 0.000 2.353 48 S HA -0.217 4.253 4.470 -0.001 0.000 0.222 48 S C 2.234 176.853 174.600 0.032 0.000 1.035 48 S CA 2.243 60.472 58.200 0.049 0.000 1.025 48 S CB -0.198 63.027 63.200 0.042 0.000 0.902 48 S HN 0.436 nan 8.310 nan 0.000 0.440 49 S N 1.323 117.042 115.700 0.032 0.000 2.368 49 S HA 0.023 4.493 4.470 -0.001 0.000 0.225 49 S C 2.215 176.815 174.600 0.001 0.000 1.030 49 S CA 1.057 59.266 58.200 0.016 0.000 0.999 49 S CB -0.687 62.523 63.200 0.017 0.000 0.844 49 S HN 0.702 nan 8.310 nan 0.000 0.459 50 A N 1.577 124.393 122.820 -0.007 0.000 1.898 50 A HA 0.032 4.351 4.320 -0.001 0.000 0.216 50 A C 2.093 179.664 177.584 -0.021 0.000 1.181 50 A CA 1.066 53.084 52.037 -0.032 0.000 0.620 50 A CB -0.698 18.260 19.000 -0.070 0.000 0.819 50 A HN 0.454 nan 8.150 nan 0.000 0.442 51 L N -1.118 120.102 121.223 -0.006 0.000 2.141 51 L HA -0.147 4.193 4.340 -0.001 0.000 0.209 51 L C 2.727 179.597 176.870 -0.000 0.000 1.094 51 L CA 1.065 55.904 54.840 -0.001 0.000 0.763 51 L CB -0.564 41.502 42.059 0.011 0.000 0.908 51 L HN 0.356 nan 8.230 nan 0.000 0.437 52 R N 0.145 120.647 120.500 0.003 0.000 2.139 52 R HA -0.139 4.201 4.340 -0.001 0.000 0.243 52 R C 1.812 178.110 176.300 -0.002 0.000 1.145 52 R CA 1.714 57.816 56.100 0.003 0.000 0.976 52 R CB -0.331 29.972 30.300 0.005 0.000 0.866 52 R HN 0.433 nan 8.270 nan 0.000 0.449 53 V N -1.813 118.096 119.914 -0.008 0.000 3.444 53 V HA 0.202 4.322 4.120 -0.001 0.000 0.308 53 V C 0.050 176.136 176.094 -0.015 0.000 1.371 53 V CA -0.381 61.912 62.300 -0.011 0.000 1.141 53 V CB -0.106 31.708 31.823 -0.015 0.000 1.037 53 V HN 0.039 nan 8.190 nan 0.000 0.433 54 N N 2.794 121.486 118.700 -0.014 0.000 2.527 54 N HA 0.420 5.160 4.740 -0.001 0.000 0.236 54 N C -1.656 173.847 175.510 -0.011 0.000 0.999 54 N CA -1.940 51.100 53.050 -0.016 0.000 0.935 54 N CB 2.041 40.517 38.487 -0.019 0.000 1.132 54 N HN 0.233 nan 8.380 nan 0.000 0.511 55 P HA 0.119 nan 4.420 nan 0.000 0.240 55 P C 0.557 177.852 177.300 -0.009 0.000 1.190 55 P CA 0.302 63.397 63.100 -0.009 0.000 0.781 55 P CB 0.436 32.131 31.700 -0.008 0.000 0.931 56 A N -0.302 122.511 122.820 -0.012 0.000 2.178 56 A HA 0.108 4.428 4.320 -0.001 0.000 0.211 56 A C 1.034 178.610 177.584 -0.012 0.000 1.157 56 A CA -0.091 51.939 52.037 -0.012 0.000 0.780 56 A CB -0.984 18.008 19.000 -0.014 0.000 0.828 56 A HN 0.212 nan 8.150 nan 0.000 0.476 57 L N 0.104 121.319 121.223 -0.012 0.000 2.477 57 L HA 0.379 4.718 4.340 -0.001 0.000 0.272 57 L C 1.010 177.872 176.870 -0.013 0.000 1.157 57 L CA 0.680 55.512 54.840 -0.013 0.000 0.889 57 L CB 1.011 43.064 42.059 -0.011 0.000 1.158 57 L HN 0.169 nan 8.230 nan 0.000 0.473 58 A N 4.195 127.005 122.820 -0.016 0.000 2.127 58 A HA 0.246 4.566 4.320 -0.001 0.000 0.204 58 A C 0.561 178.129 177.584 -0.027 0.000 1.243 58 A CA 0.036 52.061 52.037 -0.020 0.000 0.887 58 A CB 0.048 19.037 19.000 -0.019 0.000 0.933 58 A HN 0.693 nan 8.150 nan 0.000 0.479 59 E N -0.238 119.947 120.200 -0.026 0.000 2.263 59 E HA 0.534 4.883 4.350 -0.001 0.000 0.268 59 E C -2.234 174.350 176.600 -0.026 0.000 0.884 59 E CA -0.598 55.780 56.400 -0.036 0.000 0.766 59 E CB 1.615 31.292 29.700 -0.038 0.000 1.196 59 E HN 0.150 nan 8.360 nan 0.000 0.416 60 L N 4.872 126.077 121.223 -0.030 0.000 2.406 60 L HA 0.540 4.880 4.340 -0.001 0.000 0.272 60 L C -1.765 175.093 176.870 -0.019 0.000 0.980 60 L CA -0.421 54.411 54.840 -0.013 0.000 0.831 60 L CB 1.624 43.682 42.059 -0.002 0.000 1.253 60 L HN 0.490 nan 8.230 nan 0.000 0.406 61 N N 5.648 124.346 118.700 -0.003 0.000 2.531 61 N HA 0.366 5.105 4.740 -0.001 0.000 0.268 61 N C -0.955 174.572 175.510 0.027 0.000 1.023 61 N CA -0.312 52.740 53.050 0.002 0.000 0.896 61 N CB 1.255 39.741 38.487 -0.001 0.000 1.233 61 N HN 0.763 nan 8.380 nan 0.000 0.512 62 L N 3.745 124.987 121.223 0.032 0.000 3.062 62 L HA 0.313 4.653 4.340 -0.001 0.000 0.255 62 L C 1.035 177.927 176.870 0.038 0.000 1.274 62 L CA -0.567 54.298 54.840 0.042 0.000 1.047 62 L CB -0.110 41.976 42.059 0.045 0.000 1.402 62 L HN 0.344 nan 8.230 nan 0.000 0.550 63 R N -1.117 119.408 120.500 0.041 0.000 2.734 63 R HA 0.181 4.520 4.340 -0.001 0.000 0.266 63 R C 0.402 176.720 176.300 0.029 0.000 1.044 63 R CA -0.087 56.038 56.100 0.041 0.000 1.128 63 R CB 0.209 30.541 30.300 0.054 0.000 1.010 63 R HN 0.078 nan 8.270 nan 0.000 0.461 64 S N 0.559 116.272 115.700 0.021 0.000 3.682 64 S HA -0.127 4.343 4.470 -0.001 0.000 0.354 64 S C -0.964 173.638 174.600 0.003 0.000 1.034 64 S CA 0.893 59.099 58.200 0.009 0.000 1.084 64 S CB -1.403 61.801 63.200 0.007 0.000 0.903 64 S HN 0.804 nan 8.310 nan 0.000 0.470 65 N N 1.217 119.918 118.700 0.003 0.000 2.269 65 N HA 0.189 4.928 4.740 -0.001 0.000 0.304 65 N C -0.453 175.051 175.510 -0.010 0.000 1.072 65 N CA -0.624 52.420 53.050 -0.008 0.000 0.802 65 N CB 1.241 39.723 38.487 -0.008 0.000 1.348 65 N HN 0.334 nan 8.380 nan 0.000 0.484 66 E N 2.313 122.502 120.200 -0.020 0.000 2.148 66 E HA 0.098 4.448 4.350 -0.001 0.000 0.308 66 E C 1.019 177.610 176.600 -0.016 0.000 1.278 66 E CA -0.027 56.363 56.400 -0.017 0.000 1.368 66 E CB 0.083 29.770 29.700 -0.022 0.000 1.229 66 E HN 0.417 nan 8.360 nan 0.000 0.494 67 L N 0.709 121.929 121.223 -0.006 0.000 2.109 67 L HA 0.012 4.352 4.340 -0.001 0.000 0.207 67 L C 1.340 178.215 176.870 0.008 0.000 1.086 67 L CA 0.731 55.572 54.840 0.001 0.000 0.760 67 L CB -0.912 41.156 42.059 0.015 0.000 0.910 67 L HN 0.573 nan 8.230 nan 0.000 0.437 68 G N 0.405 109.211 108.800 0.010 0.000 2.877 68 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.279 68 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.279 68 G C 0.058 174.975 174.900 0.028 0.000 1.431 68 G CA -0.032 45.077 45.100 0.015 0.000 0.883 68 G HN 0.202 nan 8.290 nan 0.000 0.547 69 D N -0.727 119.691 120.400 0.029 0.000 2.117 69 D HA -0.099 4.540 4.640 -0.001 0.000 0.197 69 D C 2.748 179.094 176.300 0.076 0.000 0.987 69 D CA 1.692 55.717 54.000 0.040 0.000 0.829 69 D CB -0.246 40.572 40.800 0.030 0.000 0.961 69 D HN 0.317 nan 8.370 nan 0.000 0.460 70 V N 1.128 121.084 119.914 0.070 0.000 2.295 70 V HA -0.165 3.955 4.120 -0.001 0.000 0.246 70 V C 2.609 178.750 176.094 0.077 0.000 1.049 70 V CA 2.020 64.370 62.300 0.084 0.000 1.024 70 V CB -1.060 30.787 31.823 0.041 0.000 0.648 70 V HN 0.224 nan 8.190 nan 0.000 0.447 71 G N -0.180 108.649 108.800 0.048 0.000 2.446 71 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.217 71 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.217 71 G C 1.679 176.617 174.900 0.064 0.000 1.168 71 G CA 1.308 46.431 45.100 0.040 0.000 0.771 71 G HN 0.379 nan 8.290 nan 0.000 0.551 72 V N 0.115 120.072 119.914 0.071 0.000 2.358 72 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 72 V C 2.328 178.492 176.094 0.117 0.000 1.047 72 V CA 2.210 64.553 62.300 0.072 0.000 1.035 72 V CB -0.795 31.057 31.823 0.049 0.000 0.658 72 V HN 0.628 nan 8.190 nan 0.000 0.452 73 H N -0.881 118.198 119.070 0.015 0.000 2.321 73 H HA -0.281 4.275 4.556 -0.001 0.000 0.295 73 H C 2.390 177.728 175.328 0.017 0.000 1.102 73 H CA 2.202 58.259 56.048 0.015 0.000 1.266 73 H CB 0.033 29.802 29.762 0.012 0.000 1.363 73 H HN 0.490 nan 8.280 nan 0.000 0.492 74 C N -0.283 119.090 119.300 0.122 0.000 2.429 74 C HA -0.108 4.351 4.460 -0.001 0.000 0.277 74 C C 2.890 177.920 174.990 0.066 0.000 1.262 74 C CA 0.759 59.800 59.018 0.039 0.000 1.733 74 C CB -0.738 27.012 27.740 0.015 0.000 2.010 74 C HN 0.460 nan 8.230 nan 0.000 0.483 75 V N 1.184 121.144 119.914 0.076 0.000 2.343 75 V HA -0.218 3.902 4.120 -0.001 0.000 0.247 75 V C 2.359 178.493 176.094 0.066 0.000 1.051 75 V CA 1.873 64.213 62.300 0.068 0.000 1.036 75 V CB -0.642 31.219 31.823 0.063 0.000 0.654 75 V HN 0.557 nan 8.190 nan 0.000 0.451 76 L N -0.576 120.695 121.223 0.080 0.000 2.079 76 L HA -0.263 4.076 4.340 -0.001 0.000 0.210 76 L C 2.634 179.551 176.870 0.078 0.000 1.081 76 L CA 1.626 56.509 54.840 0.072 0.000 0.752 76 L CB -0.696 41.403 42.059 0.067 0.000 0.896 76 L HN 0.377 nan 8.230 nan 0.000 0.433 77 Q N -0.144 119.718 119.800 0.104 0.000 2.170 77 Q HA -0.144 4.195 4.340 -0.001 0.000 0.203 77 Q C 2.271 178.299 176.000 0.047 0.000 0.976 77 Q CA 1.304 57.154 55.803 0.078 0.000 0.858 77 Q CB -0.354 28.422 28.738 0.063 0.000 0.907 77 Q HN 0.614 nan 8.270 nan 0.000 0.433 78 G N 0.329 109.155 108.800 0.044 0.000 2.509 78 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.218 78 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.218 78 G C 1.154 176.069 174.900 0.026 0.000 1.124 78 G CA 0.273 45.392 45.100 0.032 0.000 0.776 78 G HN 0.216 nan 8.290 nan 0.000 0.547 79 L N -0.448 120.792 121.223 0.029 0.000 2.592 79 L HA 0.174 4.514 4.340 -0.001 0.000 0.227 79 L C 1.961 178.842 176.870 0.019 0.000 1.127 79 L CA 0.170 55.023 54.840 0.021 0.000 0.884 79 L CB 0.188 42.259 42.059 0.021 0.000 1.065 79 L HN 0.213 nan 8.230 nan 0.000 0.457 80 Q N 0.307 120.121 119.800 0.024 0.000 2.212 80 Q HA 0.064 4.404 4.340 -0.001 0.000 0.213 80 Q C 0.539 176.549 176.000 0.016 0.000 0.874 80 Q CA -0.124 55.692 55.803 0.022 0.000 0.965 80 Q CB 0.313 29.069 28.738 0.030 0.000 1.074 80 Q HN 0.388 nan 8.270 nan 0.000 0.473 81 T N -3.707 110.854 114.554 0.013 0.000 2.918 81 T HA 0.285 4.635 4.350 -0.001 0.000 0.283 81 T C -1.924 172.780 174.700 0.007 0.000 1.001 81 T CA -1.978 60.128 62.100 0.009 0.000 1.041 81 T CB 1.293 70.165 68.868 0.006 0.000 1.028 81 T HN -0.171 nan 8.240 nan 0.000 0.511 82 P HA -0.048 nan 4.420 nan 0.000 0.222 82 P C 1.563 178.864 177.300 0.002 0.000 1.147 82 P CA 0.810 63.912 63.100 0.004 0.000 0.790 82 P CB -0.032 31.670 31.700 0.004 0.000 0.780 83 S N -2.394 113.307 115.700 0.002 0.000 2.496 83 S HA -0.041 4.429 4.470 -0.001 0.000 0.224 83 S C 1.013 175.612 174.600 -0.001 0.000 0.996 83 S CA -0.314 57.886 58.200 -0.001 0.000 0.927 83 S CB -1.384 61.815 63.200 -0.002 0.000 0.774 83 S HN 0.168 nan 8.310 nan 0.000 0.524 84 C N 2.914 122.215 119.300 0.001 0.000 2.633 84 C HA 0.318 4.778 4.460 -0.001 0.000 0.415 84 C C 1.029 176.018 174.990 -0.001 0.000 1.393 84 C CA -0.041 58.977 59.018 0.000 0.000 1.700 84 C CB -0.752 26.990 27.740 0.004 0.000 2.541 84 C HN 0.579 nan 8.230 nan 0.000 0.603 85 K N 4.967 125.365 120.400 -0.004 0.000 2.564 85 K HA 0.222 4.541 4.320 -0.001 0.000 0.205 85 K C 0.339 176.934 176.600 -0.009 0.000 1.053 85 K CA -0.250 56.033 56.287 -0.006 0.000 1.072 85 K CB 0.353 32.849 32.500 -0.007 0.000 0.822 85 K HN 0.783 nan 8.250 nan 0.000 0.497 86 I N 1.883 122.448 120.570 -0.009 0.000 2.826 86 I HA -0.221 3.948 4.170 -0.001 0.000 0.295 86 I C 0.756 176.862 176.117 -0.019 0.000 1.213 86 I CA 0.919 62.211 61.300 -0.014 0.000 1.436 86 I CB 0.678 38.671 38.000 -0.012 0.000 1.348 86 I HN 0.349 nan 8.210 nan 0.000 0.570 87 Q N 5.877 125.661 119.800 -0.027 0.000 2.402 87 Q HA 0.229 4.569 4.340 -0.001 0.000 0.231 87 Q C -0.515 175.455 176.000 -0.050 0.000 0.888 87 Q CA 0.391 56.173 55.803 -0.034 0.000 0.938 87 Q CB 0.548 29.267 28.738 -0.033 0.000 1.086 87 Q HN 0.552 nan 8.270 nan 0.000 0.543 88 K N 0.799 121.162 120.400 -0.062 0.000 2.443 88 K HA 0.553 4.873 4.320 -0.001 0.000 0.252 88 K C -1.767 174.770 176.600 -0.105 0.000 0.933 88 K CA -0.731 55.494 56.287 -0.103 0.000 0.792 88 K CB 2.634 35.059 32.500 -0.125 0.000 1.185 88 K HN -0.145 nan 8.250 nan 0.000 0.425 89 L N 1.180 122.325 121.223 -0.130 0.000 2.438 89 L HA 0.469 4.809 4.340 -0.001 0.000 0.270 89 L C -1.325 175.470 176.870 -0.126 0.000 0.972 89 L CA -0.092 54.693 54.840 -0.093 0.000 0.831 89 L CB 2.214 44.250 42.059 -0.037 0.000 1.273 89 L HN 0.639 nan 8.230 nan 0.000 0.405 90 S N 5.194 120.839 115.700 -0.092 0.000 2.519 90 S HA 0.699 5.169 4.470 -0.001 0.000 0.309 90 S C -0.343 174.277 174.600 0.034 0.000 1.100 90 S CA -0.507 57.681 58.200 -0.021 0.000 1.059 90 S CB 0.791 63.984 63.200 -0.012 0.000 1.008 90 S HN 0.702 nan 8.310 nan 0.000 0.478 91 L N 4.185 125.446 121.223 0.064 0.000 3.288 91 L HA 0.383 4.723 4.340 -0.001 0.000 0.293 91 L C 0.515 177.423 176.870 0.064 0.000 1.294 91 L CA -0.267 54.606 54.840 0.054 0.000 1.006 91 L CB 0.519 42.605 42.059 0.046 0.000 1.407 91 L HN 0.662 nan 8.230 nan 0.000 0.592 92 Q N 1.469 121.319 119.800 0.083 0.000 2.330 92 Q HA -0.061 4.278 4.340 -0.001 0.000 0.279 92 Q C 0.600 176.628 176.000 0.047 0.000 1.024 92 Q CA 0.365 56.213 55.803 0.076 0.000 0.900 92 Q CB 0.350 29.144 28.738 0.094 0.000 1.221 92 Q HN 0.304 nan 8.270 nan 0.000 0.396 93 N N 2.472 121.193 118.700 0.036 0.000 2.727 93 N HA -0.194 4.545 4.740 -0.001 0.000 0.251 93 N C -1.231 174.287 175.510 0.014 0.000 1.040 93 N CA 0.801 53.859 53.050 0.015 0.000 0.712 93 N CB -1.352 37.137 38.487 0.004 0.000 0.912 93 N HN 0.605 nan 8.380 nan 0.000 0.545 94 C N -0.139 119.173 119.300 0.019 0.000 2.881 94 C HA 0.340 4.799 4.460 -0.001 0.000 0.290 94 C C 1.191 176.188 174.990 0.012 0.000 1.362 94 C CA 0.168 59.196 59.018 0.017 0.000 1.757 94 C CB -1.797 25.958 27.740 0.025 0.000 2.265 94 C HN 0.829 nan 8.230 nan 0.000 0.600 95 C N 0.581 119.886 119.300 0.008 0.000 4.356 95 C HA -0.202 4.257 4.460 -0.001 0.000 0.296 95 C C 0.307 175.304 174.990 0.012 0.000 1.424 95 C CA -0.071 58.951 59.018 0.006 0.000 2.000 95 C CB -3.192 24.549 27.740 0.001 0.000 1.262 95 C HN 0.712 nan 8.230 nan 0.000 0.789 96 L N 1.966 123.199 121.223 0.017 0.000 2.371 96 L HA 0.671 5.010 4.340 -0.001 0.000 0.272 96 L C 0.727 177.606 176.870 0.016 0.000 1.124 96 L CA 1.456 56.307 54.840 0.018 0.000 0.816 96 L CB 1.038 43.110 42.059 0.022 0.000 1.129 96 L HN 0.533 nan 8.230 nan 0.000 0.448 97 T N 0.535 115.097 114.554 0.012 0.000 2.858 97 T HA 0.518 4.867 4.350 -0.001 0.000 0.285 97 T C 1.049 175.753 174.700 0.007 0.000 1.052 97 T CA -0.280 61.826 62.100 0.011 0.000 1.009 97 T CB 0.965 69.838 68.868 0.009 0.000 1.241 97 T HN 0.639 nan 8.240 nan 0.000 0.542 98 G N 0.110 108.914 108.800 0.006 0.000 2.475 98 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.220 98 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.220 98 G C 1.641 176.540 174.900 -0.003 0.000 1.125 98 G CA 0.921 46.023 45.100 0.002 0.000 0.755 98 G HN 1.213 nan 8.290 nan 0.000 0.565 99 A N 0.292 123.112 122.820 -0.001 0.000 2.121 99 A HA 0.279 4.599 4.320 -0.001 0.000 0.218 99 A C 2.408 179.985 177.584 -0.012 0.000 1.154 99 A CA 1.737 53.772 52.037 -0.003 0.000 0.679 99 A CB -0.347 18.655 19.000 0.004 0.000 0.795 99 A HN 0.533 nan 8.150 nan 0.000 0.458 100 G N -2.365 106.427 108.800 -0.013 0.000 3.126 100 G HA2 0.097 4.057 3.960 -0.001 0.000 0.224 100 G HA3 0.097 4.057 3.960 -0.001 0.000 0.224 100 G C 1.088 175.961 174.900 -0.044 0.000 1.142 100 G CA 0.765 45.847 45.100 -0.030 0.000 0.759 100 G HN 0.462 nan 8.290 nan 0.000 0.550 101 C N 0.624 119.907 119.300 -0.028 0.000 2.446 101 C HA 0.143 4.603 4.460 -0.001 0.000 0.279 101 C C 3.100 178.068 174.990 -0.036 0.000 1.366 101 C CA 0.664 59.667 59.018 -0.024 0.000 1.763 101 C CB -0.700 27.033 27.740 -0.010 0.000 1.929 101 C HN 0.484 nan 8.230 nan 0.000 0.509 102 G N 0.502 109.274 108.800 -0.046 0.000 2.421 102 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.216 102 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.216 102 G C 1.681 176.533 174.900 -0.080 0.000 1.171 102 G CA 1.318 46.386 45.100 -0.052 0.000 0.775 102 G HN 0.385 nan 8.290 nan 0.000 0.543 103 V N 0.464 120.295 119.914 -0.138 0.000 2.427 103 V HA -0.091 4.029 4.120 -0.001 0.000 0.248 103 V C 2.664 178.687 176.094 -0.118 0.000 1.051 103 V CA 1.533 63.707 62.300 -0.210 0.000 1.048 103 V CB -0.240 31.298 31.823 -0.476 0.000 0.666 103 V HN 0.343 nan 8.190 nan 0.000 0.456 104 L N -0.093 121.083 121.223 -0.079 0.000 2.056 104 L HA -0.091 4.249 4.340 -0.001 0.000 0.207 104 L C 2.641 179.499 176.870 -0.020 0.000 1.078 104 L CA 2.324 57.144 54.840 -0.034 0.000 0.749 104 L CB -0.773 41.277 42.059 -0.016 0.000 0.901 104 L HN 0.322 nan 8.230 nan 0.000 0.433 105 S N -0.954 114.732 115.700 -0.022 0.000 2.359 105 S HA -0.221 4.248 4.470 -0.001 0.000 0.224 105 S C 2.271 176.865 174.600 -0.010 0.000 1.035 105 S CA 1.967 60.160 58.200 -0.012 0.000 1.018 105 S CB -0.608 62.584 63.200 -0.014 0.000 0.876 105 S HN 0.794 nan 8.310 nan 0.000 0.448 106 S N 0.221 115.909 115.700 -0.020 0.000 2.368 106 S HA -0.102 4.367 4.470 -0.001 0.000 0.225 106 S C 1.968 176.565 174.600 -0.005 0.000 1.030 106 S CA 1.735 59.927 58.200 -0.013 0.000 0.999 106 S CB -1.542 61.647 63.200 -0.017 0.000 0.844 106 S HN 0.584 nan 8.310 nan 0.000 0.459 107 T N 3.044 117.593 114.554 -0.009 0.000 2.759 107 T HA 0.083 4.433 4.350 -0.001 0.000 0.269 107 T C 1.568 176.273 174.700 0.009 0.000 1.042 107 T CA 1.395 63.497 62.100 0.004 0.000 1.140 107 T CB -0.562 68.309 68.868 0.006 0.000 0.864 107 T HN 0.343 nan 8.240 nan 0.000 0.455 108 L N 0.311 121.539 121.223 0.009 0.000 2.551 108 L HA 0.079 4.419 4.340 -0.001 0.000 0.228 108 L C 2.493 179.373 176.870 0.017 0.000 1.153 108 L CA 0.712 55.562 54.840 0.016 0.000 0.851 108 L CB -0.318 41.754 42.059 0.021 0.000 0.959 108 L HN 0.132 nan 8.230 nan 0.000 0.451 109 R N -0.686 119.822 120.500 0.012 0.000 2.276 109 R HA 0.007 4.346 4.340 -0.001 0.000 0.196 109 R C 1.496 177.804 176.300 0.012 0.000 0.961 109 R CA 1.184 57.292 56.100 0.012 0.000 1.024 109 R CB 0.135 30.440 30.300 0.008 0.000 0.940 109 R HN 0.354 nan 8.270 nan 0.000 0.480 110 T N -3.071 111.490 114.554 0.012 0.000 3.145 110 T HA 0.306 4.656 4.350 -0.001 0.000 0.281 110 T C 0.389 175.096 174.700 0.012 0.000 1.003 110 T CA -0.286 61.821 62.100 0.012 0.000 0.901 110 T CB 0.247 69.122 68.868 0.013 0.000 1.112 110 T HN -0.048 nan 8.240 nan 0.000 0.535 111 L N 2.309 123.539 121.223 0.012 0.000 2.637 111 L HA 0.387 4.726 4.340 -0.001 0.000 0.241 111 L C -1.794 175.082 176.870 0.009 0.000 1.398 111 L CA -2.109 52.737 54.840 0.010 0.000 0.895 111 L CB 1.543 43.608 42.059 0.010 0.000 1.183 111 L HN -0.062 nan 8.230 nan 0.000 0.497 112 P HA -0.164 nan 4.420 nan 0.000 0.219 112 P C 1.508 178.811 177.300 0.005 0.000 1.146 112 P CA 1.295 64.400 63.100 0.009 0.000 0.808 112 P CB -0.045 31.660 31.700 0.009 0.000 0.779 113 T N -2.961 111.594 114.554 0.001 0.000 2.995 113 T HA -0.055 4.295 4.350 -0.001 0.000 0.269 113 T C 0.889 175.583 174.700 -0.010 0.000 1.091 113 T CA -0.053 62.044 62.100 -0.005 0.000 1.128 113 T CB -0.966 67.899 68.868 -0.006 0.000 0.891 113 T HN -0.064 nan 8.240 nan 0.000 0.492 114 L N 2.009 123.228 121.223 -0.007 0.000 2.500 114 L HA 0.254 4.593 4.340 -0.001 0.000 0.272 114 L C 1.059 177.919 176.870 -0.016 0.000 1.149 114 L CA 0.374 55.207 54.840 -0.012 0.000 0.897 114 L CB 0.490 42.547 42.059 -0.004 0.000 1.178 114 L HN 0.171 nan 8.230 nan 0.000 0.473 115 Q N 2.741 122.521 119.800 -0.035 0.000 2.391 115 Q HA 0.207 4.547 4.340 -0.001 0.000 0.243 115 Q C -0.214 175.741 176.000 -0.076 0.000 0.874 115 Q CA 0.175 55.945 55.803 -0.055 0.000 0.950 115 Q CB 1.001 29.703 28.738 -0.060 0.000 1.103 115 Q HN 0.732 nan 8.270 nan 0.000 0.544 116 E N 0.798 120.960 120.200 -0.064 0.000 2.256 116 E HA 0.440 4.790 4.350 -0.001 0.000 0.268 116 E C -1.983 174.586 176.600 -0.053 0.000 0.877 116 E CA -0.651 55.714 56.400 -0.059 0.000 0.757 116 E CB 1.635 31.289 29.700 -0.076 0.000 1.183 116 E HN -0.063 nan 8.360 nan 0.000 0.418 117 L N 4.866 126.112 121.223 0.038 0.000 2.404 117 L HA 0.404 4.744 4.340 -0.001 0.000 0.272 117 L C -1.811 175.200 176.870 0.235 0.000 0.980 117 L CA -0.306 54.575 54.840 0.068 0.000 0.836 117 L CB 1.482 43.583 42.059 0.069 0.000 1.238 117 L HN 0.690 nan 8.230 nan 0.000 0.408 118 H N 6.478 125.557 119.070 0.016 0.000 2.581 118 H HA 0.421 4.977 4.556 -0.001 0.000 0.308 118 H C 0.066 175.411 175.328 0.028 0.000 1.040 118 H CA -0.606 55.454 56.048 0.021 0.000 1.231 118 H CB 1.506 31.278 29.762 0.017 0.000 1.396 118 H HN 0.592 nan 8.280 nan 0.000 0.467 119 L N 2.072 123.378 121.223 0.138 0.000 2.959 119 L HA 0.173 4.513 4.340 -0.001 0.000 0.259 119 L C 0.416 177.331 176.870 0.075 0.000 1.185 119 L CA -0.056 54.838 54.840 0.090 0.000 0.998 119 L CB 0.573 42.675 42.059 0.071 0.000 1.337 119 L HN 0.410 nan 8.230 nan 0.000 0.555 120 S N 0.484 116.226 115.700 0.070 0.000 2.576 120 S HA -0.008 4.462 4.470 -0.001 0.000 0.272 120 S C 0.400 175.051 174.600 0.084 0.000 1.352 120 S CA -0.069 58.176 58.200 0.075 0.000 1.021 120 S CB 0.297 63.534 63.200 0.061 0.000 0.887 120 S HN 0.410 nan 8.310 nan 0.000 0.542 121 D N 0.894 121.363 120.400 0.116 0.000 2.800 121 D HA -0.140 4.499 4.640 -0.001 0.000 0.232 121 D C -0.796 175.528 176.300 0.040 0.000 1.137 121 D CA 0.723 54.764 54.000 0.068 0.000 0.718 121 D CB -1.360 39.449 40.800 0.015 0.000 1.084 121 D HN 0.423 nan 8.370 nan 0.000 0.432 122 N N 0.532 119.265 118.700 0.056 0.000 2.295 122 N HA 0.338 5.078 4.740 -0.001 0.000 0.293 122 N C -0.174 175.361 175.510 0.042 0.000 1.040 122 N CA -0.548 52.525 53.050 0.039 0.000 0.840 122 N CB 1.863 40.373 38.487 0.039 0.000 1.468 122 N HN 0.083 nan 8.380 nan 0.000 0.478 123 L N 3.718 124.959 121.223 0.030 0.000 2.448 123 L HA 0.201 4.541 4.340 -0.001 0.000 0.278 123 L C 1.046 177.931 176.870 0.025 0.000 1.201 123 L CA -0.008 54.850 54.840 0.030 0.000 1.036 123 L CB -0.172 41.899 42.059 0.020 0.000 1.325 123 L HN 0.506 nan 8.230 nan 0.000 0.441 124 L N 3.098 124.338 121.223 0.028 0.000 2.202 124 L HA 0.309 4.649 4.340 -0.001 0.000 0.205 124 L C 1.332 178.211 176.870 0.015 0.000 1.083 124 L CA 0.547 55.400 54.840 0.021 0.000 0.790 124 L CB -0.694 41.379 42.059 0.023 0.000 0.942 124 L HN 0.756 nan 8.230 nan 0.000 0.452 125 G N 0.552 109.363 108.800 0.017 0.000 2.880 125 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.617 125 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.617 125 G C -0.088 174.816 174.900 0.006 0.000 1.493 125 G CA -0.070 45.037 45.100 0.012 0.000 0.916 125 G HN 0.182 nan 8.290 nan 0.000 0.553 126 D N 0.245 120.647 120.400 0.003 0.000 2.117 126 D HA -0.009 4.631 4.640 -0.001 0.000 0.198 126 D C 2.797 179.095 176.300 -0.003 0.000 0.982 126 D CA 2.079 56.078 54.000 -0.002 0.000 0.828 126 D CB -0.536 40.262 40.800 -0.004 0.000 0.967 126 D HN 0.852 nan 8.370 nan 0.000 0.464 127 A N 1.020 123.839 122.820 -0.002 0.000 1.902 127 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 127 A C 2.393 179.975 177.584 -0.003 0.000 1.181 127 A CA 2.180 54.215 52.037 -0.003 0.000 0.623 127 A CB -1.128 17.871 19.000 -0.003 0.000 0.818 127 A HN 0.303 nan 8.150 nan 0.000 0.443 128 G N -0.166 108.633 108.800 -0.001 0.000 2.421 128 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 128 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 128 G C 1.608 176.508 174.900 -0.000 0.000 1.171 128 G CA 1.072 46.172 45.100 -0.001 0.000 0.775 128 G HN 0.534 nan 8.290 nan 0.000 0.543 129 L N -0.010 121.214 121.223 0.002 0.000 1.989 129 L HA -0.174 4.165 4.340 -0.001 0.000 0.211 129 L C 3.064 179.931 176.870 -0.005 0.000 1.071 129 L CA 2.135 56.976 54.840 0.001 0.000 0.749 129 L CB -0.364 41.695 42.059 -0.000 0.000 0.890 129 L HN 0.292 nan 8.230 nan 0.000 0.431 130 Q N -0.674 119.121 119.800 -0.008 0.000 2.061 130 Q HA -0.276 4.064 4.340 -0.001 0.000 0.204 130 Q C 2.193 178.188 176.000 -0.010 0.000 0.984 130 Q CA 2.014 57.811 55.803 -0.011 0.000 0.846 130 Q CB -0.414 28.317 28.738 -0.011 0.000 0.902 130 Q HN 0.452 nan 8.270 nan 0.000 0.421 131 L N 0.279 121.497 121.223 -0.008 0.000 2.042 131 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 131 L C 2.008 178.873 176.870 -0.008 0.000 1.076 131 L CA 1.450 56.284 54.840 -0.009 0.000 0.749 131 L CB -0.680 41.373 42.059 -0.010 0.000 0.893 131 L HN 0.222 nan 8.230 nan 0.000 0.432 132 L N -0.869 120.351 121.223 -0.005 0.000 2.012 132 L HA -0.291 4.049 4.340 -0.001 0.000 0.210 132 L C 2.630 179.501 176.870 0.001 0.000 1.073 132 L CA 1.995 56.836 54.840 0.000 0.000 0.748 132 L CB -0.866 41.197 42.059 0.007 0.000 0.891 132 L HN 0.387 nan 8.230 nan 0.000 0.431 133 C N -0.643 118.654 119.300 -0.005 0.000 2.410 133 C HA -0.161 4.299 4.460 -0.001 0.000 0.281 133 C C 2.533 177.517 174.990 -0.011 0.000 1.318 133 C CA 0.728 59.739 59.018 -0.012 0.000 1.776 133 C CB -1.022 26.704 27.740 -0.023 0.000 1.942 133 C HN 0.570 nan 8.230 nan 0.000 0.508 134 E N 0.417 120.611 120.200 -0.009 0.000 2.058 134 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 134 E C 2.435 179.033 176.600 -0.003 0.000 0.997 134 E CA 1.440 57.835 56.400 -0.008 0.000 0.801 134 E CB -0.424 29.271 29.700 -0.008 0.000 0.746 134 E HN 0.736 nan 8.360 nan 0.000 0.450 135 G N 1.257 110.057 108.800 -0.000 0.000 2.418 135 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 135 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 135 G C 1.562 176.469 174.900 0.012 0.000 1.158 135 G CA 0.499 45.602 45.100 0.005 0.000 0.771 135 G HN 0.096 nan 8.290 nan 0.000 0.545 136 L N -0.081 121.151 121.223 0.014 0.000 2.201 136 L HA 0.069 4.409 4.340 -0.001 0.000 0.212 136 L C 2.649 179.529 176.870 0.015 0.000 1.105 136 L CA 0.278 55.133 54.840 0.025 0.000 0.775 136 L CB -0.231 41.842 42.059 0.023 0.000 0.913 136 L HN 0.191 nan 8.230 nan 0.000 0.440 137 L N -1.175 120.049 121.223 0.001 0.000 2.395 137 L HA -0.043 4.296 4.340 -0.001 0.000 0.218 137 L C 1.017 177.890 176.870 0.004 0.000 1.130 137 L CA 0.082 54.919 54.840 -0.004 0.000 0.826 137 L CB -0.328 41.723 42.059 -0.012 0.000 0.941 137 L HN 0.208 nan 8.230 nan 0.000 0.451 138 D N 1.471 121.876 120.400 0.008 0.000 2.487 138 D HA -0.035 4.605 4.640 -0.001 0.000 0.243 138 D C -1.404 174.905 176.300 0.015 0.000 1.154 138 D CA -1.105 52.901 54.000 0.010 0.000 0.876 138 D CB 1.500 42.306 40.800 0.011 0.000 1.161 138 D HN -0.016 nan 8.370 nan 0.000 0.478 139 P HA -0.168 nan 4.420 nan 0.000 0.220 139 P C 0.957 178.268 177.300 0.018 0.000 1.144 139 P CA 0.957 64.067 63.100 0.016 0.000 0.800 139 P CB 0.393 32.100 31.700 0.011 0.000 0.772 140 Q N -1.111 118.699 119.800 0.017 0.000 2.378 140 Q HA -0.035 4.305 4.340 -0.001 0.000 0.205 140 Q C 0.983 176.996 176.000 0.022 0.000 0.954 140 Q CA 0.298 56.111 55.803 0.017 0.000 0.901 140 Q CB -0.898 27.848 28.738 0.013 0.000 0.981 140 Q HN 0.252 nan 8.270 nan 0.000 0.483 141 C N 2.626 121.942 119.300 0.028 0.000 2.566 141 C HA 0.208 4.667 4.460 -0.001 0.000 0.393 141 C C 0.927 175.947 174.990 0.050 0.000 1.309 141 C CA -0.375 58.666 59.018 0.038 0.000 1.801 141 C CB -0.337 27.430 27.740 0.045 0.000 2.493 141 C HN 0.234 nan 8.230 nan 0.000 0.575 142 R N 4.436 124.963 120.500 0.045 0.000 2.700 142 R HA 0.208 4.548 4.340 -0.001 0.000 0.399 142 R C -0.438 175.887 176.300 0.041 0.000 1.115 142 R CA -0.531 55.596 56.100 0.045 0.000 1.058 142 R CB -0.228 30.085 30.300 0.023 0.000 1.389 142 R HN 0.615 nan 8.270 nan 0.000 0.582 143 L N 1.498 122.764 121.223 0.072 0.000 2.490 143 L HA -0.023 4.317 4.340 -0.001 0.000 0.274 143 L C 1.183 178.028 176.870 -0.042 0.000 1.201 143 L CA 1.192 56.060 54.840 0.046 0.000 0.869 143 L CB 0.566 42.708 42.059 0.140 0.000 1.123 143 L HN 0.220 nan 8.230 nan 0.000 0.484 144 E N 2.208 122.223 120.200 -0.308 0.000 2.453 144 E HA 0.162 4.512 4.350 -0.001 0.000 0.211 144 E C -0.405 175.544 176.600 -1.086 0.000 0.897 144 E CA 0.088 56.094 56.400 -0.657 0.000 1.063 144 E CB 0.661 30.177 29.700 -0.306 0.000 1.080 144 E HN 0.467 nan 8.360 nan 0.000 0.512 145 K N 1.231 121.271 120.400 -0.599 0.000 2.471 145 K HA 0.481 4.801 4.320 -0.001 0.000 0.252 145 K C -1.630 174.915 176.600 -0.091 0.000 0.938 145 K CA -0.737 55.337 56.287 -0.354 0.000 0.796 145 K CB 2.613 35.025 32.500 -0.148 0.000 1.161 145 K HN -0.153 nan 8.250 nan 0.000 0.425 146 L N 2.341 123.591 121.223 0.046 0.000 2.438 146 L HA 0.321 4.661 4.340 -0.001 0.000 0.270 146 L C -1.575 175.361 176.870 0.110 0.000 0.972 146 L CA -0.115 54.824 54.840 0.166 0.000 0.831 146 L CB 2.040 44.297 42.059 0.330 0.000 1.273 146 L HN 0.585 nan 8.230 nan 0.000 0.405 147 Q N 5.996 125.838 119.800 0.070 0.000 2.325 147 Q HA 0.569 4.909 4.340 -0.001 0.000 0.270 147 Q C -0.832 175.176 176.000 0.013 0.000 1.020 147 Q CA -0.374 55.416 55.803 -0.023 0.000 0.785 147 Q CB 2.376 30.982 28.738 -0.219 0.000 1.259 147 Q HN 0.668 nan 8.270 nan 0.000 0.452 148 L N 2.034 123.265 121.223 0.012 0.000 3.193 148 L HA 0.304 4.644 4.340 -0.001 0.000 0.305 148 L C -0.090 176.788 176.870 0.013 0.000 1.299 148 L CA -0.086 54.769 54.840 0.025 0.000 0.904 148 L CB 0.867 42.942 42.059 0.028 0.000 1.331 148 L HN 0.578 nan 8.230 nan 0.000 0.588 149 E N 0.352 120.558 120.200 0.011 0.000 2.360 149 E HA 0.049 4.399 4.350 -0.001 0.000 0.269 149 E C -0.587 176.080 176.600 0.111 0.000 1.022 149 E CA -0.386 56.012 56.400 -0.004 0.000 0.887 149 E CB 0.412 30.110 29.700 -0.002 0.000 0.990 149 E HN 0.180 nan 8.360 nan 0.000 0.426 150 Y N 1.343 121.647 120.300 0.007 0.000 3.027 150 Y HA -0.270 4.280 4.550 -0.001 0.000 0.195 150 Y C 0.361 176.265 175.900 0.006 0.000 1.381 150 Y CA 0.128 58.232 58.100 0.008 0.000 1.015 150 Y CB -1.768 36.697 38.460 0.009 0.000 1.329 150 Y HN 0.522 nan 8.280 nan 0.000 0.462 151 C N -0.729 118.641 119.300 0.115 0.000 3.000 151 C HA 0.380 4.839 4.460 -0.001 0.000 0.286 151 C C 1.504 176.530 174.990 0.060 0.000 1.343 151 C CA 0.566 59.633 59.018 0.080 0.000 1.742 151 C CB -0.619 27.151 27.740 0.051 0.000 2.200 151 C HN 0.836 nan 8.230 nan 0.000 0.621 152 S N 0.641 116.382 115.700 0.068 0.000 3.698 152 S HA -0.157 4.312 4.470 -0.001 0.000 0.338 152 S C -0.091 174.523 174.600 0.023 0.000 1.089 152 S CA 0.333 58.561 58.200 0.046 0.000 0.991 152 S CB -1.406 61.819 63.200 0.042 0.000 0.909 152 S HN 0.632 nan 8.310 nan 0.000 0.485 153 L N 1.720 122.951 121.223 0.013 0.000 2.360 153 L HA 0.716 5.056 4.340 -0.001 0.000 0.271 153 L C 0.731 177.596 176.870 -0.007 0.000 1.057 153 L CA -0.175 54.665 54.840 0.001 0.000 0.803 153 L CB 1.784 43.840 42.059 -0.005 0.000 1.207 153 L HN 0.420 nan 8.230 nan 0.000 0.445 154 S N 0.787 116.481 115.700 -0.010 0.000 2.823 154 S HA 0.600 5.070 4.470 -0.001 0.000 0.316 154 S C 0.877 175.466 174.600 -0.018 0.000 1.116 154 S CA -0.058 58.134 58.200 -0.014 0.000 0.911 154 S CB 1.425 64.619 63.200 -0.010 0.000 1.276 154 S HN 0.643 nan 8.310 nan 0.000 0.565 155 A N 0.487 123.295 122.820 -0.020 0.000 2.032 155 A HA 0.129 4.449 4.320 -0.001 0.000 0.221 155 A C 2.265 179.837 177.584 -0.021 0.000 1.165 155 A CA 2.032 54.055 52.037 -0.022 0.000 0.645 155 A CB -1.729 17.258 19.000 -0.021 0.000 0.807 155 A HN 1.449 nan 8.150 nan 0.000 0.453 156 A N -0.952 121.857 122.820 -0.017 0.000 2.125 156 A HA -0.010 4.309 4.320 -0.001 0.000 0.219 156 A C 2.227 179.800 177.584 -0.018 0.000 1.156 156 A CA 1.756 53.784 52.037 -0.016 0.000 0.671 156 A CB -0.521 18.472 19.000 -0.012 0.000 0.794 156 A HN 0.419 nan 8.150 nan 0.000 0.459 157 S N -1.752 113.937 115.700 -0.019 0.000 2.528 157 S HA -0.055 4.415 4.470 -0.001 0.000 0.219 157 S C 1.557 176.140 174.600 -0.028 0.000 0.985 157 S CA 0.639 58.826 58.200 -0.020 0.000 0.914 157 S CB -0.403 62.787 63.200 -0.016 0.000 0.776 157 S HN 0.741 nan 8.310 nan 0.000 0.526 158 C N 1.558 120.840 119.300 -0.030 0.000 2.464 158 C HA 0.117 4.577 4.460 -0.001 0.000 0.278 158 C C 2.598 177.563 174.990 -0.041 0.000 1.375 158 C CA 0.020 59.016 59.018 -0.037 0.000 1.761 158 C CB -0.750 26.969 27.740 -0.035 0.000 1.944 158 C HN 0.525 nan 8.230 nan 0.000 0.509 159 E N 1.260 121.439 120.200 -0.035 0.000 2.028 159 E HA -0.110 4.240 4.350 -0.001 0.000 0.191 159 E C -0.118 176.457 176.600 -0.042 0.000 0.988 159 E CA 1.590 57.969 56.400 -0.036 0.000 0.799 159 E CB -1.621 28.062 29.700 -0.028 0.000 0.755 159 E HN 0.412 nan 8.360 nan 0.000 0.447 160 P HA -0.150 nan 4.420 nan 0.000 0.215 160 P C 1.704 178.968 177.300 -0.059 0.000 1.157 160 P CA 1.146 64.221 63.100 -0.042 0.000 0.874 160 P CB -0.104 31.577 31.700 -0.032 0.000 0.790 161 L N -1.363 119.821 121.223 -0.065 0.000 2.056 161 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 161 L C 2.493 179.288 176.870 -0.125 0.000 1.078 161 L CA 1.465 56.247 54.840 -0.097 0.000 0.749 161 L CB -1.145 40.865 42.059 -0.081 0.000 0.901 161 L HN -0.052 nan 8.230 nan 0.000 0.433 162 A N 0.247 123.011 122.820 -0.094 0.000 1.908 162 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 162 A C 2.544 180.070 177.584 -0.097 0.000 1.181 162 A CA 2.192 54.173 52.037 -0.093 0.000 0.627 162 A CB -0.800 18.161 19.000 -0.065 0.000 0.818 162 A HN 0.534 nan 8.150 nan 0.000 0.445 163 S N -0.385 115.267 115.700 -0.080 0.000 2.382 163 S HA -0.128 4.341 4.470 -0.001 0.000 0.228 163 S C 1.759 176.304 174.600 -0.091 0.000 1.027 163 S CA 1.502 59.659 58.200 -0.071 0.000 0.991 163 S CB -0.950 62.219 63.200 -0.051 0.000 0.823 163 S HN 0.271 nan 8.310 nan 0.000 0.469 164 V N 2.216 122.057 119.914 -0.122 0.000 2.343 164 V HA -0.115 4.005 4.120 -0.001 0.000 0.247 164 V C 2.599 178.542 176.094 -0.252 0.000 1.051 164 V CA 1.849 64.050 62.300 -0.165 0.000 1.036 164 V CB -0.893 30.817 31.823 -0.188 0.000 0.654 164 V HN 0.469 nan 8.190 nan 0.000 0.451 165 L N -0.594 120.448 121.223 -0.302 0.000 2.046 165 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 165 L C 2.775 179.552 176.870 -0.154 0.000 1.077 165 L CA 1.634 56.283 54.840 -0.318 0.000 0.747 165 L CB -0.620 41.284 42.059 -0.259 0.000 0.896 165 L HN 0.227 nan 8.230 nan 0.000 0.432 166 R N -0.041 120.394 120.500 -0.109 0.000 2.096 166 R HA -0.115 4.225 4.340 -0.001 0.000 0.235 166 R C 2.265 178.539 176.300 -0.044 0.000 1.127 166 R CA 1.310 57.373 56.100 -0.061 0.000 0.968 166 R CB -0.422 29.848 30.300 -0.050 0.000 0.861 166 R HN 0.349 nan 8.270 nan 0.000 0.440 167 A N 0.782 123.570 122.820 -0.052 0.000 2.167 167 A HA -0.012 4.308 4.320 -0.001 0.000 0.214 167 A C 0.302 177.885 177.584 -0.002 0.000 1.151 167 A CA 0.755 52.777 52.037 -0.026 0.000 0.735 167 A CB 0.287 19.270 19.000 -0.028 0.000 0.802 167 A HN -0.057 nan 8.150 nan 0.000 0.467 168 K N 0.114 120.514 120.400 0.000 0.000 2.530 168 K HA 0.322 4.642 4.320 -0.001 0.000 0.230 168 K C -2.539 174.120 176.600 0.099 0.000 1.002 168 K CA -2.340 53.992 56.287 0.075 0.000 1.014 168 K CB 1.230 33.834 32.500 0.173 0.000 1.286 168 K HN 0.010 nan 8.250 nan 0.000 0.480 169 P HA -0.125 nan 4.420 nan 0.000 0.223 169 P C 0.478 177.827 177.300 0.083 0.000 1.144 169 P CA 0.990 64.128 63.100 0.064 0.000 0.783 169 P CB 0.420 32.144 31.700 0.040 0.000 0.771 170 D N -2.141 118.320 120.400 0.102 0.000 2.342 170 D HA 0.044 4.684 4.640 -0.001 0.000 0.221 170 D C -0.182 176.168 176.300 0.083 0.000 1.101 170 D CA -0.522 53.523 54.000 0.074 0.000 0.837 170 D CB -0.591 40.235 40.800 0.044 0.000 0.938 170 D HN -0.056 nan 8.370 nan 0.000 0.508 171 F N 0.958 120.908 119.950 0.001 0.000 2.484 171 F HA 0.196 4.722 4.527 -0.001 0.000 0.360 171 F C 1.617 177.417 175.800 0.000 0.000 1.101 171 F CA 0.599 58.599 58.000 0.001 0.000 1.251 171 F CB 0.974 39.974 39.000 -0.001 0.000 1.132 171 F HN -0.236 nan 8.300 nan 0.000 0.570 172 K N 1.815 122.042 120.400 -0.288 0.000 2.403 172 K HA 0.120 4.440 4.320 -0.001 0.000 0.199 172 K C -0.352 176.192 176.600 -0.094 0.000 1.199 172 K CA 0.035 56.237 56.287 -0.142 0.000 0.924 172 K CB 0.775 33.176 32.500 -0.164 0.000 1.137 172 K HN 0.570 nan 8.250 nan 0.000 0.510 173 E N 1.201 121.283 120.200 -0.198 0.000 2.304 173 E HA 0.272 4.622 4.350 -0.001 0.000 0.277 173 E C -2.030 174.638 176.600 0.113 0.000 0.898 173 E CA -0.584 55.796 56.400 -0.033 0.000 0.764 173 E CB 1.724 31.383 29.700 -0.067 0.000 1.216 173 E HN -0.088 nan 8.360 nan 0.000 0.419 174 L N 3.527 124.863 121.223 0.187 0.000 2.376 174 L HA 0.532 4.872 4.340 -0.001 0.000 0.275 174 L C -1.311 175.604 176.870 0.075 0.000 0.987 174 L CA -0.027 54.936 54.840 0.205 0.000 0.828 174 L CB 2.057 44.241 42.059 0.208 0.000 1.249 174 L HN 0.499 nan 8.230 nan 0.000 0.409 175 T N 4.431 119.010 114.554 0.042 0.000 2.792 175 T HA 0.548 4.897 4.350 -0.001 0.000 0.280 175 T C 0.207 174.903 174.700 -0.007 0.000 0.990 175 T CA -0.355 61.743 62.100 -0.003 0.000 0.960 175 T CB 1.564 70.407 68.868 -0.041 0.000 0.939 175 T HN 0.354 nan 8.240 nan 0.000 0.439 176 V N 1.407 121.307 119.914 -0.023 0.000 3.261 176 V HA 0.152 4.272 4.120 -0.001 0.000 0.330 176 V C 0.769 176.821 176.094 -0.070 0.000 1.461 176 V CA -0.567 61.712 62.300 -0.036 0.000 1.127 176 V CB 0.106 31.911 31.823 -0.030 0.000 1.044 176 V HN 0.859 nan 8.190 nan 0.000 0.499 177 S N 1.715 117.368 115.700 -0.079 0.000 2.558 177 S HA 0.087 4.557 4.470 -0.001 0.000 0.287 177 S C 0.806 175.262 174.600 -0.240 0.000 1.321 177 S CA 0.494 58.621 58.200 -0.121 0.000 1.048 177 S CB -0.217 62.938 63.200 -0.075 0.000 0.844 177 S HN 0.812 nan 8.310 nan 0.000 0.512 178 N N 1.198 119.713 118.700 -0.308 0.000 2.738 178 N HA -0.164 4.575 4.740 -0.001 0.000 0.249 178 N C -1.332 173.976 175.510 -0.336 0.000 1.047 178 N CA 0.497 53.233 53.050 -0.524 0.000 0.707 178 N CB -1.132 36.507 38.487 -1.413 0.000 0.937 178 N HN 0.524 nan 8.380 nan 0.000 0.545 179 N N 0.679 119.275 118.700 -0.173 0.000 2.260 179 N HA 0.119 4.859 4.740 -0.001 0.000 0.293 179 N C -1.245 174.224 175.510 -0.069 0.000 1.058 179 N CA -0.617 52.381 53.050 -0.087 0.000 0.824 179 N CB 1.178 39.630 38.487 -0.059 0.000 1.551 179 N HN 0.197 nan 8.380 nan 0.000 0.475 180 D N 1.986 122.360 120.400 -0.043 0.000 2.688 180 D HA 0.037 4.676 4.640 -0.001 0.000 0.228 180 D C 1.426 177.706 176.300 -0.033 0.000 1.116 180 D CA -0.404 53.574 54.000 -0.037 0.000 1.023 180 D CB -0.380 40.407 40.800 -0.023 0.000 1.100 180 D HN 0.648 nan 8.370 nan 0.000 0.487 181 I N -2.539 118.007 120.570 -0.041 0.000 2.716 181 I HA -0.027 4.143 4.170 -0.001 0.000 0.259 181 I C -0.099 175.997 176.117 -0.035 0.000 1.172 181 I CA -0.255 61.024 61.300 -0.036 0.000 1.478 181 I CB -0.431 37.546 38.000 -0.039 0.000 1.104 181 I HN -0.046 nan 8.210 nan 0.000 0.439 182 N N 1.651 120.327 118.700 -0.039 0.000 6.750 182 N HA -0.301 4.438 4.740 -0.001 0.000 0.412 182 N C 0.770 176.258 175.510 -0.035 0.000 0.937 182 N CA 1.223 54.252 53.050 -0.037 0.000 1.334 182 N CB -0.458 38.011 38.487 -0.030 0.000 0.815 182 N HN 0.539 nan 8.380 nan 0.000 0.330 183 E N 0.163 120.344 120.200 -0.032 0.000 2.058 183 E HA -0.113 4.236 4.350 -0.001 0.000 0.194 183 E C 1.698 178.280 176.600 -0.029 0.000 0.997 183 E CA 1.763 58.144 56.400 -0.031 0.000 0.801 183 E CB -0.218 29.465 29.700 -0.028 0.000 0.746 183 E HN 0.575 nan 8.360 nan 0.000 0.450 184 A N 0.441 123.245 122.820 -0.026 0.000 1.929 184 A HA -0.008 4.311 4.320 -0.001 0.000 0.216 184 A C 2.359 179.927 177.584 -0.027 0.000 1.176 184 A CA 1.415 53.438 52.037 -0.025 0.000 0.628 184 A CB -0.900 18.087 19.000 -0.021 0.000 0.816 184 A HN 0.443 nan 8.150 nan 0.000 0.444 185 G N -0.456 108.327 108.800 -0.029 0.000 2.402 185 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.216 185 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.216 185 G C 1.490 176.370 174.900 -0.034 0.000 1.162 185 G CA 1.229 46.310 45.100 -0.031 0.000 0.777 185 G HN 0.292 nan 8.290 nan 0.000 0.539 186 V N 0.650 120.543 119.914 -0.035 0.000 2.358 186 V HA -0.138 3.981 4.120 -0.001 0.000 0.246 186 V C 2.769 178.843 176.094 -0.034 0.000 1.047 186 V CA 2.041 64.319 62.300 -0.037 0.000 1.035 186 V CB -0.461 31.338 31.823 -0.040 0.000 0.658 186 V HN 0.395 nan 8.190 nan 0.000 0.452 187 R N -0.086 120.395 120.500 -0.031 0.000 2.091 187 R HA -0.151 4.188 4.340 -0.001 0.000 0.238 187 R C 2.228 178.510 176.300 -0.030 0.000 1.136 187 R CA 1.827 57.910 56.100 -0.029 0.000 0.959 187 R CB -0.340 29.944 30.300 -0.026 0.000 0.856 187 R HN 0.390 nan 8.270 nan 0.000 0.437 188 V N 1.405 121.300 119.914 -0.031 0.000 2.343 188 V HA -0.246 3.873 4.120 -0.001 0.000 0.247 188 V C 2.417 178.488 176.094 -0.038 0.000 1.051 188 V CA 1.625 63.905 62.300 -0.033 0.000 1.036 188 V CB -0.359 31.445 31.823 -0.031 0.000 0.654 188 V HN 0.356 nan 8.190 nan 0.000 0.451 189 L N -1.005 120.194 121.223 -0.040 0.000 2.017 189 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 189 L C 2.662 179.507 176.870 -0.043 0.000 1.073 189 L CA 1.731 56.544 54.840 -0.046 0.000 0.745 189 L CB -0.674 41.359 42.059 -0.043 0.000 0.894 189 L HN 0.406 nan 8.230 nan 0.000 0.432 190 C N -0.716 118.563 119.300 -0.036 0.000 2.413 190 C HA -0.208 4.252 4.460 -0.001 0.000 0.276 190 C C 2.851 177.821 174.990 -0.033 0.000 1.236 190 C CA 0.927 59.926 59.018 -0.032 0.000 1.735 190 C CB -0.627 27.094 27.740 -0.031 0.000 2.031 190 C HN 0.523 nan 8.230 nan 0.000 0.474 191 Q N 1.059 120.839 119.800 -0.032 0.000 2.096 191 Q HA -0.057 4.283 4.340 -0.001 0.000 0.204 191 Q C 2.183 178.163 176.000 -0.035 0.000 0.982 191 Q CA 2.277 58.062 55.803 -0.031 0.000 0.850 191 Q CB -0.781 27.940 28.738 -0.028 0.000 0.901 191 Q HN 0.621 nan 8.270 nan 0.000 0.422 192 G N 0.248 109.023 108.800 -0.043 0.000 2.446 192 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 192 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 192 G C 1.354 176.222 174.900 -0.053 0.000 1.168 192 G CA 0.944 46.012 45.100 -0.054 0.000 0.771 192 G HN 0.386 nan 8.290 nan 0.000 0.551 193 L N -0.115 121.080 121.223 -0.047 0.000 2.056 193 L HA -0.030 4.309 4.340 -0.001 0.000 0.207 193 L C 2.843 179.699 176.870 -0.023 0.000 1.078 193 L CA 1.442 56.262 54.840 -0.033 0.000 0.749 193 L CB -0.355 41.691 42.059 -0.022 0.000 0.901 193 L HN 0.221 nan 8.230 nan 0.000 0.433 194 K N 0.170 120.555 120.400 -0.025 0.000 2.032 194 K HA -0.213 4.107 4.320 -0.001 0.000 0.209 194 K C 1.674 178.263 176.600 -0.019 0.000 1.048 194 K CA 1.864 58.137 56.287 -0.022 0.000 0.927 194 K CB 0.037 32.522 32.500 -0.025 0.000 0.712 194 K HN 0.249 nan 8.250 nan 0.000 0.441 195 D N 0.279 120.665 120.400 -0.023 0.000 2.178 195 D HA -0.088 4.551 4.640 -0.001 0.000 0.202 195 D C 0.754 177.043 176.300 -0.018 0.000 0.974 195 D CA 0.587 54.575 54.000 -0.020 0.000 0.841 195 D CB -0.262 40.523 40.800 -0.025 0.000 0.953 195 D HN 0.062 nan 8.370 nan 0.000 0.478 196 S N 1.079 116.766 115.700 -0.021 0.000 2.564 196 S HA 0.109 4.578 4.470 -0.001 0.000 0.278 196 S C -1.626 172.974 174.600 0.000 0.000 1.333 196 S CA -1.268 56.923 58.200 -0.015 0.000 1.048 196 S CB 1.283 64.468 63.200 -0.025 0.000 0.900 196 S HN -0.085 nan 8.310 nan 0.000 0.505 197 P HA 0.087 nan 4.420 nan 0.000 0.242 197 P C 0.657 177.975 177.300 0.029 0.000 1.197 197 P CA -0.057 63.052 63.100 0.016 0.000 0.765 197 P CB -1.173 30.536 31.700 0.015 0.000 0.936 198 C N 0.954 120.280 119.300 0.043 0.000 2.538 198 C HA 0.125 4.585 4.460 -0.001 0.000 0.408 198 C C 1.030 176.055 174.990 0.058 0.000 1.421 198 C CA -0.629 58.433 59.018 0.073 0.000 1.642 198 C CB -0.719 27.102 27.740 0.134 0.000 2.553 198 C HN 0.212 nan 8.230 nan 0.000 0.604 199 Q N 2.396 122.226 119.800 0.051 0.000 3.254 199 Q HA 0.223 4.562 4.340 -0.001 0.000 0.315 199 Q C 0.086 176.111 176.000 0.042 0.000 1.405 199 Q CA -0.024 55.801 55.803 0.037 0.000 0.966 199 Q CB -0.082 28.671 28.738 0.025 0.000 1.706 199 Q HN 0.873 nan 8.270 nan 0.000 0.525 200 L N 1.234 122.493 121.223 0.059 0.000 2.559 200 L HA -0.135 4.205 4.340 -0.001 0.000 0.282 200 L C 1.064 177.954 176.870 0.034 0.000 1.232 200 L CA 1.141 56.022 54.840 0.068 0.000 0.885 200 L CB 0.540 42.650 42.059 0.084 0.000 1.131 200 L HN 0.365 nan 8.230 nan 0.000 0.498 201 E N 3.283 123.494 120.200 0.018 0.000 2.372 201 E HA 0.365 4.714 4.350 -0.001 0.000 0.201 201 E C -0.335 176.263 176.600 -0.002 0.000 0.938 201 E CA 0.380 56.782 56.400 0.002 0.000 0.944 201 E CB 0.542 30.234 29.700 -0.013 0.000 0.937 201 E HN 0.676 nan 8.360 nan 0.000 0.495 202 A N 1.266 124.087 122.820 0.002 0.000 2.488 202 A HA 0.603 4.923 4.320 -0.001 0.000 0.298 202 A C -1.891 175.701 177.584 0.013 0.000 1.044 202 A CA -0.593 51.440 52.037 -0.007 0.000 0.693 202 A CB 1.360 20.340 19.000 -0.034 0.000 1.272 202 A HN 0.069 nan 8.150 nan 0.000 0.402 203 L N 1.620 122.848 121.223 0.009 0.000 2.409 203 L HA 0.679 5.019 4.340 -0.001 0.000 0.272 203 L C -0.954 175.918 176.870 0.003 0.000 0.980 203 L CA -0.162 54.688 54.840 0.016 0.000 0.826 203 L CB 1.705 43.773 42.059 0.015 0.000 1.268 203 L HN 0.646 nan 8.230 nan 0.000 0.407 204 K N 6.764 127.163 120.400 -0.001 0.000 2.502 204 K HA 0.579 4.899 4.320 -0.001 0.000 0.254 204 K C -0.980 175.611 176.600 -0.015 0.000 0.947 204 K CA -0.431 55.853 56.287 -0.005 0.000 0.834 204 K CB 1.826 34.317 32.500 -0.014 0.000 1.112 204 K HN 0.566 nan 8.250 nan 0.000 0.427 205 L N 2.893 124.102 121.223 -0.024 0.000 2.913 205 L HA 0.235 4.574 4.340 -0.001 0.000 0.283 205 L C -0.317 176.509 176.870 -0.074 0.000 1.336 205 L CA -0.316 54.495 54.840 -0.048 0.000 0.815 205 L CB 0.566 42.597 42.059 -0.048 0.000 1.188 205 L HN 0.506 nan 8.230 nan 0.000 0.551 206 E N 0.178 120.341 120.200 -0.061 0.000 2.331 206 E HA 0.250 4.600 4.350 -0.001 0.000 0.272 206 E C 0.279 176.804 176.600 -0.125 0.000 1.036 206 E CA -0.334 56.006 56.400 -0.100 0.000 0.864 206 E CB 1.015 30.735 29.700 0.034 0.000 1.035 206 E HN 0.258 nan 8.360 nan 0.000 0.408 207 S N 0.771 116.365 115.700 -0.176 0.000 3.550 207 S HA -0.179 4.291 4.470 -0.001 0.000 0.372 207 S C 0.293 174.816 174.600 -0.128 0.000 0.966 207 S CA 0.240 58.353 58.200 -0.144 0.000 1.229 207 S CB -1.613 61.521 63.200 -0.110 0.000 0.917 207 S HN 0.662 nan 8.310 nan 0.000 0.496 208 C N 0.026 119.256 119.300 -0.116 0.000 3.336 208 C HA 0.528 4.988 4.460 -0.001 0.000 0.291 208 C C 1.901 176.846 174.990 -0.076 0.000 1.363 208 C CA 0.031 58.993 59.018 -0.093 0.000 1.737 208 C CB -0.658 27.031 27.740 -0.085 0.000 2.274 208 C HN 1.395 nan 8.230 nan 0.000 0.663 209 G N 1.691 110.444 108.800 -0.079 0.000 2.198 209 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.257 209 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.257 209 G C 0.025 174.887 174.900 -0.063 0.000 1.042 209 G CA 0.387 45.449 45.100 -0.065 0.000 0.791 209 G HN 0.420 nan 8.290 nan 0.000 0.502 210 V N 1.371 121.240 119.914 -0.075 0.000 2.655 210 V HA 0.528 4.648 4.120 -0.001 0.000 0.300 210 V C 1.258 177.313 176.094 -0.066 0.000 1.044 210 V CA 0.677 62.935 62.300 -0.069 0.000 1.095 210 V CB 1.001 32.777 31.823 -0.079 0.000 0.952 210 V HN 0.836 nan 8.190 nan 0.000 0.485 211 T N 0.935 115.457 114.554 -0.053 0.000 2.949 211 T HA 0.328 4.678 4.350 -0.001 0.000 0.287 211 T C 1.174 175.848 174.700 -0.043 0.000 1.034 211 T CA -0.079 61.992 62.100 -0.047 0.000 1.018 211 T CB 1.591 70.437 68.868 -0.038 0.000 1.135 211 T HN 0.435 nan 8.240 nan 0.000 0.532 212 S N 0.740 116.417 115.700 -0.038 0.000 2.374 212 S HA -0.152 4.317 4.470 -0.001 0.000 0.227 212 S C 1.551 176.134 174.600 -0.028 0.000 1.037 212 S CA 1.694 59.874 58.200 -0.032 0.000 1.024 212 S CB -0.642 62.541 63.200 -0.027 0.000 0.861 212 S HN 0.796 nan 8.310 nan 0.000 0.456 213 D N 1.132 121.516 120.400 -0.026 0.000 2.178 213 D HA -0.019 4.621 4.640 -0.001 0.000 0.202 213 D C 1.548 177.833 176.300 -0.025 0.000 0.974 213 D CA 0.727 54.713 54.000 -0.022 0.000 0.841 213 D CB -0.670 40.117 40.800 -0.021 0.000 0.953 213 D HN 0.453 nan 8.370 nan 0.000 0.478 214 N N -0.488 118.194 118.700 -0.029 0.000 2.443 214 N HA -0.108 4.632 4.740 -0.001 0.000 0.184 214 N C 1.472 176.963 175.510 -0.031 0.000 1.037 214 N CA 0.369 53.400 53.050 -0.031 0.000 0.896 214 N CB 0.065 38.530 38.487 -0.037 0.000 0.959 214 N HN 0.140 nan 8.380 nan 0.000 0.442 215 C N 0.549 119.831 119.300 -0.030 0.000 2.432 215 C HA 0.029 4.488 4.460 -0.001 0.000 0.280 215 C C 2.366 177.343 174.990 -0.022 0.000 1.353 215 C CA 0.269 59.271 59.018 -0.027 0.000 1.766 215 C CB -0.944 26.781 27.740 -0.025 0.000 1.924 215 C HN 0.465 nan 8.230 nan 0.000 0.509 216 R N 0.978 121.466 120.500 -0.020 0.000 2.096 216 R HA -0.108 4.231 4.340 -0.001 0.000 0.235 216 R C 1.646 177.932 176.300 -0.023 0.000 1.127 216 R CA 1.374 57.464 56.100 -0.018 0.000 0.968 216 R CB -0.384 29.907 30.300 -0.014 0.000 0.861 216 R HN 0.600 nan 8.270 nan 0.000 0.440 217 D N 0.921 121.306 120.400 -0.025 0.000 2.097 217 D HA -0.129 4.511 4.640 -0.001 0.000 0.195 217 D C 2.032 178.313 176.300 -0.031 0.000 0.989 217 D CA 1.159 55.143 54.000 -0.028 0.000 0.827 217 D CB -0.094 40.689 40.800 -0.028 0.000 0.966 217 D HN 0.175 nan 8.370 nan 0.000 0.456 218 L N 0.464 121.669 121.223 -0.031 0.000 2.156 218 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 218 L C 2.794 179.643 176.870 -0.035 0.000 1.095 218 L CA 0.350 55.171 54.840 -0.031 0.000 0.770 218 L CB -0.339 41.703 42.059 -0.027 0.000 0.914 218 L HN 0.148 nan 8.230 nan 0.000 0.439 219 C N 0.621 119.900 119.300 -0.035 0.000 2.385 219 C HA -0.203 4.256 4.460 -0.001 0.000 0.275 219 C C 2.947 177.890 174.990 -0.079 0.000 1.207 219 C CA 1.323 60.315 59.018 -0.044 0.000 1.760 219 C CB -1.270 26.453 27.740 -0.029 0.000 2.051 219 C HN 0.673 nan 8.230 nan 0.000 0.467 220 G N 0.527 109.287 108.800 -0.067 0.000 2.440 220 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.218 220 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.218 220 G C 1.411 176.262 174.900 -0.082 0.000 1.154 220 G CA 1.186 46.239 45.100 -0.078 0.000 0.767 220 G HN 0.496 nan 8.290 nan 0.000 0.552 221 I N 0.851 121.386 120.570 -0.059 0.000 2.252 221 I HA -0.085 4.085 4.170 -0.001 0.000 0.245 221 I C 2.954 179.039 176.117 -0.052 0.000 1.102 221 I CA 0.640 61.912 61.300 -0.046 0.000 1.385 221 I CB -1.157 36.825 38.000 -0.030 0.000 1.064 221 I HN 0.041 nan 8.210 nan 0.000 0.414 222 V N 1.318 121.196 119.914 -0.059 0.000 2.427 222 V HA -0.178 3.941 4.120 -0.001 0.000 0.248 222 V C 2.794 178.831 176.094 -0.096 0.000 1.051 222 V CA 1.569 63.838 62.300 -0.053 0.000 1.048 222 V CB -1.032 30.770 31.823 -0.034 0.000 0.666 222 V HN 0.434 nan 8.190 nan 0.000 0.456 223 A N -0.911 121.794 122.820 -0.192 0.000 1.972 223 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 223 A C 2.436 179.904 177.584 -0.192 0.000 1.169 223 A CA 2.199 54.014 52.037 -0.370 0.000 0.635 223 A CB -0.421 18.163 19.000 -0.693 0.000 0.810 223 A HN 0.483 nan 8.150 nan 0.000 0.446 224 S N -0.885 114.746 115.700 -0.116 0.000 2.486 224 S HA 0.094 4.564 4.470 -0.001 0.000 0.220 224 S C 0.412 174.995 174.600 -0.028 0.000 1.011 224 S CA 0.295 58.459 58.200 -0.059 0.000 0.921 224 S CB 0.143 63.314 63.200 -0.049 0.000 0.785 224 S HN 0.329 nan 8.310 nan 0.000 0.517 225 K N 1.892 122.277 120.400 -0.024 0.000 2.423 225 K HA 0.474 4.793 4.320 -0.001 0.000 0.234 225 K C 0.415 177.016 176.600 0.002 0.000 1.051 225 K CA -0.250 56.034 56.287 -0.005 0.000 1.021 225 K CB 0.877 33.378 32.500 0.000 0.000 1.474 225 K HN 0.126 nan 8.250 nan 0.000 0.474 226 A N 1.443 124.268 122.820 0.008 0.000 2.125 226 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 226 A C 1.889 179.482 177.584 0.016 0.000 1.156 226 A CA 1.883 53.929 52.037 0.015 0.000 0.671 226 A CB -0.233 18.779 19.000 0.020 0.000 0.794 226 A HN 0.593 nan 8.150 nan 0.000 0.459 227 S N -0.962 114.747 115.700 0.015 0.000 2.489 227 S HA 0.103 4.573 4.470 -0.001 0.000 0.228 227 S C 0.590 175.198 174.600 0.014 0.000 0.995 227 S CA 0.021 58.230 58.200 0.015 0.000 0.934 227 S CB -0.601 62.609 63.200 0.016 0.000 0.771 227 S HN 0.338 nan 8.310 nan 0.000 0.522 228 L N 2.967 124.198 121.223 0.013 0.000 2.477 228 L HA 0.283 4.622 4.340 -0.001 0.000 0.272 228 L C 1.201 178.080 176.870 0.014 0.000 1.157 228 L CA 0.087 54.935 54.840 0.013 0.000 0.889 228 L CB 0.340 42.406 42.059 0.011 0.000 1.158 228 L HN 0.012 nan 8.230 nan 0.000 0.473 229 R N 2.750 123.255 120.500 0.009 0.000 2.195 229 R HA 0.241 4.581 4.340 -0.001 0.000 0.197 229 R C -0.140 176.165 176.300 0.007 0.000 0.990 229 R CA 0.295 56.401 56.100 0.009 0.000 1.048 229 R CB 0.220 30.520 30.300 0.001 0.000 0.997 229 R HN 0.721 nan 8.270 nan 0.000 0.502 230 E N 0.746 120.944 120.200 -0.003 0.000 2.246 230 E HA 0.334 4.684 4.350 -0.001 0.000 0.266 230 E C -1.721 174.881 176.600 0.002 0.000 0.880 230 E CA -0.645 55.746 56.400 -0.015 0.000 0.762 230 E CB 1.411 31.072 29.700 -0.066 0.000 1.180 230 E HN -0.141 nan 8.360 nan 0.000 0.416 231 L N 3.928 125.170 121.223 0.031 0.000 2.404 231 L HA 0.726 5.066 4.340 -0.001 0.000 0.272 231 L C -1.713 175.210 176.870 0.087 0.000 0.980 231 L CA -0.296 54.570 54.840 0.042 0.000 0.836 231 L CB 1.574 43.657 42.059 0.041 0.000 1.238 231 L HN 0.568 nan 8.230 nan 0.000 0.408 232 A N 5.685 128.550 122.820 0.074 0.000 2.319 232 A HA 0.781 5.100 4.320 -0.001 0.000 0.310 232 A C -0.463 177.156 177.584 0.059 0.000 1.152 232 A CA -0.315 51.811 52.037 0.149 0.000 0.783 232 A CB 0.779 19.864 19.000 0.141 0.000 1.184 232 A HN 0.788 nan 8.150 nan 0.000 0.474 233 L N 3.047 124.273 121.223 0.006 0.000 3.431 233 L HA 0.269 4.609 4.340 -0.001 0.000 0.316 233 L C 1.152 177.833 176.870 -0.316 0.000 1.305 233 L CA -0.329 54.441 54.840 -0.117 0.000 0.995 233 L CB 0.712 42.719 42.059 -0.085 0.000 1.411 233 L HN 0.832 nan 8.230 nan 0.000 0.610 234 G N -0.820 107.665 108.800 -0.524 0.000 2.614 234 G HA2 0.202 4.162 3.960 -0.001 0.000 0.239 234 G HA3 0.202 4.162 3.960 -0.001 0.000 0.239 234 G C 0.677 174.848 174.900 -1.215 0.000 1.240 234 G CA 0.474 44.698 45.100 -1.460 0.000 0.842 234 G HN 0.195 nan 8.290 nan 0.000 0.584 235 S N -0.049 114.913 115.700 -1.230 0.000 3.711 235 S HA -0.167 4.303 4.470 -0.001 0.000 0.374 235 S C 0.161 174.544 174.600 -0.362 0.000 0.969 235 S CA 0.800 58.613 58.200 -0.646 0.000 1.198 235 S CB -1.564 61.311 63.200 -0.541 0.000 0.903 235 S HN 0.813 nan 8.310 nan 0.000 0.493 236 N N 0.908 119.423 118.700 -0.309 0.000 2.284 236 N HA 0.293 5.032 4.740 -0.001 0.000 0.289 236 N C -0.887 174.531 175.510 -0.152 0.000 1.179 236 N CA -0.802 52.131 53.050 -0.194 0.000 0.774 236 N CB 1.309 39.690 38.487 -0.176 0.000 1.548 236 N HN 0.244 nan 8.380 nan 0.000 0.473 237 K N 2.021 122.357 120.400 -0.107 0.000 2.307 237 K HA 0.300 4.619 4.320 -0.001 0.000 0.240 237 K C 1.093 177.650 176.600 -0.072 0.000 1.214 237 K CA -0.026 56.212 56.287 -0.081 0.000 1.149 237 K CB 0.167 32.631 32.500 -0.061 0.000 1.668 237 K HN 0.343 nan 8.250 nan 0.000 0.314 238 L N 0.453 121.627 121.223 -0.082 0.000 2.068 238 L HA 0.013 4.352 4.340 -0.001 0.000 0.204 238 L C 1.183 178.024 176.870 -0.048 0.000 1.076 238 L CA 0.797 55.597 54.840 -0.067 0.000 0.753 238 L CB -0.785 41.228 42.059 -0.076 0.000 0.910 238 L HN 0.776 nan 8.230 nan 0.000 0.439 239 G N 0.339 109.111 108.800 -0.047 0.000 2.828 239 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.463 239 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.463 239 G C -0.072 174.813 174.900 -0.025 0.000 1.394 239 G CA -0.069 45.011 45.100 -0.033 0.000 0.862 239 G HN 0.209 nan 8.290 nan 0.000 0.540 240 D N -0.714 119.677 120.400 -0.016 0.000 2.178 240 D HA -0.053 4.586 4.640 -0.001 0.000 0.202 240 D C 2.708 179.003 176.300 -0.010 0.000 0.974 240 D CA 1.441 55.435 54.000 -0.009 0.000 0.841 240 D CB -0.115 40.682 40.800 -0.004 0.000 0.953 240 D HN 0.302 nan 8.370 nan 0.000 0.478 241 V N 1.155 121.062 119.914 -0.012 0.000 2.358 241 V HA -0.145 3.975 4.120 -0.001 0.000 0.246 241 V C 2.602 178.688 176.094 -0.013 0.000 1.047 241 V CA 1.970 64.264 62.300 -0.011 0.000 1.035 241 V CB -0.979 30.836 31.823 -0.012 0.000 0.658 241 V HN 0.219 nan 8.190 nan 0.000 0.452 242 G N -0.255 108.534 108.800 -0.020 0.000 2.446 242 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.217 242 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.217 242 G C 1.538 176.427 174.900 -0.017 0.000 1.168 242 G CA 1.190 46.276 45.100 -0.023 0.000 0.771 242 G HN 0.299 nan 8.290 nan 0.000 0.551 243 M N 1.335 120.926 119.600 -0.015 0.000 2.106 243 M HA -0.044 4.436 4.480 -0.001 0.000 0.259 243 M C 2.972 179.272 176.300 -0.000 0.000 1.068 243 M CA 1.281 56.577 55.300 -0.007 0.000 1.100 243 M CB -1.411 31.186 32.600 -0.004 0.000 1.351 243 M HN 0.330 nan 8.290 nan 0.000 0.404 244 A N -0.428 122.391 122.820 -0.001 0.000 2.019 244 A HA -0.152 4.167 4.320 -0.001 0.000 0.219 244 A C 2.053 179.639 177.584 0.004 0.000 1.164 244 A CA 1.565 53.604 52.037 0.002 0.000 0.644 244 A CB -0.562 18.438 19.000 0.000 0.000 0.805 244 A HN 0.622 nan 8.150 nan 0.000 0.449 245 E N -1.411 118.789 120.200 -0.000 0.000 2.340 245 E HA 0.050 4.400 4.350 -0.001 0.000 0.194 245 E C 1.631 178.232 176.600 0.001 0.000 0.996 245 E CA 0.162 56.562 56.400 0.000 0.000 0.869 245 E CB 0.057 29.753 29.700 -0.006 0.000 0.835 245 E HN 0.465 nan 8.360 nan 0.000 0.493 246 L N 0.273 121.496 121.223 -0.000 0.000 2.127 246 L HA -0.012 4.328 4.340 -0.001 0.000 0.203 246 L C 2.012 178.890 176.870 0.013 0.000 1.080 246 L CA 1.297 56.137 54.840 0.000 0.000 0.768 246 L CB -0.301 41.756 42.059 -0.003 0.000 0.924 246 L HN 0.135 nan 8.230 nan 0.000 0.444 247 C N 0.312 119.623 119.300 0.018 0.000 2.422 247 C HA -0.076 4.384 4.460 -0.001 0.000 0.279 247 C C 0.019 175.037 174.990 0.046 0.000 1.305 247 C CA 0.703 59.738 59.018 0.029 0.000 1.757 247 C CB -1.527 26.227 27.740 0.023 0.000 1.962 247 C HN 0.411 nan 8.230 nan 0.000 0.499 248 P HA -0.086 nan 4.420 nan 0.000 0.216 248 P C 1.618 179.015 177.300 0.162 0.000 1.153 248 P CA 2.281 65.434 63.100 0.089 0.000 0.858 248 P CB -0.310 31.436 31.700 0.077 0.000 0.789 249 G N -0.545 108.305 108.800 0.083 0.000 2.408 249 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.217 249 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.217 249 G C 1.447 176.380 174.900 0.055 0.000 1.150 249 G CA 0.383 45.487 45.100 0.006 0.000 0.776 249 G HN 0.219 nan 8.290 nan 0.000 0.542 250 L N -0.045 121.211 121.223 0.055 0.000 2.131 250 L HA 0.022 4.362 4.340 -0.001 0.000 0.210 250 L C 2.584 179.501 176.870 0.078 0.000 1.092 250 L CA 0.504 55.377 54.840 0.056 0.000 0.759 250 L CB -0.252 41.833 42.059 0.043 0.000 0.903 250 L HN 0.173 nan 8.230 nan 0.000 0.435 251 L N -1.710 119.572 121.223 0.098 0.000 2.554 251 L HA -0.024 4.316 4.340 -0.001 0.000 0.226 251 L C 0.485 177.410 176.870 0.092 0.000 1.137 251 L CA -0.260 54.627 54.840 0.077 0.000 0.863 251 L CB -0.528 41.560 42.059 0.048 0.000 0.985 251 L HN 0.180 nan 8.230 nan 0.000 0.451 252 H N 0.402 119.475 119.070 0.004 0.000 2.964 252 H HA 0.004 4.560 4.556 -0.001 0.000 0.328 252 H C -1.393 173.937 175.328 0.005 0.000 1.030 252 H CA -1.139 54.912 56.048 0.004 0.000 1.445 252 H CB 0.450 30.215 29.762 0.005 0.000 1.449 252 H HN -0.150 nan 8.280 nan 0.000 0.581 253 P HA -0.205 nan 4.420 nan 0.000 0.216 253 P C 1.353 178.688 177.300 0.059 0.000 1.150 253 P CA 1.962 65.085 63.100 0.039 0.000 0.843 253 P CB 0.237 31.941 31.700 0.006 0.000 0.787 254 S N -1.962 113.791 115.700 0.089 0.000 2.453 254 S HA -0.024 4.446 4.470 -0.001 0.000 0.231 254 S C 1.245 175.880 174.600 0.058 0.000 1.005 254 S CA 0.166 58.408 58.200 0.070 0.000 0.949 254 S CB -1.091 62.155 63.200 0.076 0.000 0.774 254 S HN 0.065 nan 8.310 nan 0.000 0.510 255 S N 1.493 117.236 115.700 0.072 0.000 2.533 255 S HA 0.283 4.752 4.470 -0.001 0.000 0.282 255 S C 0.453 175.077 174.600 0.039 0.000 1.304 255 S CA -0.585 57.644 58.200 0.047 0.000 1.063 255 S CB 0.131 63.361 63.200 0.051 0.000 0.881 255 S HN 0.515 nan 8.310 nan 0.000 0.493 256 R N 3.321 123.840 120.500 0.031 0.000 2.690 256 R HA 0.188 4.528 4.340 -0.001 0.000 0.419 256 R C -0.620 175.698 176.300 0.030 0.000 1.090 256 R CA -0.582 55.535 56.100 0.029 0.000 1.064 256 R CB 0.208 30.523 30.300 0.025 0.000 1.391 256 R HN 0.564 nan 8.270 nan 0.000 0.586 257 L N 1.711 122.954 121.223 0.033 0.000 2.601 257 L HA -0.066 4.274 4.340 -0.001 0.000 0.277 257 L C 1.494 178.393 176.870 0.048 0.000 1.219 257 L CA 0.891 55.754 54.840 0.038 0.000 0.915 257 L CB 0.402 42.486 42.059 0.042 0.000 1.160 257 L HN 0.142 nan 8.230 nan 0.000 0.494 258 R N 1.895 122.425 120.500 0.049 0.000 2.128 258 R HA 0.161 4.501 4.340 -0.001 0.000 0.211 258 R C -0.252 176.104 176.300 0.094 0.000 1.067 258 R CA 0.799 56.936 56.100 0.063 0.000 1.010 258 R CB 0.405 30.733 30.300 0.048 0.000 0.922 258 R HN 0.754 nan 8.270 nan 0.000 0.457 259 T N 1.014 115.620 114.554 0.087 0.000 2.879 259 T HA 0.406 4.756 4.350 -0.001 0.000 0.290 259 T C -1.772 173.031 174.700 0.171 0.000 0.993 259 T CA -0.537 61.641 62.100 0.131 0.000 0.975 259 T CB 1.933 70.806 68.868 0.008 0.000 0.981 259 T HN -0.008 nan 8.240 nan 0.000 0.439 260 L N 3.416 124.809 121.223 0.283 0.000 2.372 260 L HA 0.544 4.884 4.340 -0.001 0.000 0.273 260 L C -1.571 175.543 176.870 0.406 0.000 0.989 260 L CA -0.562 54.432 54.840 0.258 0.000 0.841 260 L CB 1.009 43.166 42.059 0.164 0.000 1.225 260 L HN 0.779 nan 8.230 nan 0.000 0.414 261 W N 8.368 129.691 121.300 0.037 0.000 2.298 261 W HA 0.434 5.094 4.660 -0.001 0.000 0.327 261 W C -0.123 176.419 176.519 0.038 0.000 0.988 261 W CA -0.665 56.737 57.345 0.094 0.000 1.448 261 W CB 1.394 30.924 29.460 0.116 0.000 1.243 261 W HN 0.589 nan 8.180 nan 0.000 0.388 262 I N 3.335 123.905 120.570 0.001 0.000 2.979 262 I HA 0.228 4.398 4.170 -0.001 0.000 0.337 262 I C 0.197 176.214 176.117 -0.167 0.000 1.453 262 I CA -0.623 60.599 61.300 -0.130 0.000 0.891 262 I CB -0.426 37.539 38.000 -0.060 0.000 1.887 262 I HN 0.086 nan 8.210 nan 0.000 0.546 263 W N 1.622 122.781 121.300 -0.234 0.000 2.170 263 W HA 0.378 5.038 4.660 -0.001 0.000 0.336 263 W C 0.109 176.547 176.519 -0.134 0.000 1.283 263 W CA -0.421 56.784 57.345 -0.233 0.000 1.224 263 W CB -0.074 29.184 29.460 -0.337 0.000 1.132 263 W HN 0.472 nan 8.180 nan 0.000 0.571 264 E N 0.721 120.944 120.200 0.039 0.000 2.228 264 E HA -0.222 4.127 4.350 -0.001 0.000 0.213 264 E C 0.180 176.662 176.600 -0.198 0.000 1.282 264 E CA 0.362 56.729 56.400 -0.054 0.000 0.707 264 E CB -1.541 28.188 29.700 0.048 0.000 1.150 264 E HN 0.506 nan 8.360 nan 0.000 0.362 265 C N 0.233 119.436 119.300 -0.162 0.000 2.778 265 C HA 0.317 4.776 4.460 -0.001 0.000 0.294 265 C C 1.727 176.660 174.990 -0.095 0.000 1.331 265 C CA 0.253 59.175 59.018 -0.159 0.000 1.741 265 C CB -0.550 27.092 27.740 -0.163 0.000 2.106 265 C HN 0.887 nan 8.230 nan 0.000 0.603 266 G N 1.805 110.563 108.800 -0.070 0.000 2.179 266 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.257 266 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.257 266 G C -0.040 174.841 174.900 -0.032 0.000 1.010 266 G CA 0.014 45.087 45.100 -0.045 0.000 0.736 266 G HN 0.611 nan 8.290 nan 0.000 0.513 267 I N 1.478 122.029 120.570 -0.031 0.000 2.474 267 I HA 0.478 4.647 4.170 -0.001 0.000 0.287 267 I C 1.250 177.367 176.117 0.001 0.000 1.048 267 I CA 0.236 61.528 61.300 -0.015 0.000 1.383 267 I CB 1.239 39.231 38.000 -0.013 0.000 1.412 267 I HN 0.339 nan 8.210 nan 0.000 0.531 268 T N 1.677 116.236 114.554 0.010 0.000 2.804 268 T HA 0.543 4.892 4.350 -0.001 0.000 0.272 268 T C 1.114 175.835 174.700 0.034 0.000 0.986 268 T CA -0.138 61.976 62.100 0.023 0.000 0.999 268 T CB 1.344 70.223 68.868 0.018 0.000 1.307 268 T HN 0.534 nan 8.240 nan 0.000 0.586 269 A N 0.309 123.154 122.820 0.042 0.000 1.986 269 A HA -0.118 4.202 4.320 -0.001 0.000 0.220 269 A C 2.299 179.897 177.584 0.022 0.000 1.171 269 A CA 2.250 54.311 52.037 0.040 0.000 0.640 269 A CB -1.097 17.925 19.000 0.036 0.000 0.811 269 A HN 0.892 nan 8.150 nan 0.000 0.451 270 K N -0.761 119.649 120.400 0.016 0.000 2.057 270 K HA -0.090 4.229 4.320 -0.001 0.000 0.206 270 K C 2.059 178.664 176.600 0.008 0.000 1.050 270 K CA 1.374 57.666 56.287 0.008 0.000 0.935 270 K CB -0.509 31.994 32.500 0.005 0.000 0.715 270 K HN 0.389 nan 8.250 nan 0.000 0.439 271 G N 0.805 109.611 108.800 0.010 0.000 2.422 271 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 271 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 271 G C 1.704 176.613 174.900 0.015 0.000 1.140 271 G CA 0.727 45.832 45.100 0.009 0.000 0.775 271 G HN 0.459 nan 8.290 nan 0.000 0.545 272 C N 0.969 120.283 119.300 0.023 0.000 2.398 272 C HA -0.009 4.450 4.460 -0.001 0.000 0.276 272 C C 3.254 178.254 174.990 0.018 0.000 1.222 272 C CA 1.548 60.585 59.018 0.032 0.000 1.746 272 C CB -1.147 26.623 27.740 0.050 0.000 2.039 272 C HN 0.468 nan 8.230 nan 0.000 0.470 273 G N 0.146 108.951 108.800 0.008 0.000 2.529 273 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.219 273 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.219 273 G C 1.289 176.190 174.900 0.003 0.000 1.177 273 G CA 1.489 46.589 45.100 -0.001 0.000 0.773 273 G HN 0.597 nan 8.290 nan 0.000 0.573 274 D N 0.139 120.542 120.400 0.006 0.000 2.104 274 D HA -0.099 4.541 4.640 -0.001 0.000 0.194 274 D C 2.473 178.781 176.300 0.013 0.000 0.994 274 D CA 0.766 54.772 54.000 0.009 0.000 0.830 274 D CB -0.339 40.466 40.800 0.009 0.000 0.959 274 D HN 0.218 nan 8.370 nan 0.000 0.452 275 L N 0.652 121.886 121.223 0.018 0.000 2.083 275 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 275 L C 2.457 179.341 176.870 0.024 0.000 1.083 275 L CA 1.161 56.017 54.840 0.026 0.000 0.752 275 L CB -0.238 41.842 42.059 0.034 0.000 0.899 275 L HN 0.082 nan 8.230 nan 0.000 0.433 276 C N -0.965 118.345 119.300 0.016 0.000 2.425 276 C HA -0.147 4.312 4.460 -0.001 0.000 0.277 276 C C 2.784 177.775 174.990 0.003 0.000 1.280 276 C CA 0.629 59.651 59.018 0.007 0.000 1.744 276 C CB -1.061 26.674 27.740 -0.007 0.000 1.989 276 C HN 0.473 nan 8.230 nan 0.000 0.491 277 R N 0.171 120.673 120.500 0.003 0.000 2.096 277 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 277 R C 2.077 178.381 176.300 0.007 0.000 1.127 277 R CA 1.257 57.358 56.100 0.002 0.000 0.968 277 R CB -0.403 29.898 30.300 0.002 0.000 0.861 277 R HN 0.421 nan 8.270 nan 0.000 0.440 278 V N 1.470 121.393 119.914 0.014 0.000 2.307 278 V HA -0.234 3.886 4.120 -0.001 0.000 0.245 278 V C 2.311 178.414 176.094 0.015 0.000 1.045 278 V CA 1.654 63.966 62.300 0.020 0.000 1.024 278 V CB -0.422 31.419 31.823 0.030 0.000 0.651 278 V HN 0.273 nan 8.190 nan 0.000 0.449 279 L N -0.383 120.850 121.223 0.017 0.000 2.042 279 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 279 L C 2.728 179.593 176.870 -0.009 0.000 1.076 279 L CA 2.030 56.877 54.840 0.012 0.000 0.749 279 L CB -0.571 41.501 42.059 0.021 0.000 0.893 279 L HN 0.246 nan 8.230 nan 0.000 0.432 280 R N -0.087 120.408 120.500 -0.008 0.000 2.115 280 R HA -0.123 4.216 4.340 -0.001 0.000 0.230 280 R C 2.129 178.418 176.300 -0.019 0.000 1.111 280 R CA 1.276 57.366 56.100 -0.016 0.000 0.976 280 R CB -0.102 30.191 30.300 -0.011 0.000 0.870 280 R HN 0.360 nan 8.270 nan 0.000 0.445 281 A N -0.234 122.580 122.820 -0.011 0.000 2.081 281 A HA 0.107 4.427 4.320 -0.001 0.000 0.214 281 A C 0.142 177.719 177.584 -0.012 0.000 1.158 281 A CA 0.508 52.539 52.037 -0.010 0.000 0.724 281 A CB 0.406 19.404 19.000 -0.003 0.000 0.826 281 A HN -0.026 nan 8.150 nan 0.000 0.463 282 K N 1.345 121.738 120.400 -0.011 0.000 2.527 282 K HA 0.161 4.481 4.320 -0.001 0.000 0.240 282 K C 0.101 176.684 176.600 -0.028 0.000 0.989 282 K CA -0.182 56.100 56.287 -0.008 0.000 0.985 282 K CB 1.197 33.704 32.500 0.012 0.000 1.221 282 K HN 0.604 nan 8.250 nan 0.000 0.458 283 E N 0.873 121.043 120.200 -0.050 0.000 2.418 283 E HA -0.111 4.238 4.350 -0.001 0.000 0.197 283 E C 0.670 177.236 176.600 -0.056 0.000 1.026 283 E CA 0.725 57.069 56.400 -0.094 0.000 0.862 283 E CB 0.100 29.720 29.700 -0.134 0.000 0.799 283 E HN 0.322 nan 8.360 nan 0.000 0.518 284 S N 1.073 116.763 115.700 -0.018 0.000 2.419 284 S HA -0.148 4.321 4.470 -0.001 0.000 0.235 284 S C 1.152 175.767 174.600 0.026 0.000 1.019 284 S CA 0.322 58.527 58.200 0.008 0.000 0.982 284 S CB -0.508 62.703 63.200 0.018 0.000 0.789 284 S HN 0.271 nan 8.310 nan 0.000 0.490 285 L N 2.339 123.578 121.223 0.027 0.000 2.385 285 L HA 0.343 4.683 4.340 -0.001 0.000 0.281 285 L C 0.782 177.695 176.870 0.072 0.000 1.106 285 L CA 0.108 54.984 54.840 0.059 0.000 0.856 285 L CB 0.420 42.515 42.059 0.061 0.000 1.186 285 L HN -0.082 nan 8.230 nan 0.000 0.453 286 K N 3.364 123.829 120.400 0.107 0.000 2.365 286 K HA 0.280 4.599 4.320 -0.001 0.000 0.195 286 K C -0.323 176.408 176.600 0.219 0.000 1.079 286 K CA 0.444 56.811 56.287 0.134 0.000 0.979 286 K CB 0.680 33.256 32.500 0.125 0.000 0.929 286 K HN 0.614 nan 8.250 nan 0.000 0.523 287 E N 1.030 121.394 120.200 0.273 0.000 2.246 287 E HA 0.360 4.710 4.350 -0.001 0.000 0.266 287 E C -1.492 175.392 176.600 0.472 0.000 0.880 287 E CA -0.715 55.964 56.400 0.465 0.000 0.762 287 E CB 2.105 32.098 29.700 0.489 0.000 1.180 287 E HN -0.166 nan 8.360 nan 0.000 0.416 288 L N 1.912 123.441 121.223 0.510 0.000 2.439 288 L HA 0.446 4.786 4.340 -0.001 0.000 0.270 288 L C -1.266 175.741 176.870 0.228 0.000 0.972 288 L CA -0.281 54.755 54.840 0.327 0.000 0.836 288 L CB 2.120 44.310 42.059 0.218 0.000 1.255 288 L HN 0.423 nan 8.230 nan 0.000 0.404 289 S N 5.141 120.775 115.700 -0.111 0.000 2.438 289 S HA 0.591 5.060 4.470 -0.001 0.000 0.316 289 S C 0.106 174.593 174.600 -0.190 0.000 1.084 289 S CA -0.484 57.451 58.200 -0.441 0.000 1.107 289 S CB 0.491 62.709 63.200 -1.635 0.000 0.981 289 S HN 0.717 nan 8.310 nan 0.000 0.466 290 L N 4.098 125.281 121.223 -0.065 0.000 2.965 290 L HA 0.448 4.787 4.340 -0.001 0.000 0.254 290 L C 0.987 177.836 176.870 -0.036 0.000 1.220 290 L CA -0.422 54.403 54.840 -0.026 0.000 1.023 290 L CB -0.020 42.058 42.059 0.030 0.000 1.355 290 L HN 0.719 nan 8.230 nan 0.000 0.545 291 A N -0.013 122.769 122.820 -0.064 0.000 2.531 291 A HA 0.400 4.720 4.320 -0.001 0.000 0.236 291 A C 1.535 179.119 177.584 0.001 0.000 1.062 291 A CA 0.808 52.801 52.037 -0.073 0.000 0.760 291 A CB -0.134 18.776 19.000 -0.150 0.000 0.995 291 A HN 0.676 nan 8.150 nan 0.000 0.501 292 G N 1.843 110.613 108.800 -0.049 0.000 2.189 292 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.267 292 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.267 292 G C 0.183 175.072 174.900 -0.018 0.000 0.975 292 G CA 0.354 45.447 45.100 -0.012 0.000 0.644 292 G HN 0.866 nan 8.290 nan 0.000 0.537 293 N N 0.723 119.399 118.700 -0.039 0.000 2.514 293 N HA 0.262 5.002 4.740 -0.001 0.000 0.277 293 N C 0.178 175.657 175.510 -0.051 0.000 1.126 293 N CA -0.190 52.838 53.050 -0.037 0.000 0.978 293 N CB 1.055 39.528 38.487 -0.024 0.000 1.106 293 N HN 0.502 nan 8.380 nan 0.000 0.461 294 E N 3.335 123.519 120.200 -0.026 0.000 1.999 294 E HA 0.034 4.384 4.350 -0.001 0.000 0.296 294 E C 0.643 177.258 176.600 0.025 0.000 1.187 294 E CA -0.132 56.261 56.400 -0.013 0.000 1.229 294 E CB -0.352 29.348 29.700 -0.001 0.000 1.131 294 E HN 0.522 nan 8.360 nan 0.000 0.478 295 L N 2.360 123.607 121.223 0.041 0.000 2.209 295 L HA 0.181 4.520 4.340 -0.001 0.000 0.207 295 L C 1.411 178.408 176.870 0.212 0.000 1.094 295 L CA 0.482 55.407 54.840 0.141 0.000 0.790 295 L CB -0.771 41.432 42.059 0.241 0.000 0.932 295 L HN 0.669 nan 8.230 nan 0.000 0.447 296 G N 0.644 109.597 108.800 0.255 0.000 2.806 296 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.236 296 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.236 296 G C 0.033 175.144 174.900 0.352 0.000 1.387 296 G CA 0.067 45.339 45.100 0.286 0.000 0.884 296 G HN 0.202 nan 8.290 nan 0.000 0.560 297 D N -0.157 120.369 120.400 0.209 0.000 2.219 297 D HA -0.005 4.634 4.640 -0.001 0.000 0.205 297 D C 2.174 178.481 176.300 0.012 0.000 0.970 297 D CA 1.508 55.563 54.000 0.091 0.000 0.851 297 D CB 0.005 40.858 40.800 0.088 0.000 0.943 297 D HN 0.547 nan 8.370 nan 0.000 0.488 298 E N 0.684 120.907 120.200 0.038 0.000 2.072 298 E HA -0.065 4.284 4.350 -0.001 0.000 0.190 298 E C 2.138 178.728 176.600 -0.018 0.000 0.982 298 E CA 1.462 57.858 56.400 -0.007 0.000 0.803 298 E CB -0.681 29.026 29.700 0.012 0.000 0.755 298 E HN 0.182 nan 8.360 nan 0.000 0.453 299 G N 0.465 109.302 108.800 0.062 0.000 2.440 299 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.218 299 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.218 299 G C 1.721 176.636 174.900 0.024 0.000 1.154 299 G CA 1.296 46.452 45.100 0.093 0.000 0.767 299 G HN 0.457 nan 8.290 nan 0.000 0.552 300 A N 0.559 123.330 122.820 -0.083 0.000 1.902 300 A HA -0.011 4.308 4.320 -0.001 0.000 0.217 300 A C 2.322 179.611 177.584 -0.492 0.000 1.181 300 A CA 1.867 53.637 52.037 -0.444 0.000 0.623 300 A CB -0.473 17.978 19.000 -0.914 0.000 0.818 300 A HN 0.382 nan 8.150 nan 0.000 0.443 301 R N -0.329 119.930 120.500 -0.403 0.000 2.073 301 R HA -0.091 4.248 4.340 -0.001 0.000 0.234 301 R C 1.993 178.050 176.300 -0.407 0.000 1.134 301 R CA 1.663 57.413 56.100 -0.583 0.000 0.952 301 R CB -0.425 29.572 30.300 -0.505 0.000 0.850 301 R HN 0.514 nan 8.270 nan 0.000 0.433 302 L N 0.643 121.723 121.223 -0.238 0.000 2.017 302 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 302 L C 2.513 179.299 176.870 -0.140 0.000 1.073 302 L CA 1.199 55.947 54.840 -0.153 0.000 0.745 302 L CB -0.408 41.604 42.059 -0.079 0.000 0.894 302 L HN 0.268 nan 8.230 nan 0.000 0.432 303 L N -1.129 120.013 121.223 -0.135 0.000 1.989 303 L HA -0.293 4.046 4.340 -0.001 0.000 0.211 303 L C 2.725 179.496 176.870 -0.166 0.000 1.071 303 L CA 1.442 56.222 54.840 -0.099 0.000 0.749 303 L CB -0.637 41.410 42.059 -0.021 0.000 0.890 303 L HN 0.395 nan 8.230 nan 0.000 0.431 304 C N -0.400 118.701 119.300 -0.332 0.000 2.425 304 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 304 C C 2.616 177.491 174.990 -0.192 0.000 1.280 304 C CA 0.468 59.288 59.018 -0.330 0.000 1.744 304 C CB -0.810 26.627 27.740 -0.506 0.000 1.989 304 C HN 0.514 nan 8.230 nan 0.000 0.491 305 E N 0.385 120.462 120.200 -0.206 0.000 2.049 305 E HA -0.218 4.132 4.350 -0.001 0.000 0.198 305 E C 2.120 178.675 176.600 -0.075 0.000 1.007 305 E CA 1.941 58.263 56.400 -0.130 0.000 0.809 305 E CB -0.339 29.278 29.700 -0.138 0.000 0.749 305 E HN 0.597 nan 8.360 nan 0.000 0.450 306 T N 1.309 115.822 114.554 -0.068 0.000 2.788 306 T HA -0.091 4.258 4.350 -0.001 0.000 0.268 306 T C 1.810 176.502 174.700 -0.013 0.000 1.044 306 T CA 0.731 62.811 62.100 -0.034 0.000 1.139 306 T CB -0.098 68.754 68.868 -0.026 0.000 0.867 306 T HN 0.077 nan 8.240 nan 0.000 0.454 307 L N 0.322 121.536 121.223 -0.016 0.000 2.551 307 L HA 0.147 4.487 4.340 -0.001 0.000 0.228 307 L C 1.652 178.543 176.870 0.035 0.000 1.153 307 L CA 0.625 55.478 54.840 0.022 0.000 0.851 307 L CB -0.219 41.859 42.059 0.031 0.000 0.959 307 L HN 0.256 nan 8.230 nan 0.000 0.451 308 L N -1.226 120.002 121.223 0.008 0.000 2.640 308 L HA 0.179 4.519 4.340 -0.001 0.000 0.230 308 L C 0.307 177.193 176.870 0.026 0.000 1.123 308 L CA -0.008 54.843 54.840 0.019 0.000 0.900 308 L CB 0.248 42.307 42.059 -0.000 0.000 1.146 308 L HN 0.177 nan 8.230 nan 0.000 0.484 309 E N 0.070 120.285 120.200 0.024 0.000 2.221 309 E HA 0.388 4.738 4.350 -0.001 0.000 0.268 309 E C -2.350 174.275 176.600 0.042 0.000 0.933 309 E CA -2.165 54.251 56.400 0.025 0.000 0.809 309 E CB 1.026 30.730 29.700 0.007 0.000 1.190 309 E HN -0.149 nan 8.360 nan 0.000 0.406 310 P HA 0.135 nan 4.420 nan 0.000 0.269 310 P C 0.351 177.662 177.300 0.018 0.000 1.209 310 P CA 0.367 63.502 63.100 0.058 0.000 0.776 310 P CB 0.818 32.551 31.700 0.055 0.000 0.876 311 G N 0.699 109.491 108.800 -0.012 0.000 3.246 311 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.196 311 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.196 311 G C 0.021 174.849 174.900 -0.119 0.000 2.019 311 G CA -0.161 44.908 45.100 -0.052 0.000 1.385 311 G HN 0.773 nan 8.290 nan 0.000 0.484 312 C N 2.858 122.102 119.300 -0.094 0.000 2.592 312 C HA 0.538 4.998 4.460 -0.001 0.000 0.408 312 C C 1.397 176.211 174.990 -0.292 0.000 1.436 312 C CA 1.026 59.972 59.018 -0.120 0.000 1.595 312 C CB -0.354 27.363 27.740 -0.037 0.000 2.487 312 C HN 0.561 nan 8.230 nan 0.000 0.610 313 Q N 3.779 123.352 119.800 -0.378 0.000 2.165 313 Q HA 0.181 4.521 4.340 -0.001 0.000 0.245 313 Q C -0.195 175.688 176.000 -0.195 0.000 0.841 313 Q CA -0.598 54.794 55.803 -0.685 0.000 1.078 313 Q CB 0.440 28.673 28.738 -0.842 0.000 1.169 313 Q HN 0.738 nan 8.270 nan 0.000 0.475 314 L N 1.684 122.880 121.223 -0.045 0.000 2.615 314 L HA -0.139 4.201 4.340 -0.001 0.000 0.284 314 L C 1.244 178.196 176.870 0.136 0.000 1.237 314 L CA 1.309 56.192 54.840 0.071 0.000 0.905 314 L CB 0.573 42.689 42.059 0.094 0.000 1.149 314 L HN 0.251 nan 8.230 nan 0.000 0.499 315 E N 1.018 121.311 120.200 0.156 0.000 2.290 315 E HA 0.138 4.488 4.350 -0.001 0.000 0.197 315 E C -0.361 176.317 176.600 0.131 0.000 0.948 315 E CA 0.226 56.727 56.400 0.169 0.000 0.895 315 E CB 0.496 30.301 29.700 0.176 0.000 0.865 315 E HN 0.703 nan 8.360 nan 0.000 0.486 316 S N 0.516 116.306 115.700 0.151 0.000 2.571 316 S HA 0.463 4.932 4.470 -0.001 0.000 0.284 316 S C -1.528 173.087 174.600 0.025 0.000 1.128 316 S CA -0.733 57.453 58.200 -0.023 0.000 0.970 316 S CB 2.004 65.221 63.200 0.028 0.000 1.039 316 S HN 0.207 nan 8.310 nan 0.000 0.485 317 L N 3.272 124.387 121.223 -0.180 0.000 2.349 317 L HA 0.597 4.937 4.340 -0.001 0.000 0.278 317 L C -1.665 175.095 176.870 -0.183 0.000 0.996 317 L CA -0.328 54.515 54.840 0.005 0.000 0.825 317 L CB 0.646 42.758 42.059 0.088 0.000 1.243 317 L HN 0.744 nan 8.230 nan 0.000 0.412 318 W N 6.863 128.129 121.300 -0.056 0.000 2.278 318 W HA 0.490 5.150 4.660 -0.000 0.000 0.317 318 W C -0.017 176.402 176.519 -0.166 0.000 1.030 318 W CA -0.613 56.621 57.345 -0.184 0.000 1.334 318 W CB 1.856 31.092 29.460 -0.373 0.000 1.215 318 W HN 0.500 nan 8.180 nan 0.000 0.405 319 V N 1.415 121.331 119.914 0.003 0.000 2.771 319 V HA 0.200 4.320 4.120 -0.001 0.000 0.355 319 V C 0.213 176.205 176.094 -0.169 0.000 1.289 319 V CA -0.803 61.477 62.300 -0.033 0.000 1.231 319 V CB 0.188 32.114 31.823 0.172 0.000 1.396 319 V HN 0.412 nan 8.190 nan 0.000 0.628 320 K N 1.169 121.488 120.400 -0.135 0.000 2.382 320 K HA 0.243 4.562 4.320 -0.001 0.000 0.275 320 K C 0.707 177.198 176.600 -0.181 0.000 1.009 320 K CA 0.972 57.172 56.287 -0.146 0.000 0.970 320 K CB 0.413 32.840 32.500 -0.122 0.000 0.934 320 K HN 0.659 nan 8.250 nan 0.000 0.479 321 S N 1.976 117.570 115.700 -0.177 0.000 3.628 321 S HA -0.160 4.309 4.470 -0.001 0.000 0.373 321 S C 0.270 174.729 174.600 -0.235 0.000 0.968 321 S CA 0.529 58.631 58.200 -0.163 0.000 1.215 321 S CB -2.023 61.120 63.200 -0.095 0.000 0.912 321 S HN 0.695 nan 8.310 nan 0.000 0.495 322 C N 1.064 120.095 119.300 -0.448 0.000 2.884 322 C HA 0.393 4.853 4.460 -0.001 0.000 0.287 322 C C 1.412 176.131 174.990 -0.451 0.000 1.310 322 C CA 0.155 58.819 59.018 -0.591 0.000 1.725 322 C CB -1.248 25.803 27.740 -1.148 0.000 2.060 322 C HN 0.941 nan 8.230 nan 0.000 0.618 323 S N 0.690 116.245 115.700 -0.242 0.000 3.698 323 S HA -0.159 4.311 4.470 -0.001 0.000 0.338 323 S C -0.246 174.448 174.600 0.156 0.000 1.089 323 S CA 0.389 58.570 58.200 -0.032 0.000 0.991 323 S CB -1.490 61.716 63.200 0.010 0.000 0.909 323 S HN 0.554 nan 8.310 nan 0.000 0.485 324 F N 2.018 122.004 119.950 0.060 0.000 2.375 324 F HA 0.622 5.149 4.527 -0.000 0.000 0.333 324 F C 1.400 177.242 175.800 0.069 0.000 1.104 324 F CA -0.836 57.216 58.000 0.087 0.000 1.149 324 F CB 0.789 39.856 39.000 0.111 0.000 1.190 324 F HN 0.273 nan 8.300 nan 0.000 0.533 325 T N -1.714 113.002 114.554 0.271 0.000 2.883 325 T HA 0.664 5.014 4.350 -0.001 0.000 0.284 325 T C 0.972 175.749 174.700 0.129 0.000 1.041 325 T CA -0.226 61.969 62.100 0.160 0.000 1.007 325 T CB 1.363 70.299 68.868 0.113 0.000 1.220 325 T HN 0.545 nan 8.240 nan 0.000 0.552 326 A N 0.305 123.177 122.820 0.087 0.000 2.032 326 A HA 0.131 4.451 4.320 -0.001 0.000 0.221 326 A C 2.491 180.103 177.584 0.048 0.000 1.165 326 A CA 2.176 54.250 52.037 0.063 0.000 0.645 326 A CB -1.580 17.445 19.000 0.042 0.000 0.807 326 A HN 1.359 nan 8.150 nan 0.000 0.453 327 A N -0.665 122.184 122.820 0.049 0.000 2.121 327 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 327 A C 2.188 179.783 177.584 0.018 0.000 1.154 327 A CA 1.509 53.560 52.037 0.023 0.000 0.679 327 A CB -1.295 17.726 19.000 0.034 0.000 0.795 327 A HN 1.272 nan 8.150 nan 0.000 0.458 328 C N -3.243 116.092 119.300 0.058 0.000 2.618 328 C HA 0.159 4.618 4.460 -0.001 0.000 0.264 328 C C 2.253 177.308 174.990 0.108 0.000 1.334 328 C CA 0.201 59.267 59.018 0.080 0.000 1.731 328 C CB -2.022 25.704 27.740 -0.024 0.000 1.852 328 C HN 0.583 nan 8.230 nan 0.000 0.566 329 C N 2.260 121.614 119.300 0.089 0.000 2.468 329 C HA 0.000 4.460 4.460 -0.001 0.000 0.277 329 C C 3.191 178.209 174.990 0.046 0.000 1.400 329 C CA 1.525 60.621 59.018 0.131 0.000 1.770 329 C CB -1.265 26.527 27.740 0.087 0.000 1.905 329 C HN 0.867 nan 8.230 nan 0.000 0.519 330 S N 0.422 116.067 115.700 -0.091 0.000 2.402 330 S HA -0.188 4.282 4.470 -0.001 0.000 0.229 330 S C 1.560 176.056 174.600 -0.173 0.000 1.021 330 S CA 1.283 59.388 58.200 -0.157 0.000 0.974 330 S CB -0.668 62.386 63.200 -0.244 0.000 0.800 330 S HN 0.714 nan 8.310 nan 0.000 0.484 331 H N 0.502 119.526 119.070 -0.077 0.000 2.333 331 H HA 0.113 4.669 4.556 -0.000 0.000 0.302 331 H C 1.809 177.025 175.328 -0.187 0.000 1.075 331 H CA 1.322 57.265 56.048 -0.175 0.000 1.348 331 H CB -0.714 28.858 29.762 -0.316 0.000 1.393 331 H HN 0.482 nan 8.280 nan 0.000 0.509 332 F N 1.001 120.980 119.950 0.047 0.000 2.216 332 F HA -0.189 4.338 4.527 -0.001 0.000 0.300 332 F C 2.942 178.747 175.800 0.007 0.000 1.085 332 F CA 1.175 59.181 58.000 0.010 0.000 1.326 332 F CB -0.472 38.520 39.000 -0.013 0.000 1.027 332 F HN 0.071 nan 8.300 nan 0.000 0.497 333 S N -0.485 115.311 115.700 0.160 0.000 2.359 333 S HA -0.207 4.263 4.470 -0.001 0.000 0.224 333 S C 2.356 176.988 174.600 0.054 0.000 1.035 333 S CA 1.942 60.190 58.200 0.080 0.000 1.018 333 S CB -0.490 62.730 63.200 0.034 0.000 0.876 333 S HN 0.344 nan 8.310 nan 0.000 0.448 334 S N 0.715 116.438 115.700 0.037 0.000 2.368 334 S HA -0.060 4.410 4.470 -0.001 0.000 0.225 334 S C 1.923 176.546 174.600 0.038 0.000 1.030 334 S CA 1.279 59.495 58.200 0.027 0.000 0.999 334 S CB -0.614 62.598 63.200 0.020 0.000 0.844 334 S HN 0.419 nan 8.310 nan 0.000 0.459 335 V N 2.505 122.449 119.914 0.050 0.000 2.252 335 V HA -0.202 3.918 4.120 -0.001 0.000 0.249 335 V C 2.206 178.347 176.094 0.078 0.000 1.056 335 V CA 1.700 64.040 62.300 0.067 0.000 1.022 335 V CB -0.784 31.094 31.823 0.091 0.000 0.641 335 V HN 0.448 nan 8.190 nan 0.000 0.445 336 L N -0.144 121.132 121.223 0.089 0.000 2.141 336 L HA -0.114 4.225 4.340 -0.001 0.000 0.209 336 L C 2.633 179.524 176.870 0.035 0.000 1.094 336 L CA 1.397 56.275 54.840 0.065 0.000 0.763 336 L CB -0.771 41.325 42.059 0.062 0.000 0.908 336 L HN 0.378 nan 8.230 nan 0.000 0.437 337 A N -0.691 122.147 122.820 0.031 0.000 1.968 337 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 337 A C 2.137 179.728 177.584 0.012 0.000 1.169 337 A CA 1.259 53.305 52.037 0.015 0.000 0.638 337 A CB -0.076 18.931 19.000 0.012 0.000 0.812 337 A HN 0.503 nan 8.150 nan 0.000 0.446 338 Q N -1.528 118.284 119.800 0.020 0.000 2.477 338 Q HA 0.098 4.438 4.340 -0.001 0.000 0.252 338 Q C 0.309 176.321 176.000 0.021 0.000 0.869 338 Q CA -0.348 55.465 55.803 0.017 0.000 0.969 338 Q CB 0.218 28.969 28.738 0.022 0.000 1.144 338 Q HN 0.530 nan 8.270 nan 0.000 0.577 339 N N 1.489 120.215 118.700 0.043 0.000 2.475 339 N HA -0.001 4.738 4.740 -0.001 0.000 0.267 339 N C 0.121 175.644 175.510 0.021 0.000 1.169 339 N CA 0.298 53.392 53.050 0.073 0.000 0.947 339 N CB 0.689 39.245 38.487 0.116 0.000 1.061 339 N HN 0.077 nan 8.380 nan 0.000 0.466 340 R N 3.365 123.822 120.500 -0.073 0.000 2.334 340 R HA 0.110 4.450 4.340 -0.001 0.000 0.216 340 R C 0.427 176.522 176.300 -0.342 0.000 0.905 340 R CA 0.083 56.038 56.100 -0.242 0.000 1.064 340 R CB -0.156 29.924 30.300 -0.367 0.000 1.046 340 R HN 0.546 nan 8.270 nan 0.000 0.508 341 F N -0.171 119.800 119.950 0.036 0.000 2.559 341 F HA 0.165 4.692 4.527 -0.000 0.000 0.286 341 F C 0.947 176.775 175.800 0.047 0.000 1.108 341 F CA -0.474 57.551 58.000 0.042 0.000 1.436 341 F CB -0.007 39.020 39.000 0.045 0.000 1.130 341 F HN -0.140 nan 8.300 nan 0.000 0.584 342 L N 1.570 122.929 121.223 0.226 0.000 2.456 342 L HA 0.115 4.454 4.340 -0.001 0.000 0.277 342 L C 0.366 177.293 176.870 0.095 0.000 1.124 342 L CA 0.517 55.447 54.840 0.150 0.000 0.880 342 L CB 0.130 42.270 42.059 0.135 0.000 1.192 342 L HN 0.178 nan 8.230 nan 0.000 0.463 343 L N 3.375 124.648 121.223 0.084 0.000 2.515 343 L HA 0.328 4.668 4.340 -0.001 0.000 0.223 343 L C 0.397 177.285 176.870 0.030 0.000 1.079 343 L CA 0.049 54.923 54.840 0.056 0.000 0.857 343 L CB 0.193 42.296 42.059 0.073 0.000 1.050 343 L HN 0.660 nan 8.230 nan 0.000 0.476 344 E N 1.071 121.272 120.200 0.001 0.000 2.263 344 E HA 0.416 4.766 4.350 -0.001 0.000 0.268 344 E C -1.654 174.859 176.600 -0.146 0.000 0.884 344 E CA -0.625 55.746 56.400 -0.050 0.000 0.766 344 E CB 2.326 31.991 29.700 -0.058 0.000 1.196 344 E HN -0.082 nan 8.360 nan 0.000 0.416 345 L N 4.245 125.423 121.223 -0.075 0.000 2.372 345 L HA 0.356 4.695 4.340 -0.001 0.000 0.273 345 L C -1.303 175.536 176.870 -0.051 0.000 0.989 345 L CA -0.207 54.566 54.840 -0.113 0.000 0.841 345 L CB 1.642 43.666 42.059 -0.058 0.000 1.225 345 L HN 0.657 nan 8.230 nan 0.000 0.414 346 Q N 5.456 125.084 119.800 -0.286 0.000 2.368 346 Q HA 0.357 4.696 4.340 -0.001 0.000 0.256 346 Q C -0.539 175.365 176.000 -0.160 0.000 0.980 346 Q CA -0.073 55.569 55.803 -0.269 0.000 0.887 346 Q CB 1.104 29.389 28.738 -0.755 0.000 1.221 346 Q HN 0.899 nan 8.270 nan 0.000 0.458 347 I N 2.715 123.247 120.570 -0.064 0.000 3.817 347 I HA 0.173 4.343 4.170 -0.001 0.000 0.325 347 I C -0.510 175.593 176.117 -0.024 0.000 1.550 347 I CA -0.087 61.168 61.300 -0.075 0.000 1.100 347 I CB 0.713 38.614 38.000 -0.165 0.000 1.216 347 I HN 0.460 nan 8.210 nan 0.000 0.481 348 S N 1.046 116.746 115.700 -0.001 0.000 2.569 348 S HA 0.054 4.524 4.470 -0.001 0.000 0.274 348 S C 0.571 175.161 174.600 -0.015 0.000 1.353 348 S CA 0.270 58.486 58.200 0.027 0.000 1.023 348 S CB 0.265 63.501 63.200 0.060 0.000 0.876 348 S HN 0.664 nan 8.310 nan 0.000 0.540 349 N N 0.856 119.559 118.700 0.004 0.000 2.754 349 N HA -0.161 4.579 4.740 -0.001 0.000 0.248 349 N C -1.264 174.228 175.510 -0.030 0.000 1.093 349 N CA 0.591 53.633 53.050 -0.013 0.000 0.699 349 N CB -1.331 37.137 38.487 -0.032 0.000 1.016 349 N HN 0.475 nan 8.380 nan 0.000 0.552 350 N N 0.136 118.834 118.700 -0.002 0.000 2.258 350 N HA 0.258 4.998 4.740 -0.001 0.000 0.299 350 N C -0.303 175.242 175.510 0.058 0.000 1.047 350 N CA -0.671 52.394 53.050 0.024 0.000 0.814 350 N CB 1.209 39.739 38.487 0.070 0.000 1.413 350 N HN 0.121 nan 8.380 nan 0.000 0.478 351 R N 2.013 122.554 120.500 0.067 0.000 4.559 351 R HA 0.139 4.479 4.340 -0.001 0.000 0.177 351 R C 1.234 177.583 176.300 0.082 0.000 1.875 351 R CA 0.092 56.231 56.100 0.066 0.000 1.509 351 R CB -0.466 29.869 30.300 0.059 0.000 1.395 351 R HN 0.455 nan 8.270 nan 0.000 0.830 352 L N 0.247 121.518 121.223 0.080 0.000 2.156 352 L HA -0.055 4.285 4.340 -0.001 0.000 0.208 352 L C 0.316 177.220 176.870 0.056 0.000 1.095 352 L CA 0.429 55.315 54.840 0.078 0.000 0.770 352 L CB -0.406 41.695 42.059 0.070 0.000 0.914 352 L HN 0.398 nan 8.230 nan 0.000 0.439 353 E N -0.239 119.990 120.200 0.047 0.000 9.214 353 E HA -0.217 4.133 4.350 -0.001 0.000 0.465 353 E C 0.203 176.822 176.600 0.031 0.000 1.407 353 E CA 0.849 57.272 56.400 0.038 0.000 2.446 353 E CB -0.701 29.020 29.700 0.035 0.000 1.031 353 E HN 0.130 nan 8.360 nan 0.000 0.329 354 D N 0.048 120.464 120.400 0.026 0.000 2.149 354 D HA -0.117 4.522 4.640 -0.001 0.000 0.198 354 D C 1.697 178.008 176.300 0.017 0.000 0.990 354 D CA 2.066 56.079 54.000 0.020 0.000 0.839 354 D CB -0.221 40.590 40.800 0.017 0.000 0.948 354 D HN 0.503 nan 8.370 nan 0.000 0.460 355 A N 0.977 123.808 122.820 0.018 0.000 1.877 355 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 355 A C 2.421 180.015 177.584 0.017 0.000 1.186 355 A CA 2.234 54.280 52.037 0.015 0.000 0.620 355 A CB -1.122 17.887 19.000 0.014 0.000 0.822 355 A HN 0.312 nan 8.150 nan 0.000 0.443 356 G N -0.732 108.084 108.800 0.027 0.000 2.404 356 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.215 356 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.215 356 G C 1.513 176.431 174.900 0.030 0.000 1.174 356 G CA 1.207 46.328 45.100 0.035 0.000 0.780 356 G HN 0.320 nan 8.290 nan 0.000 0.537 357 V N 0.943 120.872 119.914 0.025 0.000 2.343 357 V HA -0.178 3.941 4.120 -0.001 0.000 0.247 357 V C 2.787 178.887 176.094 0.011 0.000 1.051 357 V CA 2.119 64.430 62.300 0.017 0.000 1.036 357 V CB -0.492 31.342 31.823 0.017 0.000 0.654 357 V HN 0.441 nan 8.190 nan 0.000 0.451 358 R N 0.309 120.814 120.500 0.009 0.000 2.096 358 R HA -0.238 4.101 4.340 -0.001 0.000 0.240 358 R C 2.253 178.555 176.300 0.003 0.000 1.139 358 R CA 2.286 58.388 56.100 0.003 0.000 0.952 358 R CB -0.294 30.007 30.300 0.002 0.000 0.854 358 R HN 0.635 nan 8.270 nan 0.000 0.436 359 E N 0.564 120.768 120.200 0.007 0.000 2.058 359 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 359 E C 2.185 178.796 176.600 0.018 0.000 0.997 359 E CA 1.563 57.968 56.400 0.008 0.000 0.801 359 E CB -0.169 29.535 29.700 0.007 0.000 0.746 359 E HN 0.386 nan 8.360 nan 0.000 0.450 360 L N 0.499 121.739 121.223 0.027 0.000 2.013 360 L HA -0.271 4.068 4.340 -0.001 0.000 0.212 360 L C 2.700 179.577 176.870 0.012 0.000 1.073 360 L CA 1.025 55.883 54.840 0.030 0.000 0.753 360 L CB -0.653 41.417 42.059 0.018 0.000 0.890 360 L HN 0.344 nan 8.230 nan 0.000 0.432 361 C N -0.511 118.790 119.300 0.001 0.000 2.413 361 C HA -0.178 4.282 4.460 -0.001 0.000 0.277 361 C C 2.852 177.834 174.990 -0.013 0.000 1.265 361 C CA 0.648 59.659 59.018 -0.011 0.000 1.752 361 C CB -0.890 26.841 27.740 -0.015 0.000 1.998 361 C HN 0.541 nan 8.230 nan 0.000 0.489 362 Q N 0.315 120.111 119.800 -0.007 0.000 2.061 362 Q HA -0.107 4.232 4.340 -0.001 0.000 0.204 362 Q C 2.534 178.531 176.000 -0.006 0.000 0.984 362 Q CA 1.887 57.685 55.803 -0.009 0.000 0.846 362 Q CB -0.507 28.227 28.738 -0.007 0.000 0.902 362 Q HN 0.794 nan 8.270 nan 0.000 0.421 363 G N 0.959 109.762 108.800 0.004 0.000 2.421 363 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 363 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 363 G C 1.361 176.263 174.900 0.004 0.000 1.171 363 G CA 0.608 45.715 45.100 0.011 0.000 0.775 363 G HN 0.245 nan 8.290 nan 0.000 0.543 364 L N 1.459 122.681 121.223 -0.001 0.000 2.217 364 L HA 0.244 4.584 4.340 -0.001 0.000 0.211 364 L C 2.641 179.492 176.870 -0.032 0.000 1.107 364 L CA 1.786 56.618 54.840 -0.013 0.000 0.783 364 L CB -0.595 41.454 42.059 -0.016 0.000 0.919 364 L HN 0.147 nan 8.230 nan 0.000 0.442 365 G N -0.980 107.800 108.800 -0.034 0.000 2.598 365 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.215 365 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.215 365 G C 0.605 175.482 174.900 -0.038 0.000 1.131 365 G CA -0.184 44.888 45.100 -0.048 0.000 0.785 365 G HN 0.408 nan 8.290 nan 0.000 0.539 366 Q N 1.327 121.113 119.800 -0.024 0.000 2.332 366 Q HA 0.170 4.509 4.340 -0.001 0.000 0.263 366 Q C -2.268 173.723 176.000 -0.016 0.000 0.979 366 Q CA -1.812 53.981 55.803 -0.016 0.000 0.885 366 Q CB 0.816 29.549 28.738 -0.009 0.000 1.218 366 Q HN 0.155 nan 8.270 nan 0.000 0.405 367 P HA -0.076 nan 4.420 nan 0.000 0.265 367 P C 0.689 177.986 177.300 -0.005 0.000 1.187 367 P CA 0.897 63.994 63.100 -0.004 0.000 0.766 367 P CB 0.410 32.111 31.700 0.001 0.000 0.820 368 G N 1.394 110.192 108.800 -0.003 0.000 2.217 368 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.246 368 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.246 368 G C 0.339 175.230 174.900 -0.015 0.000 0.990 368 G CA 0.290 45.385 45.100 -0.010 0.000 0.627 368 G HN 0.891 nan 8.290 nan 0.000 0.522 369 S N -0.180 115.513 115.700 -0.012 0.000 2.568 369 S HA 0.446 4.916 4.470 -0.001 0.000 0.282 369 S C 1.436 176.029 174.600 -0.011 0.000 1.338 369 S CA 0.571 58.765 58.200 -0.011 0.000 1.045 369 S CB 1.868 65.062 63.200 -0.010 0.000 0.873 369 S HN 1.726 nan 8.310 nan 0.000 0.516 370 V N -0.411 119.497 119.914 -0.010 0.000 3.556 370 V HA 0.409 4.529 4.120 -0.001 0.000 0.287 370 V C 0.418 176.513 176.094 0.002 0.000 1.422 370 V CA -0.457 61.837 62.300 -0.010 0.000 1.038 370 V CB -0.689 31.118 31.823 -0.027 0.000 0.850 370 V HN 0.727 nan 8.190 nan 0.000 0.437 371 L N 2.115 123.341 121.223 0.005 0.000 2.615 371 L HA 0.159 4.498 4.340 -0.001 0.000 0.284 371 L C 1.618 178.486 176.870 -0.003 0.000 1.237 371 L CA 1.085 55.929 54.840 0.007 0.000 0.905 371 L CB 0.341 42.403 42.059 0.005 0.000 1.149 371 L HN 0.249 nan 8.230 nan 0.000 0.499 372 R N 2.671 123.172 120.500 0.000 0.000 2.167 372 R HA 0.273 4.612 4.340 -0.001 0.000 0.201 372 R C -0.669 175.608 176.300 -0.037 0.000 1.024 372 R CA 0.196 56.291 56.100 -0.009 0.000 1.053 372 R CB 0.527 30.834 30.300 0.011 0.000 0.987 372 R HN 0.445 nan 8.270 nan 0.000 0.493 373 V N 2.118 122.009 119.914 -0.039 0.000 2.577 373 V HA 0.342 4.462 4.120 -0.001 0.000 0.303 373 V C -1.341 174.700 176.094 -0.088 0.000 1.042 373 V CA -0.918 61.319 62.300 -0.105 0.000 0.872 373 V CB 2.084 33.870 31.823 -0.061 0.000 0.998 373 V HN 0.006 nan 8.190 nan 0.000 0.423 374 L N 5.202 126.328 121.223 -0.162 0.000 2.406 374 L HA 0.763 5.103 4.340 -0.001 0.000 0.272 374 L C -1.860 174.966 176.870 -0.074 0.000 0.980 374 L CA -0.192 54.616 54.840 -0.054 0.000 0.831 374 L CB 1.696 43.728 42.059 -0.045 0.000 1.253 374 L HN 0.637 nan 8.230 nan 0.000 0.406 375 W N 6.582 127.842 121.300 -0.067 0.000 2.417 375 W HA 0.630 5.290 4.660 -0.001 0.000 0.315 375 W C -0.291 176.207 176.519 -0.036 0.000 1.045 375 W CA -0.514 56.812 57.345 -0.030 0.000 1.221 375 W CB 1.136 30.588 29.460 -0.015 0.000 1.309 375 W HN 0.304 nan 8.180 nan 0.000 0.453 376 L N 3.780 125.111 121.223 0.181 0.000 3.193 376 L HA 0.437 4.776 4.340 -0.001 0.000 0.305 376 L C 0.725 177.662 176.870 0.110 0.000 1.299 376 L CA -0.574 54.330 54.840 0.105 0.000 0.904 376 L CB -0.273 41.819 42.059 0.055 0.000 1.331 376 L HN 0.535 nan 8.230 nan 0.000 0.588 377 A N -0.204 122.709 122.820 0.155 0.000 2.440 377 A HA 0.223 4.542 4.320 -0.001 0.000 0.251 377 A C 0.708 178.349 177.584 0.095 0.000 1.089 377 A CA 0.201 52.323 52.037 0.141 0.000 0.779 377 A CB 0.163 19.276 19.000 0.188 0.000 1.022 377 A HN 0.574 nan 8.150 nan 0.000 0.492 378 D N 0.314 120.763 120.400 0.082 0.000 2.689 378 D HA -0.170 4.470 4.640 -0.001 0.000 0.237 378 D C 0.158 176.487 176.300 0.048 0.000 1.148 378 D CA 1.240 55.276 54.000 0.059 0.000 0.656 378 D CB -1.482 39.346 40.800 0.047 0.000 1.050 378 D HN 0.464 nan 8.370 nan 0.000 0.426 379 C N 1.025 120.356 119.300 0.052 0.000 2.760 379 C HA 0.188 4.648 4.460 -0.001 0.000 0.293 379 C C 0.433 175.450 174.990 0.045 0.000 1.383 379 C CA -0.169 58.877 59.018 0.047 0.000 1.771 379 C CB -0.724 27.044 27.740 0.047 0.000 2.353 379 C HN 0.541 nan 8.230 nan 0.000 0.578 380 D N 0.367 120.793 120.400 0.044 0.000 2.772 380 D HA -0.125 4.514 4.640 -0.001 0.000 0.233 380 D C -0.056 176.267 176.300 0.039 0.000 1.143 380 D CA 0.633 54.657 54.000 0.041 0.000 0.700 380 D CB -1.261 39.562 40.800 0.038 0.000 1.076 380 D HN 0.331 nan 8.370 nan 0.000 0.430 381 V N 0.720 120.659 119.914 0.042 0.000 2.488 381 V HA 0.367 4.486 4.120 -0.001 0.000 0.277 381 V C 1.157 177.274 176.094 0.039 0.000 1.046 381 V CA 0.181 62.504 62.300 0.038 0.000 0.986 381 V CB 1.553 33.400 31.823 0.040 0.000 0.989 381 V HN 0.395 nan 8.190 nan 0.000 0.475 382 S N 2.548 118.268 115.700 0.032 0.000 2.786 382 S HA 0.391 4.861 4.470 -0.001 0.000 0.307 382 S C 0.631 175.246 174.600 0.025 0.000 1.121 382 S CA -0.708 57.511 58.200 0.032 0.000 0.975 382 S CB 1.345 64.562 63.200 0.029 0.000 1.220 382 S HN 0.565 nan 8.310 nan 0.000 0.550 383 D N 1.228 121.642 120.400 0.023 0.000 2.221 383 D HA -0.046 4.594 4.640 -0.001 0.000 0.204 383 D C 2.006 178.311 176.300 0.008 0.000 0.982 383 D CA 1.363 55.371 54.000 0.014 0.000 0.857 383 D CB -0.630 40.177 40.800 0.012 0.000 0.934 383 D HN 0.502 nan 8.370 nan 0.000 0.475 384 S N 0.271 115.977 115.700 0.010 0.000 2.365 384 S HA -0.157 4.313 4.470 -0.001 0.000 0.225 384 S C 2.151 176.753 174.600 0.004 0.000 1.039 384 S CA 1.057 59.261 58.200 0.006 0.000 1.033 384 S CB -0.341 62.864 63.200 0.009 0.000 0.887 384 S HN 0.158 nan 8.310 nan 0.000 0.447 385 S N 0.304 116.009 115.700 0.008 0.000 2.442 385 S HA -0.087 4.382 4.470 -0.001 0.000 0.236 385 S C 1.923 176.522 174.600 -0.001 0.000 1.007 385 S CA 0.700 58.904 58.200 0.005 0.000 0.965 385 S CB -0.520 62.687 63.200 0.011 0.000 0.773 385 S HN 0.616 nan 8.310 nan 0.000 0.504 386 C N 1.617 120.915 119.300 -0.002 0.000 2.432 386 C HA -0.014 4.446 4.460 -0.001 0.000 0.282 386 C C 3.086 178.066 174.990 -0.016 0.000 1.388 386 C CA 0.855 59.867 59.018 -0.010 0.000 1.777 386 C CB -1.435 26.299 27.740 -0.010 0.000 1.882 386 C HN 0.799 nan 8.230 nan 0.000 0.520 387 S N 0.522 116.214 115.700 -0.013 0.000 2.371 387 S HA -0.112 4.358 4.470 -0.001 0.000 0.224 387 S C 1.789 176.378 174.600 -0.019 0.000 1.029 387 S CA 1.763 59.953 58.200 -0.017 0.000 0.978 387 S CB -0.547 62.645 63.200 -0.013 0.000 0.833 387 S HN 0.552 nan 8.310 nan 0.000 0.466 388 S N 2.353 118.044 115.700 -0.015 0.000 2.359 388 S HA 0.051 4.521 4.470 -0.001 0.000 0.224 388 S C 1.840 176.426 174.600 -0.024 0.000 1.035 388 S CA 1.573 59.763 58.200 -0.017 0.000 1.018 388 S CB -0.677 62.516 63.200 -0.012 0.000 0.876 388 S HN 0.464 nan 8.310 nan 0.000 0.448 389 L N 1.116 122.325 121.223 -0.023 0.000 2.046 389 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 389 L C 2.795 179.641 176.870 -0.039 0.000 1.077 389 L CA 1.219 56.041 54.840 -0.030 0.000 0.747 389 L CB -0.697 41.347 42.059 -0.026 0.000 0.896 389 L HN 0.320 nan 8.230 nan 0.000 0.432 390 A N -0.019 122.780 122.820 -0.036 0.000 1.908 390 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 390 A C 2.514 180.072 177.584 -0.042 0.000 1.181 390 A CA 1.883 53.897 52.037 -0.040 0.000 0.627 390 A CB -0.735 18.244 19.000 -0.035 0.000 0.818 390 A HN 0.420 nan 8.150 nan 0.000 0.445 391 A N -1.198 121.599 122.820 -0.039 0.000 1.898 391 A HA -0.057 4.262 4.320 -0.001 0.000 0.216 391 A C 2.292 179.839 177.584 -0.061 0.000 1.181 391 A CA 2.191 54.203 52.037 -0.042 0.000 0.620 391 A CB -1.207 17.773 19.000 -0.033 0.000 0.819 391 A HN 0.419 nan 8.150 nan 0.000 0.442 392 T N 0.520 115.037 114.554 -0.061 0.000 2.867 392 T HA -0.044 4.306 4.350 -0.001 0.000 0.268 392 T C 1.673 176.307 174.700 -0.110 0.000 1.057 392 T CA 1.270 63.322 62.100 -0.079 0.000 1.136 392 T CB -0.362 68.471 68.868 -0.059 0.000 0.874 392 T HN 0.351 nan 8.240 nan 0.000 0.466 393 L N 0.293 121.462 121.223 -0.090 0.000 2.353 393 L HA 0.035 4.375 4.340 -0.001 0.000 0.220 393 L C 2.001 178.801 176.870 -0.117 0.000 1.133 393 L CA 0.895 55.680 54.840 -0.092 0.000 0.798 393 L CB -0.335 41.687 42.059 -0.062 0.000 0.922 393 L HN 0.289 nan 8.230 nan 0.000 0.445 394 L N -1.906 119.244 121.223 -0.122 0.000 2.515 394 L HA 0.150 4.490 4.340 -0.001 0.000 0.223 394 L C 2.457 179.174 176.870 -0.255 0.000 1.079 394 L CA 0.403 55.176 54.840 -0.112 0.000 0.857 394 L CB -0.239 41.802 42.059 -0.029 0.000 1.050 394 L HN 0.125 nan 8.230 nan 0.000 0.476 395 A N -0.297 122.369 122.820 -0.257 0.000 1.901 395 A HA -0.012 4.308 4.320 -0.001 0.000 0.210 395 A C 1.184 178.548 177.584 -0.367 0.000 1.208 395 A CA 0.260 52.157 52.037 -0.234 0.000 0.644 395 A CB -0.214 18.716 19.000 -0.117 0.000 0.863 395 A HN 0.353 nan 8.150 nan 0.000 0.454 396 N N -0.444 118.052 118.700 -0.341 0.000 2.530 396 N HA 0.152 4.891 4.740 -0.001 0.000 0.277 396 N C -0.504 174.720 175.510 -0.476 0.000 1.168 396 N CA 0.152 53.029 53.050 -0.289 0.000 0.979 396 N CB 0.460 38.860 38.487 -0.144 0.000 1.141 396 N HN 0.438 nan 8.380 nan 0.000 0.459 397 H N -0.344 118.715 119.070 -0.020 0.000 3.078 397 H HA 0.105 4.661 4.556 -0.001 0.000 0.263 397 H C 1.183 176.498 175.328 -0.021 0.000 1.177 397 H CA -0.047 55.988 56.048 -0.021 0.000 1.128 397 H CB 0.698 30.449 29.762 -0.019 0.000 1.623 397 H HN 0.657 nan 8.280 nan 0.000 0.592 398 S N 0.035 115.766 115.700 0.051 0.000 2.458 398 S HA 0.011 4.481 4.470 -0.001 0.000 0.223 398 S C 0.814 175.418 174.600 0.006 0.000 1.019 398 S CA -0.268 57.948 58.200 0.026 0.000 0.937 398 S CB 0.052 63.258 63.200 0.010 0.000 0.788 398 S HN 0.146 nan 8.310 nan 0.000 0.511 399 L N 2.718 123.934 121.223 -0.012 0.000 2.455 399 L HA 0.348 4.688 4.340 -0.001 0.000 0.272 399 L C 1.212 178.064 176.870 -0.031 0.000 1.174 399 L CA 0.082 54.903 54.840 -0.031 0.000 0.869 399 L CB 0.541 42.570 42.059 -0.050 0.000 1.130 399 L HN 0.047 nan 8.230 nan 0.000 0.474 400 R N 2.606 123.080 120.500 -0.044 0.000 2.342 400 R HA 0.313 4.653 4.340 -0.001 0.000 0.204 400 R C -0.430 175.823 176.300 -0.079 0.000 0.882 400 R CA 0.247 56.320 56.100 -0.045 0.000 1.041 400 R CB 0.405 30.687 30.300 -0.029 0.000 1.188 400 R HN 0.676 nan 8.270 nan 0.000 0.598 401 E N 0.719 120.849 120.200 -0.117 0.000 2.290 401 E HA 0.392 4.741 4.350 -0.001 0.000 0.274 401 E C -1.602 174.857 176.600 -0.235 0.000 0.889 401 E CA -0.753 55.535 56.400 -0.186 0.000 0.760 401 E CB 2.577 32.128 29.700 -0.248 0.000 1.206 401 E HN -0.208 nan 8.360 nan 0.000 0.419 402 L N 2.461 123.549 121.223 -0.226 0.000 2.439 402 L HA 0.472 4.811 4.340 -0.001 0.000 0.270 402 L C -1.724 175.025 176.870 -0.200 0.000 0.972 402 L CA -0.473 54.249 54.840 -0.197 0.000 0.836 402 L CB 1.769 43.757 42.059 -0.118 0.000 1.255 402 L HN 0.445 nan 8.230 nan 0.000 0.404 403 D N 4.525 124.807 120.400 -0.198 0.000 2.381 403 D HA 0.403 5.043 4.640 -0.001 0.000 0.235 403 D C -0.202 176.115 176.300 0.028 0.000 1.068 403 D CA -0.048 53.902 54.000 -0.084 0.000 0.832 403 D CB 1.113 41.879 40.800 -0.056 0.000 1.101 403 D HN 0.633 nan 8.370 nan 0.000 0.515 404 L N 2.203 123.451 121.223 0.042 0.000 3.066 404 L HA 0.257 4.597 4.340 -0.001 0.000 0.265 404 L C 0.576 177.512 176.870 0.110 0.000 1.232 404 L CA -0.388 54.493 54.840 0.069 0.000 1.031 404 L CB 0.384 42.470 42.059 0.045 0.000 1.379 404 L HN 0.179 nan 8.230 nan 0.000 0.563 405 S N 0.839 116.628 115.700 0.148 0.000 2.559 405 S HA -0.045 4.424 4.470 -0.001 0.000 0.282 405 S C 1.034 175.727 174.600 0.154 0.000 1.336 405 S CA 0.100 58.415 58.200 0.192 0.000 1.037 405 S CB 0.223 63.596 63.200 0.289 0.000 0.853 405 S HN 0.574 nan 8.310 nan 0.000 0.523 406 N N 1.394 120.181 118.700 0.144 0.000 2.735 406 N HA -0.173 4.567 4.740 -0.001 0.000 0.248 406 N C -1.109 174.453 175.510 0.086 0.000 1.083 406 N CA 0.503 53.615 53.050 0.103 0.000 0.703 406 N CB -1.378 37.164 38.487 0.091 0.000 1.005 406 N HN 0.584 nan 8.380 nan 0.000 0.550 407 N N -0.939 117.817 118.700 0.092 0.000 2.457 407 N HA 0.369 5.109 4.740 -0.001 0.000 0.290 407 N C -0.172 175.386 175.510 0.079 0.000 1.232 407 N CA -0.365 52.732 53.050 0.078 0.000 0.852 407 N CB 0.952 39.485 38.487 0.076 0.000 1.313 407 N HN 0.139 nan 8.380 nan 0.000 0.522 408 C N 1.637 120.978 119.300 0.067 0.000 2.554 408 C HA 0.345 4.805 4.460 -0.001 0.000 0.434 408 C C 0.891 175.923 174.990 0.070 0.000 1.316 408 C CA -0.588 58.471 59.018 0.068 0.000 1.671 408 C CB -2.398 25.375 27.740 0.054 0.000 2.172 408 C HN 0.275 nan 8.230 nan 0.000 0.601 409 L N 0.783 122.056 121.223 0.085 0.000 2.421 409 L HA 0.706 5.046 4.340 -0.001 0.000 0.263 409 L C 0.936 177.862 176.870 0.093 0.000 1.122 409 L CA 0.180 55.069 54.840 0.082 0.000 0.804 409 L CB 0.690 42.806 42.059 0.095 0.000 1.150 409 L HN 0.491 nan 8.230 nan 0.000 0.457 410 G N -0.282 108.557 108.800 0.064 0.000 3.166 410 G HA2 0.215 4.175 3.960 -0.001 0.000 0.267 410 G HA3 0.215 4.175 3.960 -0.001 0.000 0.267 410 G C -0.268 174.649 174.900 0.029 0.000 1.256 410 G CA -0.177 44.948 45.100 0.042 0.000 0.859 410 G HN 0.516 nan 8.290 nan 0.000 0.590 411 D N 0.108 120.502 120.400 -0.010 0.000 2.116 411 D HA -0.122 4.518 4.640 -0.001 0.000 0.193 411 D C 2.687 178.969 176.300 -0.029 0.000 0.998 411 D CA 2.042 56.028 54.000 -0.023 0.000 0.836 411 D CB -0.336 40.440 40.800 -0.041 0.000 0.951 411 D HN 0.398 nan 8.370 nan 0.000 0.449 412 A N 0.303 123.110 122.820 -0.020 0.000 1.908 412 A HA -0.038 4.281 4.320 -0.001 0.000 0.218 412 A C 2.348 179.920 177.584 -0.020 0.000 1.181 412 A CA 2.213 54.239 52.037 -0.020 0.000 0.627 412 A CB -1.108 17.885 19.000 -0.011 0.000 0.818 412 A HN 0.323 nan 8.150 nan 0.000 0.445 413 G N 0.070 108.865 108.800 -0.009 0.000 2.414 413 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.215 413 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.215 413 G C 1.506 176.390 174.900 -0.026 0.000 1.188 413 G CA 1.097 46.193 45.100 -0.008 0.000 0.783 413 G HN 0.460 nan 8.290 nan 0.000 0.537 414 I N 0.308 120.858 120.570 -0.034 0.000 2.208 414 I HA -0.166 4.004 4.170 -0.001 0.000 0.245 414 I C 2.565 178.618 176.117 -0.106 0.000 1.097 414 I CA 0.557 61.805 61.300 -0.087 0.000 1.363 414 I CB -0.304 37.614 38.000 -0.136 0.000 1.051 414 I HN 0.132 nan 8.210 nan 0.000 0.413 415 L N 0.670 121.840 121.223 -0.087 0.000 2.043 415 L HA -0.296 4.044 4.340 -0.001 0.000 0.212 415 L C 2.523 179.353 176.870 -0.067 0.000 1.075 415 L CA 1.972 56.764 54.840 -0.080 0.000 0.752 415 L CB -0.821 41.201 42.059 -0.061 0.000 0.891 415 L HN 0.310 nan 8.230 nan 0.000 0.432 416 Q N -1.067 118.702 119.800 -0.053 0.000 2.124 416 Q HA -0.183 4.157 4.340 -0.001 0.000 0.202 416 Q C 2.265 178.235 176.000 -0.051 0.000 0.977 416 Q CA 1.704 57.480 55.803 -0.044 0.000 0.850 416 Q CB -0.240 28.478 28.738 -0.033 0.000 0.901 416 Q HN 0.540 nan 8.270 nan 0.000 0.429 417 L N -0.231 120.956 121.223 -0.061 0.000 2.027 417 L HA -0.165 4.175 4.340 -0.001 0.000 0.206 417 L C 2.380 179.203 176.870 -0.078 0.000 1.074 417 L CA 0.712 55.511 54.840 -0.068 0.000 0.745 417 L CB -0.632 41.382 42.059 -0.075 0.000 0.898 417 L HN 0.084 nan 8.230 nan 0.000 0.433 418 V N -0.183 119.674 119.914 -0.096 0.000 2.252 418 V HA -0.284 3.836 4.120 -0.001 0.000 0.249 418 V C 2.579 178.630 176.094 -0.072 0.000 1.056 418 V CA 1.778 64.018 62.300 -0.099 0.000 1.022 418 V CB -0.542 31.209 31.823 -0.120 0.000 0.641 418 V HN 0.438 nan 8.190 nan 0.000 0.445 419 E N 0.035 120.198 120.200 -0.061 0.000 2.160 419 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 419 E C 2.432 179.008 176.600 -0.039 0.000 0.991 419 E CA 1.563 57.935 56.400 -0.046 0.000 0.810 419 E CB -0.355 29.321 29.700 -0.040 0.000 0.742 419 E HN 0.594 nan 8.360 nan 0.000 0.466 420 S N 0.131 115.806 115.700 -0.042 0.000 2.356 420 S HA -0.087 4.382 4.470 -0.001 0.000 0.219 420 S C 2.237 176.816 174.600 -0.034 0.000 1.036 420 S CA 1.072 59.252 58.200 -0.035 0.000 0.965 420 S CB -0.157 63.020 63.200 -0.038 0.000 0.864 420 S HN 0.301 nan 8.310 nan 0.000 0.471 421 V N 3.062 122.948 119.914 -0.047 0.000 2.594 421 V HA -0.153 3.966 4.120 -0.001 0.000 0.253 421 V C 2.160 178.228 176.094 -0.043 0.000 1.069 421 V CA 1.837 64.109 62.300 -0.047 0.000 1.082 421 V CB -1.138 30.647 31.823 -0.064 0.000 0.680 421 V HN 0.548 nan 8.190 nan 0.000 0.469 422 R N 0.859 121.332 120.500 -0.046 0.000 2.152 422 R HA -0.046 4.294 4.340 -0.001 0.000 0.232 422 R C 1.125 177.407 176.300 -0.030 0.000 1.117 422 R CA 0.684 56.759 56.100 -0.042 0.000 0.981 422 R CB -0.551 29.721 30.300 -0.045 0.000 0.870 422 R HN 0.629 nan 8.270 nan 0.000 0.451 423 Q N 1.775 121.562 119.800 -0.022 0.000 2.332 423 Q HA 0.087 4.427 4.340 -0.001 0.000 0.263 423 Q C -1.655 174.339 176.000 -0.010 0.000 0.979 423 Q CA -1.833 53.962 55.803 -0.014 0.000 0.885 423 Q CB 1.133 29.868 28.738 -0.005 0.000 1.218 423 Q HN 0.087 nan 8.270 nan 0.000 0.405 424 P HA -0.206 nan 4.420 nan 0.000 0.217 424 P C 0.900 178.190 177.300 -0.017 0.000 1.148 424 P CA 1.541 64.630 63.100 -0.017 0.000 0.828 424 P CB 0.125 31.813 31.700 -0.020 0.000 0.783 425 G N -1.150 107.646 108.800 -0.007 0.000 2.650 425 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.214 425 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.214 425 G C 0.375 175.311 174.900 0.060 0.000 1.136 425 G CA -0.050 45.048 45.100 -0.004 0.000 0.789 425 G HN 0.398 nan 8.290 nan 0.000 0.536 426 C N 1.459 120.791 119.300 0.054 0.000 2.482 426 C HA 0.538 4.998 4.460 -0.001 0.000 0.378 426 C C 1.381 176.396 174.990 0.042 0.000 1.284 426 C CA -0.774 58.286 59.018 0.069 0.000 1.826 426 C CB -0.856 26.897 27.740 0.021 0.000 2.473 426 C HN 0.358 nan 8.230 nan 0.000 0.562 427 L N 5.937 127.200 121.223 0.067 0.000 2.741 427 L HA 0.234 4.574 4.340 -0.001 0.000 0.237 427 L C 0.545 177.419 176.870 0.007 0.000 1.178 427 L CA -0.343 54.514 54.840 0.028 0.000 0.973 427 L CB -0.580 41.498 42.059 0.032 0.000 1.255 427 L HN 0.581 nan 8.230 nan 0.000 0.498 428 L N 0.638 121.859 121.223 -0.004 0.000 2.499 428 L HA -0.030 4.309 4.340 -0.001 0.000 0.273 428 L C 1.196 178.044 176.870 -0.036 0.000 1.195 428 L CA 1.001 55.824 54.840 -0.029 0.000 0.882 428 L CB 0.484 42.517 42.059 -0.044 0.000 1.133 428 L HN 0.172 nan 8.230 nan 0.000 0.483 429 E N 2.365 122.539 120.200 -0.043 0.000 2.389 429 E HA 0.080 4.430 4.350 -0.001 0.000 0.199 429 E C -0.173 176.394 176.600 -0.056 0.000 0.978 429 E CA 0.104 56.479 56.400 -0.042 0.000 0.912 429 E CB 0.561 30.241 29.700 -0.032 0.000 0.907 429 E HN 0.659 nan 8.360 nan 0.000 0.494 430 Q N 1.086 120.840 119.800 -0.077 0.000 2.268 430 Q HA 0.421 4.761 4.340 -0.001 0.000 0.266 430 Q C -2.143 173.785 176.000 -0.119 0.000 1.006 430 Q CA -0.646 55.099 55.803 -0.096 0.000 0.824 430 Q CB 1.712 30.388 28.738 -0.103 0.000 1.306 430 Q HN 0.017 nan 8.270 nan 0.000 0.424 431 L N 4.597 125.750 121.223 -0.116 0.000 2.404 431 L HA 0.594 4.934 4.340 -0.001 0.000 0.272 431 L C -1.784 175.012 176.870 -0.124 0.000 0.980 431 L CA -0.556 54.213 54.840 -0.119 0.000 0.836 431 L CB 2.042 44.038 42.059 -0.105 0.000 1.238 431 L HN 0.477 nan 8.230 nan 0.000 0.408 432 V N 6.790 126.628 119.914 -0.126 0.000 2.370 432 V HA 0.434 4.554 4.120 -0.001 0.000 0.283 432 V C 0.264 176.323 176.094 -0.059 0.000 1.023 432 V CA -0.301 61.916 62.300 -0.137 0.000 0.857 432 V CB 1.325 33.081 31.823 -0.112 0.000 0.985 432 V HN 0.678 nan 8.190 nan 0.000 0.443 433 L N 5.045 126.226 121.223 -0.070 0.000 3.025 433 L HA 0.406 4.746 4.340 -0.001 0.000 0.307 433 L C -0.398 176.561 176.870 0.149 0.000 1.303 433 L CA -0.263 54.646 54.840 0.114 0.000 0.817 433 L CB 0.086 42.288 42.059 0.238 0.000 1.227 433 L HN 0.526 nan 8.230 nan 0.000 0.571 434 Y N 0.727 121.108 120.300 0.135 0.000 2.550 434 Y HA -0.064 4.486 4.550 -0.001 0.000 0.343 434 Y C 1.047 176.976 175.900 0.048 0.000 1.245 434 Y CA 0.339 58.487 58.100 0.080 0.000 1.462 434 Y CB 0.432 38.935 38.460 0.072 0.000 1.340 434 Y HN 0.327 nan 8.280 nan 0.000 0.604 435 D N 1.546 122.055 120.400 0.181 0.000 2.907 435 D HA -0.213 4.427 4.640 -0.001 0.000 0.226 435 D C -1.003 175.329 176.300 0.054 0.000 1.141 435 D CA 0.824 54.872 54.000 0.081 0.000 0.779 435 D CB -1.229 39.628 40.800 0.095 0.000 1.095 435 D HN 0.346 nan 8.370 nan 0.000 0.430 436 I N 0.831 121.402 120.570 0.002 0.000 2.466 436 I HA 0.208 4.377 4.170 -0.001 0.000 0.289 436 I C -0.001 176.060 176.117 -0.093 0.000 1.026 436 I CA -0.992 60.335 61.300 0.045 0.000 1.078 436 I CB 1.880 40.010 38.000 0.216 0.000 1.249 436 I HN -0.052 nan 8.210 nan 0.000 0.429 437 Y N 7.154 127.383 120.300 -0.118 0.000 2.393 437 Y HA 0.374 4.924 4.550 -0.000 0.000 0.338 437 Y C -0.973 174.925 175.900 -0.004 0.000 1.029 437 Y CA -0.784 57.212 58.100 -0.173 0.000 1.239 437 Y CB 0.580 38.993 38.460 -0.077 0.000 1.170 437 Y HN 0.654 nan 8.280 nan 0.000 0.515 438 W N 4.444 125.674 121.300 -0.116 0.000 2.882 438 W HA 0.674 5.334 4.660 -0.001 0.000 0.345 438 W C -0.989 175.336 176.519 -0.324 0.000 1.125 438 W CA -1.375 55.785 57.345 -0.309 0.000 1.167 438 W CB -0.092 29.294 29.460 -0.123 0.000 1.431 438 W HN 0.585 nan 8.180 nan 0.000 0.543 439 S N 0.622 116.307 115.700 -0.025 0.000 2.596 439 S HA 0.047 4.516 4.470 -0.001 0.000 0.260 439 S C 0.821 175.529 174.600 0.179 0.000 1.336 439 S CA 0.092 58.303 58.200 0.018 0.000 0.993 439 S CB 0.998 64.186 63.200 -0.020 0.000 0.923 439 S HN 0.605 nan 8.310 nan 0.000 0.567 440 E N 0.884 121.164 120.200 0.134 0.000 2.268 440 E HA -0.082 4.267 4.350 -0.001 0.000 0.195 440 E C 1.925 178.583 176.600 0.098 0.000 0.995 440 E CA 0.850 57.330 56.400 0.134 0.000 0.836 440 E CB -0.269 29.489 29.700 0.097 0.000 0.763 440 E HN 0.700 nan 8.360 nan 0.000 0.491 441 E N 0.130 120.369 120.200 0.065 0.000 2.072 441 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 441 E C 1.996 178.600 176.600 0.007 0.000 0.985 441 E CA 0.726 57.143 56.400 0.028 0.000 0.801 441 E CB -0.259 29.448 29.700 0.012 0.000 0.750 441 E HN 0.180 nan 8.360 nan 0.000 0.452 442 M N 1.455 121.063 119.600 0.014 0.000 2.175 442 M HA -0.132 4.348 4.480 -0.001 0.000 0.264 442 M C 1.956 178.168 176.300 -0.147 0.000 1.063 442 M CA 1.411 56.658 55.300 -0.088 0.000 1.119 442 M CB -0.200 32.340 32.600 -0.102 0.000 1.377 442 M HN -0.084 nan 8.290 nan 0.000 0.415 443 E N 0.413 120.657 120.200 0.074 0.000 2.085 443 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 443 E C 1.449 178.068 176.600 0.032 0.000 0.994 443 E CA 2.119 58.610 56.400 0.152 0.000 0.801 443 E CB -0.398 29.510 29.700 0.348 0.000 0.743 443 E HN 0.543 nan 8.360 nan 0.000 0.453 444 D N -0.258 120.156 120.400 0.023 0.000 2.117 444 D HA -0.142 4.498 4.640 -0.001 0.000 0.198 444 D C 2.005 178.283 176.300 -0.037 0.000 0.982 444 D CA 0.963 54.964 54.000 0.001 0.000 0.828 444 D CB -0.362 40.443 40.800 0.009 0.000 0.967 444 D HN 0.196 nan 8.370 nan 0.000 0.464 445 R N 0.413 120.873 120.500 -0.066 0.000 2.105 445 R HA -0.072 4.268 4.340 -0.001 0.000 0.239 445 R C 2.431 178.657 176.300 -0.122 0.000 1.135 445 R CA 0.730 56.775 56.100 -0.091 0.000 0.967 445 R CB -0.196 30.039 30.300 -0.108 0.000 0.861 445 R HN 0.169 nan 8.270 nan 0.000 0.442 446 L N 0.135 121.254 121.223 -0.174 0.000 2.044 446 L HA -0.171 4.169 4.340 -0.001 0.000 0.205 446 L C 2.568 179.370 176.870 -0.113 0.000 1.075 446 L CA 1.391 56.107 54.840 -0.207 0.000 0.747 446 L CB -0.372 41.475 42.059 -0.353 0.000 0.903 446 L HN 0.292 nan 8.230 nan 0.000 0.435 447 Q N -0.342 119.419 119.800 -0.064 0.000 2.124 447 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 447 Q C 2.401 178.381 176.000 -0.033 0.000 0.977 447 Q CA 1.482 57.269 55.803 -0.028 0.000 0.850 447 Q CB -0.237 28.503 28.738 0.003 0.000 0.901 447 Q HN 0.558 nan 8.270 nan 0.000 0.429 448 A N 1.014 123.809 122.820 -0.041 0.000 1.877 448 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 448 A C 2.057 179.614 177.584 -0.045 0.000 1.186 448 A CA 1.255 53.269 52.037 -0.038 0.000 0.620 448 A CB -0.645 18.332 19.000 -0.039 0.000 0.822 448 A HN 0.362 nan 8.150 nan 0.000 0.443 449 L N -0.159 121.026 121.223 -0.063 0.000 2.046 449 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 449 L C 2.176 179.012 176.870 -0.056 0.000 1.077 449 L CA 2.332 57.132 54.840 -0.067 0.000 0.747 449 L CB -0.648 41.355 42.059 -0.093 0.000 0.896 449 L HN 0.365 nan 8.230 nan 0.000 0.432 450 E N -0.014 120.153 120.200 -0.056 0.000 2.058 450 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 450 E C 2.197 178.780 176.600 -0.030 0.000 0.997 450 E CA 1.097 57.471 56.400 -0.042 0.000 0.801 450 E CB -0.242 29.437 29.700 -0.034 0.000 0.746 450 E HN 0.433 nan 8.360 nan 0.000 0.450 451 K N 0.688 121.072 120.400 -0.026 0.000 2.103 451 K HA -0.102 4.217 4.320 -0.001 0.000 0.204 451 K C 1.369 177.957 176.600 -0.020 0.000 1.052 451 K CA 0.864 57.140 56.287 -0.019 0.000 0.945 451 K CB 0.023 32.514 32.500 -0.016 0.000 0.722 451 K HN 0.050 nan 8.250 nan 0.000 0.443 452 D N 0.145 120.529 120.400 -0.026 0.000 2.323 452 D HA -0.057 4.583 4.640 -0.001 0.000 0.209 452 D C 0.542 176.827 176.300 -0.026 0.000 0.973 452 D CA 0.764 54.749 54.000 -0.025 0.000 0.874 452 D CB 0.324 41.107 40.800 -0.028 0.000 0.930 452 D HN 0.032 nan 8.370 nan 0.000 0.521 453 K N 0.768 121.150 120.400 -0.029 0.000 2.992 453 K HA 0.147 4.466 4.320 -0.001 0.000 0.178 453 K C -2.227 174.356 176.600 -0.028 0.000 1.122 453 K CA -1.147 55.123 56.287 -0.029 0.000 0.926 453 K CB 1.655 34.135 32.500 -0.034 0.000 1.121 453 K HN -0.241 nan 8.250 nan 0.000 0.610 454 P HA -0.146 nan 4.420 nan 0.000 0.225 454 P C 0.965 178.253 177.300 -0.020 0.000 1.148 454 P CA 0.998 64.086 63.100 -0.020 0.000 0.779 454 P CB 0.282 31.974 31.700 -0.014 0.000 0.780 455 S N -0.960 114.727 115.700 -0.021 0.000 2.474 455 S HA -0.064 4.406 4.470 -0.001 0.000 0.235 455 S C 0.881 175.465 174.600 -0.026 0.000 0.997 455 S CA -0.001 58.187 58.200 -0.020 0.000 0.949 455 S CB -1.070 62.118 63.200 -0.019 0.000 0.766 455 S HN 0.106 nan 8.310 nan 0.000 0.517 456 L N 2.311 123.514 121.223 -0.032 0.000 2.272 456 L HA 0.547 4.887 4.340 -0.001 0.000 0.289 456 L C -0.152 176.691 176.870 -0.046 0.000 1.032 456 L CA -0.781 54.033 54.840 -0.042 0.000 0.810 456 L CB 1.126 43.155 42.059 -0.049 0.000 1.205 456 L HN 0.127 nan 8.230 nan 0.000 0.422 457 R N 4.355 124.826 120.500 -0.048 0.000 2.202 457 R HA 0.566 4.906 4.340 -0.001 0.000 0.334 457 R C -1.460 174.799 176.300 -0.069 0.000 1.036 457 R CA -0.554 55.516 56.100 -0.049 0.000 0.878 457 R CB 0.865 31.142 30.300 -0.039 0.000 1.067 457 R HN 0.611 nan 8.270 nan 0.000 0.457 458 V N 7.333 127.205 119.914 -0.070 0.000 2.333 458 V HA 0.307 4.426 4.120 -0.001 0.000 0.274 458 V C 0.312 176.358 176.094 -0.081 0.000 1.028 458 V CA -0.510 61.737 62.300 -0.088 0.000 0.851 458 V CB 1.052 32.811 31.823 -0.107 0.000 1.000 458 V HN 0.696 nan 8.190 nan 0.000 0.456 459 I N 5.383 125.872 120.570 -0.135 0.000 2.336 459 I HA 0.651 4.820 4.170 -0.001 0.000 0.292 459 I C 0.351 176.242 176.117 -0.378 0.000 0.991 459 I CA 0.227 61.392 61.300 -0.226 0.000 1.227 459 I CB 1.693 39.530 38.000 -0.272 0.000 1.366 459 I HN 0.825 nan 8.210 nan 0.000 0.466 460 S N 0.000 115.527 115.700 -0.288 0.000 2.498 460 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 460 S CA 0.000 58.058 58.200 -0.236 0.000 1.107 460 S CB 0.000 63.275 63.200 0.125 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517