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 2yy4_1_A DATA FIRST_RESID 1 DATA SEQUENCE SGFRKMAFPS GKVEGCMVQV TCGTTTLNGL WLDDTVYCPR HVICTAEDML DATA SEQUENCE NPNYEDLLIR KSNHSFLVQA GNVQLRVIGH SMQNCLLRLK VDTSNPKTPK DATA SEQUENCE YKFVRIQPGQ TFSVLACYNG SPSGVYQCAM RPNHTIKGSF LNGSAGSVGF DATA SEQUENCE NIDYDCVSFC YMHHMELPTG VHAGTDLEGK FYGPFVDRQT AQAAGTDTTI DATA SEQUENCE TLNVLAWLYA AVINGDRWFL NRFTTTLNDF NLVAMKYNYE PLTQDHVDIL DATA SEQUENCE GPLSAQTGIA VLDMCAALKE LLQNGMNGRT ILGSTILEDE FTPFDVVRQC DATA SEQUENCE SGVTFQGKFK 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 0.000 174.633 174.600 0.056 0.000 1.055 1 S CA 0.000 58.224 58.200 0.040 0.000 1.107 1 S CB 0.000 63.218 63.200 0.030 0.000 0.593 2 G N 0.078 108.926 108.800 0.081 0.000 2.697 2 G HA2 0.351 4.325 3.960 0.024 0.000 0.686 2 G HA3 0.351 4.325 3.960 0.024 0.000 0.686 2 G C -1.412 173.598 174.900 0.184 0.000 1.179 2 G CA -0.548 44.615 45.100 0.105 0.000 0.765 2 G HN 1.671 nan 8.290 nan 0.000 0.649 3 F N 2.878 122.831 119.950 0.005 0.000 2.536 3 F HA 0.824 5.367 4.527 0.026 0.000 0.322 3 F C 0.297 176.139 175.800 0.069 0.000 1.144 3 F CA -0.784 57.216 58.000 0.001 0.000 0.924 3 F CB 1.573 40.534 39.000 -0.065 0.000 1.181 3 F HN 0.645 nan 8.300 nan 0.000 0.438 4 R N 3.588 123.863 120.500 -0.375 0.000 2.740 4 R HA 0.303 4.657 4.340 0.024 0.000 0.273 4 R C -1.222 175.015 176.300 -0.105 0.000 0.998 4 R CA -1.341 54.678 56.100 -0.136 0.000 0.900 4 R CB 2.676 32.940 30.300 -0.061 0.000 1.223 4 R HN 0.527 nan 8.270 nan 0.000 0.466 5 K N 2.145 122.550 120.400 0.009 0.000 2.378 5 K HA 0.164 4.498 4.320 0.024 0.000 0.288 5 K C -0.501 176.002 176.600 -0.162 0.000 1.057 5 K CA 0.357 56.548 56.287 -0.159 0.000 0.971 5 K CB 0.549 32.900 32.500 -0.248 0.000 0.975 5 K HN 0.363 nan 8.250 nan 0.000 0.475 6 M N 3.438 122.919 119.600 -0.200 0.000 2.311 6 M HA 0.414 4.908 4.480 0.024 0.000 0.325 6 M C -1.071 175.060 176.300 -0.282 0.000 1.061 6 M CA -0.320 54.861 55.300 -0.198 0.000 0.957 6 M CB 1.733 34.221 32.600 -0.187 0.000 1.646 6 M HN 0.678 nan 8.290 nan 0.000 0.434 7 A N 3.366 126.049 122.820 -0.229 0.000 2.281 7 A HA 0.789 5.123 4.320 0.024 0.000 0.329 7 A C -1.113 176.332 177.584 -0.232 0.000 1.122 7 A CA -0.562 51.316 52.037 -0.264 0.000 0.850 7 A CB 0.553 19.465 19.000 -0.147 0.000 1.207 7 A HN 0.726 nan 8.150 nan 0.000 0.495 8 F N 1.377 121.274 119.950 -0.088 0.000 2.429 8 F HA 0.336 4.876 4.527 0.020 0.000 0.348 8 F C -1.435 174.442 175.800 0.128 0.000 1.109 8 F CA -1.674 56.340 58.000 0.024 0.000 1.232 8 F CB 0.371 39.403 39.000 0.054 0.000 1.157 8 F HN 0.306 nan 8.300 nan 0.000 0.564 9 P HA -0.013 nan 4.420 nan 0.000 0.264 9 P C 0.161 177.619 177.300 0.263 0.000 1.193 9 P CA 0.179 63.409 63.100 0.217 0.000 0.763 9 P CB 0.780 32.572 31.700 0.152 0.000 0.810 10 S N 1.750 117.576 115.700 0.211 0.000 2.528 10 S HA 0.006 4.490 4.470 0.024 0.000 0.219 10 S C 2.131 176.726 174.600 -0.009 0.000 0.985 10 S CA 0.511 58.797 58.200 0.143 0.000 0.914 10 S CB -1.005 62.298 63.200 0.172 0.000 0.776 10 S HN 0.509 nan 8.310 nan 0.000 0.526 11 G N 2.741 111.552 108.800 0.019 0.000 2.606 11 G HA2 -0.325 3.649 3.960 0.024 0.000 0.221 11 G HA3 -0.325 3.649 3.960 0.024 0.000 0.221 11 G C 1.467 176.341 174.900 -0.043 0.000 1.152 11 G CA 1.262 46.359 45.100 -0.005 0.000 0.765 11 G HN 0.592 nan 8.290 nan 0.000 0.595 12 K N -0.360 119.997 120.400 -0.070 0.000 2.103 12 K HA -0.005 4.329 4.320 0.024 0.000 0.207 12 K C 2.547 179.078 176.600 -0.114 0.000 1.048 12 K CA 1.112 57.345 56.287 -0.089 0.000 0.930 12 K CB -0.171 32.267 32.500 -0.105 0.000 0.716 12 K HN 0.284 nan 8.250 nan 0.000 0.444 13 V N 1.450 121.232 119.914 -0.220 0.000 2.591 13 V HA -0.155 3.979 4.120 0.024 0.000 0.249 13 V C 1.788 177.834 176.094 -0.079 0.000 1.053 13 V CA 1.468 63.652 62.300 -0.193 0.000 1.068 13 V CB -0.329 31.166 31.823 -0.547 0.000 0.689 13 V HN 0.297 nan 8.190 nan 0.000 0.462 14 E N 0.895 121.055 120.200 -0.066 0.000 2.118 14 E HA -0.181 4.183 4.350 0.024 0.000 0.195 14 E C 2.207 178.815 176.600 0.014 0.000 0.992 14 E CA 1.316 57.711 56.400 -0.009 0.000 0.804 14 E CB -0.438 29.266 29.700 0.006 0.000 0.741 14 E HN 0.631 nan 8.360 nan 0.000 0.458 15 G N -0.127 108.672 108.800 -0.001 0.000 2.708 15 G HA2 -0.178 3.797 3.960 0.024 0.000 0.210 15 G HA3 -0.178 3.797 3.960 0.024 0.000 0.210 15 G C 1.135 176.042 174.900 0.012 0.000 1.141 15 G CA 0.407 45.510 45.100 0.006 0.000 0.788 15 G HN 0.282 nan 8.290 nan 0.000 0.531 16 C N 0.265 119.578 119.300 0.023 0.000 3.183 16 C HA 0.438 4.912 4.460 0.024 0.000 0.285 16 C C 0.535 175.593 174.990 0.115 0.000 1.313 16 C CA -0.823 58.223 59.018 0.046 0.000 1.711 16 C CB -0.578 27.148 27.740 -0.023 0.000 2.135 16 C HN 0.241 nan 8.230 nan 0.000 0.651 17 M N 2.514 122.165 119.600 0.085 0.000 2.185 17 M HA 0.449 4.943 4.480 0.024 0.000 0.357 17 M C -0.108 176.243 176.300 0.085 0.000 1.260 17 M CA 0.236 55.573 55.300 0.062 0.000 1.124 17 M CB 0.374 32.994 32.600 0.033 0.000 1.600 17 M HN 0.206 nan 8.290 nan 0.000 0.467 18 V N 1.161 121.099 119.914 0.041 0.000 3.160 18 V HA 0.650 4.784 4.120 0.024 0.000 0.310 18 V C -0.838 175.232 176.094 -0.040 0.000 1.181 18 V CA -1.056 61.239 62.300 -0.008 0.000 1.047 18 V CB 2.112 33.883 31.823 -0.086 0.000 1.068 18 V HN 0.850 nan 8.190 nan 0.000 0.441 19 Q N 0.660 120.429 119.800 -0.052 0.000 2.245 19 Q HA 0.747 5.101 4.340 0.024 0.000 0.256 19 Q C -1.757 174.205 176.000 -0.064 0.000 0.942 19 Q CA -0.653 55.123 55.803 -0.045 0.000 0.896 19 Q CB 2.132 30.857 28.738 -0.021 0.000 1.272 19 Q HN 0.792 nan 8.270 nan 0.000 0.442 20 V N 3.158 123.039 119.914 -0.055 0.000 2.483 20 V HA 0.423 4.557 4.120 0.024 0.000 0.297 20 V C -0.684 175.402 176.094 -0.014 0.000 1.027 20 V CA -0.598 61.676 62.300 -0.043 0.000 0.855 20 V CB 1.915 33.702 31.823 -0.060 0.000 0.995 20 V HN 0.864 nan 8.190 nan 0.000 0.424 21 T N 3.073 117.629 114.554 0.004 0.000 2.856 21 T HA 0.536 4.901 4.350 0.024 0.000 0.283 21 T C -0.833 173.863 174.700 -0.006 0.000 1.008 21 T CA -0.451 61.649 62.100 -0.001 0.000 0.997 21 T CB 1.661 70.523 68.868 -0.010 0.000 0.992 21 T HN 0.710 nan 8.240 nan 0.000 0.454 22 C N 2.873 122.150 119.300 -0.039 0.000 2.505 22 C HA 0.724 5.198 4.460 0.024 0.000 0.342 22 C C 1.319 176.251 174.990 -0.097 0.000 1.121 22 C CA 0.884 59.826 59.018 -0.126 0.000 1.306 22 C CB -0.426 27.215 27.740 -0.165 0.000 1.897 22 C HN 1.277 nan 8.230 nan 0.000 0.446 23 G N 5.153 113.888 108.800 -0.108 0.000 2.602 23 G HA2 -0.328 3.646 3.960 0.024 0.000 0.310 23 G HA3 -0.328 3.646 3.960 0.024 0.000 0.310 23 G C 0.889 175.763 174.900 -0.042 0.000 1.183 23 G CA 1.475 46.531 45.100 -0.073 0.000 0.979 23 G HN 1.574 nan 8.290 nan 0.000 0.545 24 T N -1.883 112.655 114.554 -0.026 0.000 3.054 24 T HA 0.473 4.837 4.350 0.024 0.000 0.255 24 T C 0.773 175.476 174.700 0.004 0.000 1.035 24 T CA 1.248 63.343 62.100 -0.010 0.000 0.941 24 T CB 0.391 69.256 68.868 -0.004 0.000 1.026 24 T HN 0.755 nan 8.240 nan 0.000 0.533 25 T N 3.788 118.343 114.554 0.003 0.000 2.806 25 T HA 0.567 4.931 4.350 0.024 0.000 0.290 25 T C 0.060 174.765 174.700 0.008 0.000 0.966 25 T CA -0.537 61.575 62.100 0.019 0.000 1.060 25 T CB 1.356 70.243 68.868 0.033 0.000 0.927 25 T HN 0.514 nan 8.240 nan 0.000 0.485 26 T N 1.195 115.758 114.554 0.015 0.000 2.916 26 T HA 0.869 5.233 4.350 0.024 0.000 0.292 26 T C -0.864 173.829 174.700 -0.011 0.000 1.064 26 T CA -1.020 61.081 62.100 0.001 0.000 1.011 26 T CB 1.437 70.314 68.868 0.014 0.000 1.152 26 T HN 0.563 nan 8.240 nan 0.000 0.510 27 L N -2.057 119.141 121.223 -0.041 0.000 3.133 27 L HA 0.640 4.994 4.340 0.024 0.000 0.289 27 L C -1.536 175.282 176.870 -0.087 0.000 1.012 27 L CA -1.205 53.590 54.840 -0.075 0.000 1.001 27 L CB 0.382 42.343 42.059 -0.162 0.000 1.580 27 L HN 0.630 nan 8.230 nan 0.000 0.373 28 N N -0.523 118.108 118.700 -0.114 0.000 2.489 28 N HA 0.772 5.526 4.740 0.024 0.000 0.284 28 N C -0.586 174.852 175.510 -0.120 0.000 1.158 28 N CA 0.090 53.080 53.050 -0.100 0.000 0.965 28 N CB 1.947 40.377 38.487 -0.094 0.000 1.195 28 N HN 1.015 nan 8.380 nan 0.000 0.506 29 G N -0.250 108.496 108.800 -0.090 0.000 2.605 29 G HA2 0.544 4.518 3.960 0.024 0.000 0.296 29 G HA3 0.544 4.518 3.960 0.024 0.000 0.296 29 G C -1.619 173.254 174.900 -0.046 0.000 1.304 29 G CA -0.372 44.676 45.100 -0.086 0.000 0.941 29 G HN 0.338 nan 8.290 nan 0.000 0.475 30 L N 0.871 122.079 121.223 -0.025 0.000 2.298 30 L HA 0.640 4.995 4.340 0.024 0.000 0.284 30 L C -1.348 175.616 176.870 0.157 0.000 1.013 30 L CA -1.068 53.754 54.840 -0.031 0.000 0.824 30 L CB 1.181 43.092 42.059 -0.246 0.000 1.221 30 L HN 0.567 nan 8.230 nan 0.000 0.418 31 W N 7.989 129.244 121.300 -0.075 0.000 2.317 31 W HA 0.557 5.224 4.660 0.011 0.000 0.327 31 W C -1.711 174.781 176.519 -0.045 0.000 1.036 31 W CA -1.236 56.082 57.345 -0.045 0.000 1.419 31 W CB 0.427 29.857 29.460 -0.050 0.000 1.253 31 W HN 0.345 nan 8.180 nan 0.000 0.392 32 L N 7.809 129.090 121.223 0.097 0.000 2.341 32 L HA 0.303 4.657 4.340 0.024 0.000 0.278 32 L C 0.619 177.469 176.870 -0.034 0.000 1.005 32 L CA -0.847 53.932 54.840 -0.102 0.000 0.818 32 L CB 1.658 43.605 42.059 -0.186 0.000 1.259 32 L HN 0.409 nan 8.230 nan 0.000 0.418 33 D N 1.996 122.321 120.400 -0.126 0.000 3.608 33 D HA -0.307 4.347 4.640 0.024 0.000 0.152 33 D C 0.318 176.619 176.300 0.002 0.000 0.971 33 D CA 2.232 56.202 54.000 -0.051 0.000 1.072 33 D CB -0.303 40.530 40.800 0.054 0.000 0.507 33 D HN 0.987 nan 8.370 nan 0.000 0.520 34 D N -0.204 120.258 120.400 0.102 0.000 2.525 34 D HA 0.294 4.948 4.640 0.024 0.000 0.229 34 D C -0.425 175.963 176.300 0.148 0.000 1.202 34 D CA -0.188 53.927 54.000 0.193 0.000 0.828 34 D CB 0.380 41.244 40.800 0.108 0.000 1.008 34 D HN 0.112 nan 8.370 nan 0.000 0.493 35 T N -0.321 114.316 114.554 0.138 0.000 2.863 35 T HA 0.505 4.870 4.350 0.024 0.000 0.285 35 T C -0.716 173.972 174.700 -0.021 0.000 1.009 35 T CA -0.725 61.329 62.100 -0.075 0.000 0.989 35 T CB 2.393 71.072 68.868 -0.314 0.000 1.004 35 T HN -0.142 nan 8.240 nan 0.000 0.455 36 V N 3.611 123.402 119.914 -0.204 0.000 2.378 36 V HA 0.405 4.539 4.120 0.024 0.000 0.288 36 V C -1.236 174.698 176.094 -0.267 0.000 1.016 36 V CA -0.862 61.364 62.300 -0.124 0.000 0.840 36 V CB 0.518 32.227 31.823 -0.190 0.000 0.994 36 V HN 0.821 nan 8.190 nan 0.000 0.431 37 Y N 4.036 124.268 120.300 -0.113 0.000 2.323 37 Y HA 0.669 5.232 4.550 0.021 0.000 0.331 37 Y C 0.583 176.360 175.900 -0.205 0.000 1.092 37 Y CA -0.534 57.468 58.100 -0.164 0.000 1.150 37 Y CB 1.588 39.933 38.460 -0.192 0.000 1.200 37 Y HN 0.826 nan 8.280 nan 0.000 0.472 38 C N 1.271 120.518 119.300 -0.089 0.000 3.311 38 C HA 0.600 5.074 4.460 0.024 0.000 0.325 38 C C -3.127 171.723 174.990 -0.233 0.000 1.352 38 C CA -2.730 56.180 59.018 -0.180 0.000 1.308 38 C CB 1.594 29.227 27.740 -0.179 0.000 1.619 38 C HN 0.504 nan 8.230 nan 0.000 0.469 39 P HA 0.229 nan 4.420 nan 0.000 0.267 39 P C 0.721 177.871 177.300 -0.249 0.000 1.205 39 P CA 0.109 62.927 63.100 -0.470 0.000 0.765 39 P CB 0.464 31.657 31.700 -0.845 0.000 0.828 40 R N 4.227 124.672 120.500 -0.092 0.000 2.237 40 R HA -0.147 4.207 4.340 0.024 0.000 0.219 40 R C 1.540 177.925 176.300 0.141 0.000 1.080 40 R CA 1.172 57.255 56.100 -0.029 0.000 0.995 40 R CB -0.890 29.320 30.300 -0.149 0.000 0.875 40 R HN 0.609 nan 8.270 nan 0.000 0.462 41 H N 0.162 119.317 119.070 0.143 0.000 2.562 41 H HA 0.034 4.605 4.556 0.025 0.000 0.272 41 H C 1.359 176.776 175.328 0.148 0.000 1.019 41 H CA 0.669 56.873 56.048 0.259 0.000 1.160 41 H CB 0.111 30.016 29.762 0.238 0.000 1.334 41 H HN 0.174 nan 8.280 nan 0.000 0.611 42 V N 2.079 121.969 119.914 -0.040 0.000 3.217 42 V HA -0.129 4.005 4.120 0.024 0.000 0.264 42 V C 1.845 177.983 176.094 0.074 0.000 1.135 42 V CA 0.846 63.132 62.300 -0.024 0.000 1.142 42 V CB -0.605 31.186 31.823 -0.053 0.000 0.754 42 V HN 0.497 nan 8.190 nan 0.000 0.484 43 I N -1.792 118.865 120.570 0.145 0.000 3.684 43 I HA 0.265 4.449 4.170 0.024 0.000 0.304 43 I C 0.714 176.869 176.117 0.063 0.000 1.278 43 I CA -0.387 60.970 61.300 0.095 0.000 1.272 43 I CB -1.443 36.657 38.000 0.168 0.000 1.029 43 I HN 0.101 nan 8.210 nan 0.000 0.458 44 C N 1.228 120.589 119.300 0.103 0.000 2.397 44 C HA 0.771 5.245 4.460 0.024 0.000 0.343 44 C C 1.012 176.031 174.990 0.049 0.000 1.188 44 C CA -0.239 58.815 59.018 0.060 0.000 1.992 44 C CB 1.338 29.131 27.740 0.088 0.000 2.358 44 C HN 0.617 nan 8.230 nan 0.000 0.518 45 T N -0.728 113.835 114.554 0.015 0.000 2.943 45 T HA 0.545 4.909 4.350 0.024 0.000 0.284 45 T C 1.024 175.734 174.700 0.016 0.000 1.015 45 T CA 0.058 62.166 62.100 0.013 0.000 1.042 45 T CB 1.372 70.237 68.868 -0.005 0.000 1.055 45 T HN 0.837 nan 8.240 nan 0.000 0.500 46 A N 1.179 124.010 122.820 0.020 0.000 1.917 46 A HA -0.178 4.156 4.320 0.024 0.000 0.219 46 A C 2.100 179.684 177.584 0.000 0.000 1.182 46 A CA 2.060 54.107 52.037 0.016 0.000 0.633 46 A CB -1.141 17.869 19.000 0.018 0.000 0.819 46 A HN 1.025 nan 8.150 nan 0.000 0.448 47 E N -0.430 119.767 120.200 -0.006 0.000 2.347 47 E HA -0.143 4.221 4.350 0.024 0.000 0.196 47 E C 0.745 177.330 176.600 -0.025 0.000 1.008 47 E CA 0.948 57.340 56.400 -0.014 0.000 0.852 47 E CB -0.275 29.417 29.700 -0.013 0.000 0.783 47 E HN 0.513 nan 8.360 nan 0.000 0.505 48 D N 0.873 121.254 120.400 -0.032 0.000 2.183 48 D HA -0.069 4.585 4.640 0.024 0.000 0.203 48 D C 1.693 177.950 176.300 -0.071 0.000 0.969 48 D CA 0.715 54.679 54.000 -0.060 0.000 0.842 48 D CB -0.072 40.683 40.800 -0.075 0.000 0.957 48 D HN 0.166 nan 8.370 nan 0.000 0.484 49 M N 0.336 119.912 119.600 -0.041 0.000 2.337 49 M HA -0.107 4.388 4.480 0.024 0.000 0.261 49 M C 2.090 178.372 176.300 -0.031 0.000 1.067 49 M CA 0.688 55.968 55.300 -0.032 0.000 1.074 49 M CB -0.968 31.618 32.600 -0.023 0.000 1.395 49 M HN 0.063 nan 8.290 nan 0.000 0.431 50 L N -0.569 120.635 121.223 -0.032 0.000 2.017 50 L HA -0.162 4.192 4.340 0.024 0.000 0.208 50 L C 0.977 177.831 176.870 -0.027 0.000 1.073 50 L CA 1.252 56.077 54.840 -0.024 0.000 0.745 50 L CB -0.352 41.695 42.059 -0.021 0.000 0.894 50 L HN 0.349 nan 8.230 nan 0.000 0.432 51 N N -0.809 117.865 118.700 -0.044 0.000 2.697 51 N HA 0.174 4.928 4.740 0.024 0.000 0.253 51 N C -2.610 172.848 175.510 -0.087 0.000 1.604 51 N CA -1.176 51.847 53.050 -0.045 0.000 0.772 51 N CB 0.663 39.132 38.487 -0.030 0.000 1.267 51 N HN -0.095 nan 8.380 nan 0.000 0.510 52 P HA 0.138 nan 4.420 nan 0.000 0.271 52 P C -0.948 176.183 177.300 -0.281 0.000 1.218 52 P CA -0.114 62.795 63.100 -0.319 0.000 0.780 52 P CB 0.837 32.158 31.700 -0.632 0.000 0.901 53 N N 2.221 120.778 118.700 -0.238 0.000 2.706 53 N HA 0.086 4.840 4.740 0.024 0.000 0.240 53 N C 0.603 176.058 175.510 -0.092 0.000 1.039 53 N CA -0.429 52.565 53.050 -0.092 0.000 0.888 53 N CB 0.154 38.618 38.487 -0.038 0.000 1.128 53 N HN 0.249 nan 8.380 nan 0.000 0.512 54 Y N 1.631 121.959 120.300 0.046 0.000 2.165 54 Y HA -0.201 4.363 4.550 0.024 0.000 0.286 54 Y C 2.108 178.043 175.900 0.059 0.000 1.155 54 Y CA 1.454 59.589 58.100 0.060 0.000 1.164 54 Y CB 0.264 38.767 38.460 0.072 0.000 0.978 54 Y HN 0.506 nan 8.280 nan 0.000 0.513 55 E N 0.277 120.600 120.200 0.206 0.000 2.023 55 E HA -0.228 4.136 4.350 0.024 0.000 0.196 55 E C 1.569 178.228 176.600 0.099 0.000 1.003 55 E CA 1.645 58.126 56.400 0.134 0.000 0.809 55 E CB -0.554 29.204 29.700 0.097 0.000 0.755 55 E HN 0.547 nan 8.360 nan 0.000 0.449 56 D N 1.281 121.720 120.400 0.065 0.000 2.117 56 D HA -0.106 4.548 4.640 0.024 0.000 0.197 56 D C 2.333 178.657 176.300 0.039 0.000 0.987 56 D CA 0.590 54.614 54.000 0.040 0.000 0.829 56 D CB -0.437 40.373 40.800 0.017 0.000 0.961 56 D HN 0.110 nan 8.370 nan 0.000 0.460 57 L N 0.164 121.404 121.223 0.030 0.000 2.013 57 L HA -0.217 4.137 4.340 0.024 0.000 0.212 57 L C 2.463 179.371 176.870 0.063 0.000 1.073 57 L CA 0.807 55.658 54.840 0.018 0.000 0.753 57 L CB -0.285 41.758 42.059 -0.027 0.000 0.890 57 L HN 0.094 nan 8.230 nan 0.000 0.432 58 L N -0.582 120.718 121.223 0.128 0.000 2.109 58 L HA -0.153 4.201 4.340 0.024 0.000 0.207 58 L C 2.302 179.264 176.870 0.153 0.000 1.086 58 L CA 1.424 56.368 54.840 0.173 0.000 0.760 58 L CB -0.404 41.795 42.059 0.234 0.000 0.910 58 L HN 0.086 nan 8.230 nan 0.000 0.437 59 I N 0.072 120.712 120.570 0.117 0.000 2.315 59 I HA -0.301 3.884 4.170 0.024 0.000 0.251 59 I C 2.297 178.462 176.117 0.079 0.000 1.125 59 I CA 1.372 62.731 61.300 0.098 0.000 1.392 59 I CB -0.988 37.050 38.000 0.064 0.000 1.065 59 I HN 0.386 nan 8.210 nan 0.000 0.424 60 R N 0.354 120.884 120.500 0.049 0.000 2.323 60 R HA -0.003 4.351 4.340 0.024 0.000 0.198 60 R C 0.394 176.690 176.300 -0.007 0.000 0.988 60 R CA 0.268 56.377 56.100 0.015 0.000 1.041 60 R CB 0.098 30.393 30.300 -0.008 0.000 0.926 60 R HN 0.214 nan 8.270 nan 0.000 0.476 61 K N 0.964 121.370 120.400 0.010 0.000 2.123 61 K HA 0.257 4.591 4.320 0.024 0.000 0.248 61 K C 0.098 176.699 176.600 0.002 0.000 0.969 61 K CA -0.344 55.895 56.287 -0.081 0.000 0.882 61 K CB 1.915 34.292 32.500 -0.205 0.000 1.080 61 K HN -0.042 nan 8.250 nan 0.000 0.441 62 S N 0.317 115.976 115.700 -0.069 0.000 2.566 62 S HA 0.259 4.743 4.470 0.024 0.000 0.298 62 S C 0.602 175.203 174.600 0.001 0.000 1.083 62 S CA -0.671 57.558 58.200 0.048 0.000 0.978 62 S CB 1.241 64.478 63.200 0.062 0.000 1.073 62 S HN 0.433 nan 8.310 nan 0.000 0.491 63 N N 1.540 120.303 118.700 0.105 0.000 2.133 63 N HA -0.172 4.582 4.740 0.024 0.000 0.193 63 N C 1.150 176.646 175.510 -0.024 0.000 1.012 63 N CA 1.633 54.718 53.050 0.058 0.000 0.871 63 N CB -0.723 37.782 38.487 0.030 0.000 1.011 63 N HN 0.692 nan 8.380 nan 0.000 0.435 64 H N -0.090 118.997 119.070 0.028 0.000 2.555 64 H HA 0.138 4.707 4.556 0.023 0.000 0.269 64 H C 1.560 176.844 175.328 -0.073 0.000 0.988 64 H CA 0.741 56.783 56.048 -0.010 0.000 1.178 64 H CB 0.171 29.925 29.762 -0.014 0.000 1.373 64 H HN 0.300 nan 8.280 nan 0.000 0.588 65 S N -0.266 115.386 115.700 -0.079 0.000 2.461 65 S HA -0.043 4.441 4.470 0.024 0.000 0.228 65 S C 0.533 174.918 174.600 -0.358 0.000 1.005 65 S CA 0.127 58.165 58.200 -0.270 0.000 0.942 65 S CB -0.281 62.644 63.200 -0.459 0.000 0.776 65 S HN 0.035 nan 8.310 nan 0.000 0.514 66 F N 1.744 121.627 119.950 -0.110 0.000 2.411 66 F HA 0.551 5.092 4.527 0.023 0.000 0.350 66 F C -0.070 175.673 175.800 -0.096 0.000 1.114 66 F CA -1.116 56.811 58.000 -0.122 0.000 1.135 66 F CB 0.911 39.806 39.000 -0.175 0.000 1.120 66 F HN 0.047 nan 8.300 nan 0.000 0.495 67 L N 5.031 126.305 121.223 0.085 0.000 2.294 67 L HA 0.663 5.017 4.340 0.024 0.000 0.283 67 L C -1.312 175.548 176.870 -0.017 0.000 1.015 67 L CA -0.572 54.282 54.840 0.023 0.000 0.831 67 L CB 0.927 42.990 42.059 0.007 0.000 1.217 67 L HN 0.344 nan 8.230 nan 0.000 0.420 68 V N 4.813 124.684 119.914 -0.071 0.000 2.417 68 V HA 0.419 4.554 4.120 0.024 0.000 0.291 68 V C -0.346 175.650 176.094 -0.164 0.000 1.024 68 V CA -0.498 61.717 62.300 -0.141 0.000 0.861 68 V CB 1.569 33.252 31.823 -0.234 0.000 0.985 68 V HN 0.741 nan 8.190 nan 0.000 0.436 69 Q N 2.892 122.605 119.800 -0.144 0.000 2.325 69 Q HA 0.737 5.092 4.340 0.024 0.000 0.270 69 Q C -0.796 175.124 176.000 -0.133 0.000 1.020 69 Q CA -0.660 55.069 55.803 -0.125 0.000 0.785 69 Q CB 1.964 30.665 28.738 -0.063 0.000 1.259 69 Q HN 0.905 nan 8.270 nan 0.000 0.452 70 A N 3.222 125.952 122.820 -0.151 0.000 2.267 70 A HA 0.676 5.010 4.320 0.024 0.000 0.315 70 A C 0.783 178.376 177.584 0.015 0.000 1.297 70 A CA 0.387 52.381 52.037 -0.072 0.000 0.865 70 A CB 0.471 19.382 19.000 -0.148 0.000 1.165 70 A HN 1.075 nan 8.150 nan 0.000 0.513 71 G N 2.985 111.809 108.800 0.040 0.000 3.434 71 G HA2 -0.415 3.559 3.960 0.024 0.000 0.343 71 G HA3 -0.415 3.559 3.960 0.024 0.000 0.343 71 G C 0.886 175.798 174.900 0.021 0.000 1.240 71 G CA 1.139 46.265 45.100 0.043 0.000 0.996 71 G HN 0.754 nan 8.290 nan 0.000 0.650 72 N N -0.428 118.284 118.700 0.019 0.000 2.430 72 N HA 0.159 4.913 4.740 0.024 0.000 0.235 72 N C 0.835 176.340 175.510 -0.008 0.000 1.108 72 N CA 0.699 53.753 53.050 0.006 0.000 0.834 72 N CB 0.661 39.157 38.487 0.014 0.000 1.430 72 N HN 0.468 nan 8.380 nan 0.000 0.463 73 V N 3.279 123.192 119.914 -0.002 0.000 2.752 73 V HA -0.096 4.038 4.120 0.024 0.000 0.306 73 V C 0.574 176.630 176.094 -0.064 0.000 1.099 73 V CA 0.560 62.850 62.300 -0.017 0.000 1.240 73 V CB 0.356 32.180 31.823 0.003 0.000 0.887 73 V HN 0.192 nan 8.190 nan 0.000 0.499 74 Q N 4.098 123.864 119.800 -0.057 0.000 2.303 74 Q HA 0.502 4.856 4.340 0.024 0.000 0.257 74 Q C -0.495 175.438 176.000 -0.111 0.000 0.941 74 Q CA -0.218 55.538 55.803 -0.077 0.000 0.931 74 Q CB 1.570 30.287 28.738 -0.036 0.000 1.215 74 Q HN 0.596 nan 8.270 nan 0.000 0.437 75 L N 2.495 123.602 121.223 -0.193 0.000 2.399 75 L HA 0.465 4.819 4.340 0.024 0.000 0.266 75 L C 0.581 177.360 176.870 -0.151 0.000 1.114 75 L CA -0.733 53.970 54.840 -0.229 0.000 0.804 75 L CB 0.642 42.434 42.059 -0.445 0.000 1.146 75 L HN 0.221 nan 8.230 nan 0.000 0.451 76 R N 1.765 122.193 120.500 -0.119 0.000 2.288 76 R HA 0.355 4.709 4.340 0.024 0.000 0.326 76 R C -0.969 175.249 176.300 -0.136 0.000 0.959 76 R CA -0.753 55.283 56.100 -0.107 0.000 0.834 76 R CB 1.392 31.655 30.300 -0.061 0.000 1.157 76 R HN 0.305 nan 8.270 nan 0.000 0.470 77 V N 5.524 125.342 119.914 -0.161 0.000 2.529 77 V HA 0.032 4.166 4.120 0.024 0.000 0.292 77 V C 1.718 177.735 176.094 -0.128 0.000 1.028 77 V CA 0.385 62.599 62.300 -0.144 0.000 1.074 77 V CB 0.444 32.191 31.823 -0.126 0.000 0.958 77 V HN 0.760 nan 8.190 nan 0.000 0.481 78 I N 1.822 122.343 120.570 -0.081 0.000 4.050 78 I HA 0.716 4.900 4.170 0.024 0.000 0.327 78 I C 0.441 176.546 176.117 -0.019 0.000 1.473 78 I CA 0.018 61.288 61.300 -0.051 0.000 1.124 78 I CB 0.652 38.627 38.000 -0.043 0.000 1.129 78 I HN 0.650 nan 8.210 nan 0.000 0.428 79 G N 1.675 110.475 108.800 0.000 0.000 2.519 79 G HA2 0.515 4.489 3.960 0.024 0.000 0.292 79 G HA3 0.515 4.489 3.960 0.024 0.000 0.292 79 G C -1.759 173.157 174.900 0.027 0.000 1.507 79 G CA -0.440 44.654 45.100 -0.010 0.000 0.806 79 G HN 0.538 nan 8.290 nan 0.000 0.523 80 H N -1.737 117.260 119.070 -0.121 0.000 3.094 80 H HA 0.827 5.397 4.556 0.023 0.000 0.346 80 H C -0.767 174.492 175.328 -0.114 0.000 1.238 80 H CA -0.382 55.558 56.048 -0.181 0.000 1.209 80 H CB 1.408 31.017 29.762 -0.254 0.000 1.911 80 H HN 1.409 nan 8.280 nan 0.000 0.540 81 S N 2.093 117.762 115.700 -0.050 0.000 2.636 81 S HA 0.547 5.031 4.470 0.024 0.000 0.268 81 S C -0.994 173.589 174.600 -0.027 0.000 1.159 81 S CA -1.104 57.067 58.200 -0.049 0.000 0.815 81 S CB 2.545 65.699 63.200 -0.076 0.000 1.130 81 S HN 0.793 nan 8.310 nan 0.000 0.471 82 M N 1.776 121.371 119.600 -0.008 0.000 2.253 82 M HA 0.488 4.983 4.480 0.024 0.000 0.314 82 M C -1.366 174.923 176.300 -0.018 0.000 1.019 82 M CA -0.232 55.062 55.300 -0.011 0.000 0.932 82 M CB 1.822 34.435 32.600 0.022 0.000 1.606 82 M HN 0.871 nan 8.290 nan 0.000 0.430 83 Q N 5.298 125.082 119.800 -0.027 0.000 2.381 83 Q HA 0.333 4.687 4.340 0.024 0.000 0.263 83 Q C -0.401 175.577 176.000 -0.037 0.000 1.030 83 Q CA -0.402 55.391 55.803 -0.018 0.000 0.772 83 Q CB 0.755 29.498 28.738 0.008 0.000 1.232 83 Q HN 1.038 nan 8.270 nan 0.000 0.476 84 N N 1.600 120.278 118.700 -0.037 0.000 1.188 84 N HA -0.286 4.469 4.740 0.024 0.000 0.128 84 N C -0.022 175.442 175.510 -0.078 0.000 0.759 84 N CA 1.708 54.728 53.050 -0.050 0.000 0.905 84 N CB -1.193 37.256 38.487 -0.062 0.000 1.156 84 N HN 0.723 nan 8.380 nan 0.000 0.553 85 C N 1.815 121.059 119.300 -0.093 0.000 2.454 85 C HA 0.450 4.924 4.460 0.024 0.000 0.321 85 C C 0.818 175.773 174.990 -0.059 0.000 1.299 85 C CA -0.293 58.666 59.018 -0.098 0.000 1.683 85 C CB -2.006 25.701 27.740 -0.055 0.000 1.772 85 C HN 0.150 nan 8.230 nan 0.000 0.596 86 L N -0.291 120.886 121.223 -0.077 0.000 2.327 86 L HA 0.631 4.985 4.340 0.024 0.000 0.258 86 L C -0.567 176.258 176.870 -0.075 0.000 1.024 86 L CA -0.709 54.091 54.840 -0.068 0.000 0.825 86 L CB 1.510 43.534 42.059 -0.058 0.000 1.386 86 L HN -0.072 nan 8.230 nan 0.000 0.417 87 L N 1.329 122.492 121.223 -0.100 0.000 2.334 87 L HA 0.570 4.924 4.340 0.024 0.000 0.276 87 L C -0.493 176.264 176.870 -0.190 0.000 1.014 87 L CA -0.667 54.089 54.840 -0.139 0.000 0.815 87 L CB 1.813 43.754 42.059 -0.196 0.000 1.268 87 L HN 0.507 nan 8.230 nan 0.000 0.428 88 R N 4.106 124.473 120.500 -0.222 0.000 2.288 88 R HA 0.574 4.928 4.340 0.024 0.000 0.326 88 R C -1.301 174.802 176.300 -0.330 0.000 0.959 88 R CA -0.605 55.287 56.100 -0.348 0.000 0.834 88 R CB 1.379 31.510 30.300 -0.282 0.000 1.157 88 R HN 0.478 nan 8.270 nan 0.000 0.470 89 L N 3.625 124.622 121.223 -0.376 0.000 2.287 89 L HA 0.402 4.756 4.340 0.024 0.000 0.287 89 L C 0.181 176.904 176.870 -0.244 0.000 1.022 89 L CA -0.964 53.680 54.840 -0.327 0.000 0.814 89 L CB 1.288 43.104 42.059 -0.406 0.000 1.217 89 L HN 0.251 nan 8.230 nan 0.000 0.420 90 K N 3.772 124.069 120.400 -0.172 0.000 2.339 90 K HA 0.368 4.702 4.320 0.024 0.000 0.286 90 K C -0.292 176.251 176.600 -0.096 0.000 1.050 90 K CA -0.154 56.066 56.287 -0.111 0.000 0.956 90 K CB 1.773 34.225 32.500 -0.079 0.000 0.990 90 K HN 0.464 nan 8.250 nan 0.000 0.475 91 V N -0.719 119.159 119.914 -0.059 0.000 3.019 91 V HA 0.269 4.403 4.120 0.024 0.000 0.317 91 V C 1.092 177.186 176.094 0.000 0.000 1.094 91 V CA -0.796 61.465 62.300 -0.064 0.000 1.000 91 V CB 1.567 33.305 31.823 -0.141 0.000 1.060 91 V HN 0.682 nan 8.190 nan 0.000 0.443 92 D N 0.717 121.112 120.400 -0.009 0.000 2.097 92 D HA -0.075 4.579 4.640 0.024 0.000 0.197 92 D C 0.849 177.192 176.300 0.072 0.000 0.984 92 D CA 1.359 55.371 54.000 0.021 0.000 0.826 92 D CB -0.760 40.044 40.800 0.006 0.000 0.973 92 D HN 0.621 nan 8.370 nan 0.000 0.460 93 T N 0.502 115.126 114.554 0.118 0.000 2.780 93 T HA 0.326 4.691 4.350 0.024 0.000 0.294 93 T C -0.157 174.773 174.700 0.383 0.000 0.949 93 T CA -0.499 61.734 62.100 0.223 0.000 1.074 93 T CB 1.327 70.347 68.868 0.254 0.000 0.910 93 T HN 0.017 nan 8.240 nan 0.000 0.501 94 S N 3.141 118.972 115.700 0.219 0.000 2.513 94 S HA 0.164 4.649 4.470 0.024 0.000 0.276 94 S C 0.464 175.002 174.600 -0.103 0.000 1.254 94 S CA -0.803 57.463 58.200 0.110 0.000 1.053 94 S CB 0.080 63.294 63.200 0.024 0.000 0.958 94 S HN 0.659 nan 8.310 nan 0.000 0.491 95 N N 5.598 123.933 118.700 -0.608 0.000 2.418 95 N HA 0.058 4.812 4.740 0.024 0.000 0.277 95 N C -1.225 173.955 175.510 -0.551 0.000 1.317 95 N CA -1.598 50.708 53.050 -1.241 0.000 0.922 95 N CB 0.940 38.359 38.487 -1.780 0.000 1.194 95 N HN 0.403 nan 8.380 nan 0.000 0.485 96 P HA -0.125 nan 4.420 nan 0.000 0.222 96 P C 0.030 177.224 177.300 -0.177 0.000 1.147 96 P CA 1.252 64.241 63.100 -0.185 0.000 0.790 96 P CB 0.307 31.948 31.700 -0.098 0.000 0.780 97 K N -0.485 119.770 120.400 -0.242 0.000 2.437 97 K HA 0.125 4.459 4.320 0.024 0.000 0.198 97 K C 0.301 176.806 176.600 -0.158 0.000 1.024 97 K CA -0.009 56.178 56.287 -0.166 0.000 1.148 97 K CB -0.233 32.185 32.500 -0.136 0.000 0.860 97 K HN 0.049 nan 8.250 nan 0.000 0.515 98 T N 4.515 118.952 114.554 -0.196 0.000 2.871 98 T HA 0.036 4.400 4.350 0.024 0.000 0.296 98 T C -1.734 172.959 174.700 -0.012 0.000 0.998 98 T CA -0.668 61.363 62.100 -0.116 0.000 1.162 98 T CB 0.428 69.238 68.868 -0.095 0.000 0.947 98 T HN 0.205 nan 8.240 nan 0.000 0.536 99 P HA 0.397 nan 4.420 nan 0.000 0.287 99 P C -0.602 176.786 177.300 0.148 0.000 1.296 99 P CA -0.971 62.164 63.100 0.059 0.000 0.811 99 P CB 1.168 32.881 31.700 0.022 0.000 1.211 100 K N 0.217 120.656 120.400 0.064 0.000 2.368 100 K HA 0.243 4.577 4.320 0.024 0.000 0.282 100 K C -0.342 176.299 176.600 0.069 0.000 1.035 100 K CA 0.372 56.667 56.287 0.014 0.000 0.973 100 K CB -0.055 32.422 32.500 -0.038 0.000 0.957 100 K HN 0.521 nan 8.250 nan 0.000 0.474 101 Y N -0.678 119.584 120.300 -0.064 0.000 2.638 101 Y HA 0.569 5.134 4.550 0.024 0.000 0.335 101 Y C -1.406 174.449 175.900 -0.075 0.000 1.155 101 Y CA -1.388 56.676 58.100 -0.060 0.000 1.046 101 Y CB 1.373 39.879 38.460 0.076 0.000 1.303 101 Y HN 0.280 nan 8.280 nan 0.000 0.460 102 K N 1.667 122.115 120.400 0.080 0.000 2.469 102 K HA 0.519 4.853 4.320 0.024 0.000 0.254 102 K C -1.983 174.859 176.600 0.404 0.000 0.939 102 K CA -0.701 55.612 56.287 0.043 0.000 0.812 102 K CB 2.560 35.070 32.500 0.017 0.000 1.301 102 K HN 0.696 nan 8.250 nan 0.000 0.433 103 F N 2.757 122.812 119.950 0.176 0.000 2.404 103 F HA 0.400 4.940 4.527 0.020 0.000 0.354 103 F C 0.220 176.068 175.800 0.079 0.000 1.122 103 F CA -1.101 56.991 58.000 0.155 0.000 1.080 103 F CB 1.637 40.688 39.000 0.085 0.000 1.131 103 F HN 0.177 nan 8.300 nan 0.000 0.471 104 V N 2.178 122.246 119.914 0.257 0.000 3.040 104 V HA 0.646 4.780 4.120 0.024 0.000 0.312 104 V C -1.135 175.032 176.094 0.121 0.000 1.115 104 V CA -1.221 61.167 62.300 0.147 0.000 0.998 104 V CB 2.125 34.012 31.823 0.106 0.000 1.042 104 V HN 0.809 nan 8.190 nan 0.000 0.433 105 R N 2.866 123.431 120.500 0.107 0.000 2.239 105 R HA 0.630 4.985 4.340 0.024 0.000 0.332 105 R C -0.612 175.803 176.300 0.193 0.000 0.988 105 R CA -0.557 55.631 56.100 0.148 0.000 0.859 105 R CB 1.075 31.409 30.300 0.055 0.000 1.148 105 R HN 0.973 nan 8.270 nan 0.000 0.482 106 I N 3.307 124.018 120.570 0.235 0.000 2.696 106 I HA 0.045 4.229 4.170 0.024 0.000 0.284 106 I C -0.169 176.054 176.117 0.176 0.000 1.129 106 I CA -0.137 61.234 61.300 0.119 0.000 1.410 106 I CB 0.880 38.851 38.000 -0.048 0.000 1.399 106 I HN 0.618 nan 8.210 nan 0.000 0.579 107 Q N 7.077 126.952 119.800 0.125 0.000 2.214 107 Q HA 0.428 4.782 4.340 0.024 0.000 0.251 107 Q C -2.276 173.790 176.000 0.110 0.000 0.936 107 Q CA -1.972 53.915 55.803 0.141 0.000 0.894 107 Q CB 0.720 29.525 28.738 0.111 0.000 1.252 107 Q HN 0.393 nan 8.270 nan 0.000 0.448 108 P HA 0.004 nan 4.420 nan 0.000 0.267 108 P C 0.661 177.980 177.300 0.032 0.000 1.201 108 P CA 1.077 64.210 63.100 0.055 0.000 0.775 108 P CB 0.363 32.072 31.700 0.015 0.000 0.854 109 G N -0.166 108.636 108.800 0.003 0.000 2.253 109 G HA2 -0.212 3.763 3.960 0.024 0.000 0.251 109 G HA3 -0.212 3.763 3.960 0.024 0.000 0.251 109 G C 0.185 175.085 174.900 0.001 0.000 0.998 109 G CA -0.231 44.864 45.100 -0.009 0.000 0.621 109 G HN 0.554 nan 8.290 nan 0.000 0.524 110 Q N 1.136 120.953 119.800 0.027 0.000 2.221 110 Q HA 0.562 4.917 4.340 0.024 0.000 0.242 110 Q C 0.660 176.694 176.000 0.056 0.000 0.940 110 Q CA 0.567 56.392 55.803 0.037 0.000 0.896 110 Q CB 1.472 30.240 28.738 0.050 0.000 1.226 110 Q HN 0.613 nan 8.270 nan 0.000 0.463 111 T N -1.475 113.096 114.554 0.029 0.000 2.952 111 T HA 0.826 5.190 4.350 0.024 0.000 0.286 111 T C -0.321 174.448 174.700 0.116 0.000 1.024 111 T CA -0.655 61.427 62.100 -0.031 0.000 1.029 111 T CB 0.812 69.596 68.868 -0.140 0.000 1.094 111 T HN 0.501 nan 8.240 nan 0.000 0.515 112 F N -2.169 117.689 119.950 -0.153 0.000 2.719 112 F HA 0.713 5.252 4.527 0.021 0.000 0.309 112 F C -0.983 174.658 175.800 -0.265 0.000 1.138 112 F CA -1.238 56.662 58.000 -0.166 0.000 0.943 112 F CB 0.901 39.819 39.000 -0.136 0.000 1.304 112 F HN 0.572 nan 8.300 nan 0.000 0.445 113 S N 1.200 116.737 115.700 -0.273 0.000 2.554 113 S HA 0.720 5.204 4.470 0.024 0.000 0.278 113 S C -0.739 173.598 174.600 -0.438 0.000 1.242 113 S CA -0.663 57.213 58.200 -0.540 0.000 1.051 113 S CB 1.660 64.373 63.200 -0.811 0.000 0.986 113 S HN 0.547 nan 8.310 nan 0.000 0.502 114 V N 3.631 123.290 119.914 -0.426 0.000 2.495 114 V HA 0.420 4.554 4.120 0.024 0.000 0.298 114 V C -0.698 175.265 176.094 -0.218 0.000 1.031 114 V CA -0.706 61.431 62.300 -0.272 0.000 0.871 114 V CB 1.560 32.985 31.823 -0.664 0.000 0.988 114 V HN 0.688 nan 8.190 nan 0.000 0.432 115 L N 5.601 126.916 121.223 0.153 0.000 2.297 115 L HA 0.762 5.116 4.340 0.024 0.000 0.277 115 L C 0.518 177.429 176.870 0.068 0.000 1.040 115 L CA -0.074 54.844 54.840 0.131 0.000 0.867 115 L CB 0.692 42.887 42.059 0.226 0.000 1.244 115 L HN 0.730 nan 8.230 nan 0.000 0.433 116 A N 4.296 127.103 122.820 -0.022 0.000 2.450 116 A HA 0.555 4.889 4.320 0.024 0.000 0.255 116 A C -0.185 177.401 177.584 0.004 0.000 1.096 116 A CA -0.203 51.851 52.037 0.028 0.000 0.778 116 A CB -0.130 18.884 19.000 0.023 0.000 1.031 116 A HN 0.803 nan 8.150 nan 0.000 0.494 117 C N 0.586 119.792 119.300 -0.157 0.000 2.971 117 C HA 0.828 5.302 4.460 0.024 0.000 0.310 117 C C -1.111 173.508 174.990 -0.618 0.000 1.285 117 C CA -0.710 58.197 59.018 -0.186 0.000 1.593 117 C CB 0.950 28.648 27.740 -0.070 0.000 2.076 117 C HN 0.792 nan 8.230 nan 0.000 0.472 118 Y N 0.256 120.604 120.300 0.079 0.000 2.401 118 Y HA 0.331 4.893 4.550 0.021 0.000 0.330 118 Y C 0.364 176.293 175.900 0.048 0.000 1.071 118 Y CA -0.661 57.480 58.100 0.070 0.000 1.049 118 Y CB 0.948 39.450 38.460 0.070 0.000 1.239 118 Y HN 0.930 nan 8.280 nan 0.000 0.437 119 N N 1.176 119.959 118.700 0.138 0.000 2.735 119 N HA -0.204 4.551 4.740 0.024 0.000 0.248 119 N C 0.948 176.488 175.510 0.050 0.000 1.083 119 N CA 0.859 53.960 53.050 0.085 0.000 0.703 119 N CB -0.968 37.579 38.487 0.100 0.000 1.005 119 N HN 1.270 nan 8.380 nan 0.000 0.550 120 G N -0.898 107.916 108.800 0.023 0.000 2.175 120 G HA2 -0.341 3.633 3.960 0.024 0.000 0.265 120 G HA3 -0.341 3.633 3.960 0.024 0.000 0.265 120 G C 0.020 174.941 174.900 0.034 0.000 0.979 120 G CA 0.662 45.769 45.100 0.012 0.000 0.663 120 G HN 1.202 nan 8.290 nan 0.000 0.533 121 S N 0.504 116.239 115.700 0.057 0.000 2.498 121 S HA 0.701 5.185 4.470 0.024 0.000 0.317 121 S C -2.306 172.346 174.600 0.087 0.000 1.090 121 S CA -1.320 56.922 58.200 0.071 0.000 1.089 121 S CB 2.365 65.612 63.200 0.079 0.000 0.997 121 S HN 0.037 nan 8.310 nan 0.000 0.470 122 P HA 0.039 nan 4.420 nan 0.000 0.263 122 P C 0.366 177.734 177.300 0.112 0.000 1.175 122 P CA 0.149 63.296 63.100 0.079 0.000 0.761 122 P CB 0.717 32.455 31.700 0.063 0.000 0.794 123 S N 1.803 117.589 115.700 0.143 0.000 2.613 123 S HA 0.474 4.958 4.470 0.024 0.000 0.235 123 S C 0.707 175.383 174.600 0.127 0.000 1.073 123 S CA 0.378 58.680 58.200 0.171 0.000 0.899 123 S CB 0.131 63.520 63.200 0.314 0.000 0.818 123 S HN 0.615 nan 8.310 nan 0.000 0.484 124 G N 0.264 109.134 108.800 0.116 0.000 2.547 124 G HA2 0.512 4.486 3.960 0.024 0.000 0.291 124 G HA3 0.512 4.486 3.960 0.024 0.000 0.291 124 G C -2.156 172.782 174.900 0.064 0.000 1.471 124 G CA -0.091 45.067 45.100 0.096 0.000 0.798 124 G HN 0.755 nan 8.290 nan 0.000 0.504 125 V N 0.815 120.764 119.914 0.057 0.000 2.876 125 V HA 0.964 5.098 4.120 0.024 0.000 0.312 125 V C -1.279 174.821 176.094 0.010 0.000 1.085 125 V CA -0.773 61.514 62.300 -0.022 0.000 0.945 125 V CB 1.629 33.485 31.823 0.055 0.000 1.017 125 V HN 1.548 nan 8.190 nan 0.000 0.428 126 Y N 2.446 122.683 120.300 -0.106 0.000 2.670 126 Y HA 0.781 5.346 4.550 0.026 0.000 0.334 126 Y C -0.986 174.753 175.900 -0.267 0.000 1.185 126 Y CA -1.331 56.658 58.100 -0.186 0.000 1.053 126 Y CB 1.471 39.804 38.460 -0.212 0.000 1.298 126 Y HN 0.611 nan 8.280 nan 0.000 0.459 127 Q N 1.680 121.445 119.800 -0.058 0.000 2.307 127 Q HA 0.739 5.093 4.340 0.024 0.000 0.262 127 Q C -1.096 174.719 176.000 -0.309 0.000 0.961 127 Q CA -0.284 55.360 55.803 -0.264 0.000 0.882 127 Q CB 1.236 29.784 28.738 -0.318 0.000 1.264 127 Q HN 0.984 nan 8.270 nan 0.000 0.446 128 C N 0.902 119.881 119.300 -0.535 0.000 3.285 128 C HA 1.060 5.534 4.460 0.024 0.000 0.320 128 C C -0.501 174.065 174.990 -0.707 0.000 1.411 128 C CA -0.879 57.799 59.018 -0.567 0.000 1.429 128 C CB 0.920 28.386 27.740 -0.456 0.000 1.812 128 C HN 0.942 nan 8.230 nan 0.000 0.454 129 A N 0.731 123.277 122.820 -0.457 0.000 2.355 129 A HA 0.783 5.117 4.320 0.024 0.000 0.324 129 A C -0.497 177.022 177.584 -0.108 0.000 1.117 129 A CA -0.384 51.499 52.037 -0.257 0.000 0.785 129 A CB 1.103 19.998 19.000 -0.175 0.000 1.254 129 A HN 1.270 nan 8.150 nan 0.000 0.453 130 M N 2.913 122.564 119.600 0.086 0.000 2.194 130 M HA 0.259 4.754 4.480 0.024 0.000 0.347 130 M C 0.259 176.562 176.300 0.005 0.000 1.439 130 M CA 0.085 55.440 55.300 0.091 0.000 1.131 130 M CB -0.129 32.500 32.600 0.048 0.000 1.733 130 M HN 0.615 nan 8.290 nan 0.000 0.467 131 R N 5.776 126.270 120.500 -0.010 0.000 2.594 131 R HA 0.176 4.531 4.340 0.024 0.000 0.272 131 R C -1.804 174.433 176.300 -0.106 0.000 1.074 131 R CA -1.313 54.759 56.100 -0.046 0.000 1.105 131 R CB -0.186 30.100 30.300 -0.024 0.000 1.008 131 R HN 0.508 nan 8.270 nan 0.000 0.472 132 P HA -0.175 nan 4.420 nan 0.000 0.217 132 P C 0.484 177.567 177.300 -0.363 0.000 1.151 132 P CA 1.465 64.454 63.100 -0.184 0.000 0.849 132 P CB 0.124 31.767 31.700 -0.095 0.000 0.787 133 N N -2.263 116.312 118.700 -0.208 0.000 2.370 133 N HA -0.100 4.655 4.740 0.024 0.000 0.198 133 N C -0.008 175.513 175.510 0.018 0.000 1.156 133 N CA 0.011 52.989 53.050 -0.119 0.000 0.839 133 N CB -1.228 37.287 38.487 0.046 0.000 0.989 133 N HN 0.204 nan 8.380 nan 0.000 0.468 134 H N -2.124 117.071 119.070 0.208 0.000 3.109 134 H HA -0.146 4.424 4.556 0.023 0.000 0.245 134 H C -0.226 175.345 175.328 0.405 0.000 1.187 134 H CA 1.220 57.452 56.048 0.307 0.000 1.136 134 H CB -2.504 27.461 29.762 0.338 0.000 1.243 134 H HN 0.669 nan 8.280 nan 0.000 0.328 135 T N -1.346 113.397 114.554 0.316 0.000 2.905 135 T HA 0.784 5.148 4.350 0.024 0.000 0.283 135 T C 0.726 175.503 174.700 0.129 0.000 1.031 135 T CA -0.472 61.756 62.100 0.213 0.000 1.002 135 T CB 3.010 71.936 68.868 0.097 0.000 1.200 135 T HN 0.397 nan 8.240 nan 0.000 0.560 136 I N -2.380 118.265 120.570 0.124 0.000 2.865 136 I HA 0.631 4.815 4.170 0.024 0.000 0.302 136 I C -1.129 175.062 176.117 0.123 0.000 1.140 136 I CA -1.409 59.932 61.300 0.069 0.000 1.021 136 I CB 2.422 40.428 38.000 0.009 0.000 1.233 136 I HN 0.527 nan 8.210 nan 0.000 0.427 137 K N 4.276 124.699 120.400 0.037 0.000 2.229 137 K HA 0.470 4.804 4.320 0.024 0.000 0.247 137 K C 0.186 176.816 176.600 0.051 0.000 1.117 137 K CA -0.319 55.997 56.287 0.047 0.000 1.036 137 K CB 1.168 33.633 32.500 -0.057 0.000 1.654 137 K HN 0.871 nan 8.250 nan 0.000 0.405 138 G N 0.051 109.041 108.800 0.316 0.000 2.702 138 G HA2 0.243 4.217 3.960 0.024 0.000 0.254 138 G HA3 0.243 4.217 3.960 0.024 0.000 0.254 138 G C -0.870 173.888 174.900 -0.238 0.000 1.380 138 G CA -0.477 44.577 45.100 -0.076 0.000 1.042 138 G HN 0.285 nan 8.290 nan 0.000 0.557 139 S N -0.506 114.781 115.700 -0.688 0.000 2.652 139 S HA 0.644 5.128 4.470 0.024 0.000 0.252 139 S C -1.618 172.644 174.600 -0.563 0.000 1.219 139 S CA -0.653 57.272 58.200 -0.459 0.000 1.151 139 S CB -0.375 62.515 63.200 -0.517 0.000 1.080 139 S HN 0.313 nan 8.310 nan 0.000 0.481 140 F N 3.789 123.667 119.950 -0.119 0.000 2.556 140 F HA 0.594 5.134 4.527 0.021 0.000 0.314 140 F C 0.015 175.934 175.800 0.198 0.000 1.106 140 F CA -0.848 57.149 58.000 -0.005 0.000 0.911 140 F CB 1.568 40.392 39.000 -0.293 0.000 1.190 140 F HN 0.243 nan 8.300 nan 0.000 0.448 141 L N 0.995 122.542 121.223 0.540 0.000 2.299 141 L HA 0.483 4.838 4.340 0.024 0.000 0.268 141 L C -0.268 176.875 176.870 0.456 0.000 1.012 141 L CA -1.300 53.771 54.840 0.385 0.000 0.816 141 L CB 1.208 43.375 42.059 0.180 0.000 1.355 141 L HN 0.508 nan 8.230 nan 0.000 0.457 142 N N -0.008 118.878 118.700 0.310 0.000 2.458 142 N HA 0.305 5.060 4.740 0.024 0.000 0.258 142 N C 0.584 176.312 175.510 0.362 0.000 1.219 142 N CA 1.539 54.756 53.050 0.279 0.000 0.902 142 N CB 0.633 39.227 38.487 0.179 0.000 1.076 142 N HN 0.822 nan 8.380 nan 0.000 0.455 143 G N 0.264 109.235 108.800 0.285 0.000 2.141 143 G HA2 -0.287 3.687 3.960 0.024 0.000 0.231 143 G HA3 -0.287 3.687 3.960 0.024 0.000 0.231 143 G C 0.699 175.667 174.900 0.113 0.000 0.984 143 G CA 0.458 45.705 45.100 0.245 0.000 0.660 143 G HN 0.673 nan 8.290 nan 0.000 0.525 144 S N -0.799 114.967 115.700 0.109 0.000 2.535 144 S HA 0.668 5.153 4.470 0.024 0.000 0.214 144 S C 1.418 176.014 174.600 -0.007 0.000 0.980 144 S CA 1.232 59.352 58.200 -0.132 0.000 0.907 144 S CB 0.481 63.783 63.200 0.169 0.000 0.790 144 S HN 1.910 nan 8.310 nan 0.000 0.510 145 A N 0.985 123.808 122.820 0.004 0.000 2.531 145 A HA 0.509 4.843 4.320 0.024 0.000 0.236 145 A C 1.538 179.003 177.584 -0.198 0.000 1.062 145 A CA 0.426 52.377 52.037 -0.143 0.000 0.760 145 A CB -0.924 17.987 19.000 -0.149 0.000 0.995 145 A HN 1.536 nan 8.150 nan 0.000 0.501 146 G N 1.205 109.845 108.800 -0.265 0.000 2.232 146 G HA2 -0.198 3.777 3.960 0.024 0.000 0.226 146 G HA3 -0.198 3.777 3.960 0.024 0.000 0.226 146 G C 0.592 175.415 174.900 -0.128 0.000 0.996 146 G CA 0.300 45.260 45.100 -0.234 0.000 0.626 146 G HN 1.240 nan 8.290 nan 0.000 0.509 147 S N 0.203 115.877 115.700 -0.043 0.000 2.573 147 S HA 0.523 5.007 4.470 0.024 0.000 0.277 147 S C 0.649 175.332 174.600 0.138 0.000 1.346 147 S CA 0.250 58.493 58.200 0.071 0.000 1.034 147 S CB 1.759 65.084 63.200 0.208 0.000 0.879 147 S HN 1.588 nan 8.310 nan 0.000 0.528 148 V N -0.248 119.788 119.914 0.204 0.000 3.019 148 V HA 1.011 5.145 4.120 0.024 0.000 0.317 148 V C 0.310 176.724 176.094 0.534 0.000 1.094 148 V CA -0.948 61.535 62.300 0.305 0.000 1.000 148 V CB 1.470 33.415 31.823 0.203 0.000 1.060 148 V HN 0.849 nan 8.190 nan 0.000 0.443 149 G N 1.546 110.697 108.800 0.584 0.000 2.388 149 G HA2 0.828 4.802 3.960 0.024 0.000 0.330 149 G HA3 0.828 4.802 3.960 0.024 0.000 0.330 149 G C -1.203 174.008 174.900 0.518 0.000 1.142 149 G CA -0.593 44.861 45.100 0.590 0.000 0.908 149 G HN 1.488 nan 8.290 nan 0.000 0.473 150 F N -0.841 119.275 119.950 0.276 0.000 2.741 150 F HA 0.702 5.249 4.527 0.034 0.000 0.313 150 F C -1.205 174.647 175.800 0.086 0.000 1.153 150 F CA -1.568 56.478 58.000 0.077 0.000 0.931 150 F CB 1.482 40.437 39.000 -0.076 0.000 1.335 150 F HN 0.432 nan 8.300 nan 0.000 0.460 151 N N 0.348 119.033 118.700 -0.025 0.000 2.235 151 N HA 0.723 5.477 4.740 0.024 0.000 0.293 151 N C -1.847 173.377 175.510 -0.477 0.000 1.083 151 N CA -0.704 52.184 53.050 -0.269 0.000 0.801 151 N CB 2.864 41.287 38.487 -0.106 0.000 1.559 151 N HN 0.573 nan 8.380 nan 0.000 0.472 152 I N 0.935 120.787 120.570 -1.198 0.000 2.474 152 I HA 0.378 4.562 4.170 0.024 0.000 0.294 152 I C -0.993 174.777 176.117 -0.578 0.000 1.005 152 I CA -0.630 60.243 61.300 -0.712 0.000 1.113 152 I CB 1.655 39.318 38.000 -0.562 0.000 1.289 152 I HN 0.324 nan 8.210 nan 0.000 0.436 153 D N 6.838 127.108 120.400 -0.217 0.000 2.358 153 D HA 0.330 4.984 4.640 0.024 0.000 0.253 153 D C -0.443 175.989 176.300 0.219 0.000 1.288 153 D CA -0.087 53.908 54.000 -0.008 0.000 0.950 153 D CB 1.297 42.150 40.800 0.089 0.000 1.197 153 D HN 0.496 nan 8.370 nan 0.000 0.550 154 Y N 0.699 120.979 120.300 -0.034 0.000 2.896 154 Y HA -0.389 4.175 4.550 0.023 0.000 0.466 154 Y C 1.529 177.408 175.900 -0.035 0.000 1.199 154 Y CA 1.262 59.353 58.100 -0.015 0.000 2.510 154 Y CB -1.119 37.334 38.460 -0.012 0.000 1.232 154 Y HN 0.436 nan 8.280 nan 0.000 0.631 155 D N 0.117 120.610 120.400 0.155 0.000 2.369 155 D HA 0.168 4.822 4.640 0.024 0.000 0.211 155 D C 0.071 176.377 176.300 0.010 0.000 1.077 155 D CA 0.612 54.643 54.000 0.051 0.000 0.842 155 D CB -0.255 40.570 40.800 0.042 0.000 0.947 155 D HN 0.428 nan 8.370 nan 0.000 0.509 156 C N 1.501 120.809 119.300 0.014 0.000 2.255 156 C HA 0.560 5.034 4.460 0.024 0.000 0.326 156 C C 0.005 174.941 174.990 -0.090 0.000 1.258 156 C CA -0.549 58.451 59.018 -0.030 0.000 1.676 156 C CB -0.273 27.452 27.740 -0.025 0.000 2.314 156 C HN 0.111 nan 8.230 nan 0.000 0.509 157 V N 7.335 127.169 119.914 -0.133 0.000 2.432 157 V HA 0.376 4.511 4.120 0.024 0.000 0.271 157 V C 0.546 176.453 176.094 -0.312 0.000 1.046 157 V CA 0.167 62.288 62.300 -0.299 0.000 0.945 157 V CB 1.436 32.943 31.823 -0.527 0.000 0.992 157 V HN 0.991 nan 8.190 nan 0.000 0.471 158 S N 5.632 121.187 115.700 -0.242 0.000 2.520 158 S HA 0.620 5.104 4.470 0.024 0.000 0.324 158 S C -0.759 173.806 174.600 -0.058 0.000 1.069 158 S CA -0.606 57.544 58.200 -0.083 0.000 1.121 158 S CB 0.215 63.410 63.200 -0.009 0.000 0.971 158 S HN 0.299 nan 8.310 nan 0.000 0.463 159 F N 2.308 122.394 119.950 0.228 0.000 2.495 159 F HA 0.313 4.850 4.527 0.016 0.000 0.365 159 F C 1.675 177.508 175.800 0.056 0.000 1.090 159 F CA -0.930 57.160 58.000 0.149 0.000 1.235 159 F CB 0.649 39.699 39.000 0.083 0.000 1.119 159 F HN 0.911 nan 8.300 nan 0.000 0.562 160 C N 1.414 120.815 119.300 0.169 0.000 3.757 160 C HA 0.417 4.891 4.460 0.024 0.000 0.358 160 C C -0.387 174.646 174.990 0.070 0.000 1.484 160 C CA -0.688 58.358 59.018 0.047 0.000 1.862 160 C CB -1.069 26.604 27.740 -0.111 0.000 2.654 160 C HN 0.716 nan 8.230 nan 0.000 0.699 161 Y N 1.129 121.360 120.300 -0.115 0.000 2.504 161 Y HA 0.697 5.260 4.550 0.021 0.000 0.344 161 Y C -1.072 174.837 175.900 0.015 0.000 1.023 161 Y CA -1.097 56.965 58.100 -0.062 0.000 1.020 161 Y CB 1.617 39.917 38.460 -0.267 0.000 1.282 161 Y HN 0.262 nan 8.280 nan 0.000 0.454 162 M N 5.779 125.012 119.600 -0.613 0.000 2.263 162 M HA 0.334 4.828 4.480 0.024 0.000 0.295 162 M C -1.926 173.910 176.300 -0.773 0.000 1.028 162 M CA -0.736 54.267 55.300 -0.495 0.000 0.921 162 M CB 1.009 33.400 32.600 -0.348 0.000 1.601 162 M HN 0.942 nan 8.290 nan 0.000 0.440 163 H N 3.165 121.874 119.070 -0.602 0.000 2.683 163 H HA 0.293 4.862 4.556 0.023 0.000 0.339 163 H C -0.258 174.892 175.328 -0.296 0.000 1.081 163 H CA 1.083 56.852 56.048 -0.465 0.000 1.432 163 H CB 0.615 30.062 29.762 -0.525 0.000 1.462 163 H HN 0.729 nan 8.280 nan 0.000 0.557 164 H N 3.627 122.172 119.070 -0.875 0.000 2.348 164 H HA 0.160 4.731 4.556 0.025 0.000 0.233 164 H C 0.285 175.376 175.328 -0.395 0.000 0.889 164 H CA 0.616 56.418 56.048 -0.411 0.000 1.034 164 H CB 0.813 30.543 29.762 -0.054 0.000 1.393 164 H HN 0.608 nan 8.280 nan 0.000 0.422 165 M N -0.144 119.292 119.600 -0.273 0.000 2.924 165 M HA 0.460 4.954 4.480 0.024 0.000 0.271 165 M C -1.740 174.656 176.300 0.159 0.000 1.280 165 M CA -0.830 54.442 55.300 -0.048 0.000 0.813 165 M CB 3.547 36.156 32.600 0.016 0.000 1.658 165 M HN -0.106 nan 8.290 nan 0.000 0.467 166 E N 1.248 121.544 120.200 0.159 0.000 2.199 166 E HA 0.656 5.020 4.350 0.024 0.000 0.265 166 E C -1.740 174.862 176.600 0.002 0.000 0.882 166 E CA -0.703 55.786 56.400 0.148 0.000 0.759 166 E CB 2.013 31.857 29.700 0.240 0.000 1.148 166 E HN 0.697 nan 8.360 nan 0.000 0.412 167 L N 5.255 126.428 121.223 -0.084 0.000 2.456 167 L HA 0.296 4.651 4.340 0.024 0.000 0.257 167 L C -1.557 175.282 176.870 -0.052 0.000 1.162 167 L CA -1.904 52.885 54.840 -0.085 0.000 0.808 167 L CB 0.406 42.384 42.059 -0.135 0.000 1.136 167 L HN 0.560 nan 8.230 nan 0.000 0.466 168 P HA -0.176 nan 4.420 nan 0.000 0.217 168 P C 1.155 178.444 177.300 -0.019 0.000 1.148 168 P CA 1.365 64.459 63.100 -0.011 0.000 0.834 168 P CB -0.059 31.642 31.700 0.002 0.000 0.783 169 T N -5.204 109.332 114.554 -0.030 0.000 3.160 169 T HA 0.286 4.650 4.350 0.024 0.000 0.257 169 T C 1.521 176.185 174.700 -0.061 0.000 1.147 169 T CA 0.448 62.528 62.100 -0.034 0.000 1.064 169 T CB -0.913 67.939 68.868 -0.027 0.000 0.949 169 T HN 0.277 nan 8.240 nan 0.000 0.526 170 G N 0.936 109.685 108.800 -0.085 0.000 2.159 170 G HA2 -0.241 3.733 3.960 0.024 0.000 0.256 170 G HA3 -0.241 3.733 3.960 0.024 0.000 0.256 170 G C 0.170 174.874 174.900 -0.327 0.000 0.977 170 G CA 0.107 45.130 45.100 -0.129 0.000 0.652 170 G HN 1.271 nan 8.290 nan 0.000 0.531 171 V N -2.523 117.202 119.914 -0.315 0.000 3.109 171 V HA 0.909 5.043 4.120 0.024 0.000 0.317 171 V C 0.325 176.103 176.094 -0.526 0.000 1.074 171 V CA -1.237 60.824 62.300 -0.398 0.000 1.033 171 V CB 1.241 32.978 31.823 -0.142 0.000 1.111 171 V HN 0.344 nan 8.190 nan 0.000 0.458 172 H N 0.482 119.633 119.070 0.135 0.000 2.573 172 H HA 0.891 5.463 4.556 0.026 0.000 0.351 172 H C 0.024 175.468 175.328 0.194 0.000 1.163 172 H CA 0.150 56.341 56.048 0.238 0.000 1.205 172 H CB 1.776 31.787 29.762 0.414 0.000 1.605 172 H HN 1.150 nan 8.280 nan 0.000 0.525 173 A N 1.188 124.203 122.820 0.325 0.000 2.401 173 A HA 0.851 5.185 4.320 0.024 0.000 0.310 173 A C -0.092 177.768 177.584 0.460 0.000 1.075 173 A CA 0.018 52.217 52.037 0.271 0.000 0.746 173 A CB 1.473 20.361 19.000 -0.188 0.000 1.277 173 A HN 0.897 nan 8.150 nan 0.000 0.425 174 G N -0.687 108.406 108.800 0.489 0.000 2.570 174 G HA2 0.742 4.717 3.960 0.024 0.000 0.310 174 G HA3 0.742 4.717 3.960 0.024 0.000 0.310 174 G C -0.471 174.189 174.900 -0.400 0.000 1.266 174 G CA 0.377 45.417 45.100 -0.100 0.000 0.825 174 G HN 1.604 nan 8.290 nan 0.000 0.483 175 T N -1.906 112.252 114.554 -0.659 0.000 2.888 175 T HA 0.668 5.032 4.350 0.024 0.000 0.288 175 T C -0.565 173.972 174.700 -0.272 0.000 1.063 175 T CA 0.000 61.751 62.100 -0.582 0.000 1.010 175 T CB 1.925 70.268 68.868 -0.875 0.000 1.214 175 T HN 0.796 nan 8.240 nan 0.000 0.533 176 D N 0.190 120.367 120.400 -0.371 0.000 2.447 176 D HA 0.180 4.835 4.640 0.024 0.000 0.265 176 D C 1.098 177.202 176.300 -0.327 0.000 1.250 176 D CA -1.037 52.823 54.000 -0.233 0.000 1.046 176 D CB 0.161 40.776 40.800 -0.310 0.000 1.095 176 D HN 0.315 nan 8.370 nan 0.000 0.555 177 L N -0.320 120.647 121.223 -0.427 0.000 2.650 177 L HA 0.058 4.412 4.340 0.024 0.000 0.235 177 L C 1.175 177.713 176.870 -0.553 0.000 1.149 177 L CA 0.943 55.323 54.840 -0.767 0.000 0.887 177 L CB -1.018 40.023 42.059 -1.697 0.000 1.021 177 L HN 0.519 nan 8.230 nan 0.000 0.441 178 E N -0.668 119.362 120.200 -0.283 0.000 2.460 178 E HA 0.142 4.506 4.350 0.024 0.000 0.200 178 E C 1.336 177.859 176.600 -0.128 0.000 1.011 178 E CA 0.529 56.858 56.400 -0.118 0.000 0.912 178 E CB 0.552 30.215 29.700 -0.062 0.000 0.953 178 E HN 0.464 nan 8.360 nan 0.000 0.494 179 G N 2.026 110.698 108.800 -0.212 0.000 2.179 179 G HA2 -0.227 3.747 3.960 0.024 0.000 0.220 179 G HA3 -0.227 3.747 3.960 0.024 0.000 0.220 179 G C -0.054 174.683 174.900 -0.273 0.000 0.990 179 G CA -0.391 44.575 45.100 -0.223 0.000 0.646 179 G HN 0.061 nan 8.290 nan 0.000 0.517 180 K N 0.597 120.833 120.400 -0.273 0.000 2.262 180 K HA 0.511 4.845 4.320 0.024 0.000 0.282 180 K C 0.021 176.418 176.600 -0.337 0.000 1.066 180 K CA -0.669 55.477 56.287 -0.236 0.000 0.901 180 K CB 0.804 33.183 32.500 -0.202 0.000 1.089 180 K HN 0.103 nan 8.250 nan 0.000 0.476 181 F N 1.853 121.657 119.950 -0.244 0.000 2.589 181 F HA -0.048 4.494 4.527 0.025 0.000 0.352 181 F C 0.604 176.301 175.800 -0.172 0.000 1.168 181 F CA 0.423 58.322 58.000 -0.170 0.000 1.353 181 F CB 0.263 39.225 39.000 -0.062 0.000 1.116 181 F HN 0.381 nan 8.300 nan 0.000 0.608 182 Y N 1.314 121.785 120.300 0.286 0.000 2.308 182 Y HA 0.490 5.053 4.550 0.023 0.000 0.329 182 Y C 0.762 176.835 175.900 0.288 0.000 1.111 182 Y CA 0.103 58.338 58.100 0.225 0.000 1.179 182 Y CB 0.939 39.597 38.460 0.329 0.000 1.201 182 Y HN 0.847 nan 8.280 nan 0.000 0.483 183 G N 3.850 112.684 108.800 0.057 0.000 2.782 183 G HA2 -0.204 3.770 3.960 0.024 0.000 0.228 183 G HA3 -0.204 3.770 3.960 0.024 0.000 0.228 183 G C -1.914 172.740 174.900 -0.411 0.000 1.372 183 G CA -0.533 44.467 45.100 -0.166 0.000 0.862 183 G HN 0.515 nan 8.290 nan 0.000 0.547 184 P HA 0.123 nan 4.420 nan 0.000 0.229 184 P C 0.843 177.804 177.300 -0.564 0.000 1.160 184 P CA 0.528 63.274 63.100 -0.590 0.000 0.777 184 P CB -0.078 31.321 31.700 -0.502 0.000 0.814 185 F N 1.535 121.409 119.950 -0.127 0.000 2.626 185 F HA 0.111 4.653 4.527 0.024 0.000 0.354 185 F C 1.333 176.709 175.800 -0.707 0.000 1.168 185 F CA -0.371 57.422 58.000 -0.345 0.000 1.368 185 F CB -0.559 38.264 39.000 -0.295 0.000 1.092 185 F HN -0.199 nan 8.300 nan 0.000 0.612 186 V N -1.519 118.075 119.914 -0.534 0.000 3.049 186 V HA 0.441 4.576 4.120 0.024 0.000 0.309 186 V C -0.897 174.930 176.094 -0.445 0.000 1.148 186 V CA -1.284 60.678 62.300 -0.563 0.000 0.990 186 V CB 2.040 33.737 31.823 -0.210 0.000 1.039 186 V HN 0.690 nan 8.190 nan 0.000 0.430 187 D N 2.474 122.746 120.400 -0.213 0.000 2.845 187 D HA 0.258 4.912 4.640 0.024 0.000 0.235 187 D C 0.241 176.634 176.300 0.154 0.000 1.158 187 D CA -0.249 53.793 54.000 0.069 0.000 0.990 187 D CB -0.150 40.846 40.800 0.326 0.000 1.094 187 D HN 0.811 nan 8.370 nan 0.000 0.486 188 R N -0.519 120.009 120.500 0.047 0.000 2.604 188 R HA 0.358 4.713 4.340 0.024 0.000 0.270 188 R C -0.859 175.440 176.300 -0.001 0.000 1.052 188 R CA -0.993 55.135 56.100 0.045 0.000 0.902 188 R CB 0.525 30.857 30.300 0.054 0.000 1.233 188 R HN -0.130 nan 8.270 nan 0.000 0.455 189 Q N 1.874 121.670 119.800 -0.008 0.000 2.320 189 Q HA 0.166 4.521 4.340 0.024 0.000 0.262 189 Q C -1.072 174.924 176.000 -0.007 0.000 1.225 189 Q CA 0.954 56.750 55.803 -0.012 0.000 0.916 189 Q CB 0.008 28.738 28.738 -0.014 0.000 1.417 189 Q HN 0.715 nan 8.270 nan 0.000 0.462 190 T N 0.429 114.980 114.554 -0.005 0.000 2.821 190 T HA 0.719 5.083 4.350 0.024 0.000 0.306 190 T C -0.999 173.707 174.700 0.009 0.000 1.313 190 T CA -0.534 61.567 62.100 0.001 0.000 1.012 190 T CB 1.113 69.980 68.868 -0.002 0.000 1.298 190 T HN 0.462 nan 8.240 nan 0.000 0.502 191 A N 1.678 124.505 122.820 0.012 0.000 2.444 191 A HA 0.550 4.885 4.320 0.024 0.000 0.273 191 A C -0.019 177.587 177.584 0.036 0.000 1.136 191 A CA -0.030 52.020 52.037 0.021 0.000 0.799 191 A CB -0.277 18.733 19.000 0.017 0.000 1.081 191 A HN 0.667 nan 8.150 nan 0.000 0.509 192 Q N 0.364 120.201 119.800 0.061 0.000 2.421 192 Q HA 0.733 5.088 4.340 0.024 0.000 0.280 192 Q C -0.875 175.207 176.000 0.137 0.000 1.085 192 Q CA -0.687 55.188 55.803 0.119 0.000 0.807 192 Q CB 2.614 31.466 28.738 0.190 0.000 1.405 192 Q HN 1.016 nan 8.270 nan 0.000 0.419 193 A N 0.642 123.577 122.820 0.192 0.000 2.549 193 A HA 0.845 5.179 4.320 0.024 0.000 0.297 193 A C -1.336 176.405 177.584 0.263 0.000 1.061 193 A CA -0.497 51.640 52.037 0.167 0.000 0.690 193 A CB 1.448 20.503 19.000 0.092 0.000 1.287 193 A HN 0.739 nan 8.150 nan 0.000 0.402 194 A N 0.808 123.758 122.820 0.218 0.000 2.407 194 A HA 0.601 4.936 4.320 0.024 0.000 0.248 194 A C 1.014 178.693 177.584 0.159 0.000 1.082 194 A CA 0.442 52.634 52.037 0.260 0.000 0.785 194 A CB -0.124 18.969 19.000 0.155 0.000 1.020 194 A HN 2.028 nan 8.150 nan 0.000 0.489 195 G N 0.079 108.967 108.800 0.147 0.000 2.486 195 G HA2 0.391 4.365 3.960 0.024 0.000 0.272 195 G HA3 0.391 4.365 3.960 0.024 0.000 0.272 195 G C 0.233 175.169 174.900 0.059 0.000 1.426 195 G CA -0.006 45.145 45.100 0.084 0.000 1.058 195 G HN 0.734 nan 8.290 nan 0.000 0.531 196 T N 0.673 115.252 114.554 0.041 0.000 2.817 196 T HA 0.163 4.527 4.350 0.024 0.000 0.295 196 T C -0.066 174.648 174.700 0.024 0.000 0.958 196 T CA 0.421 62.539 62.100 0.030 0.000 1.157 196 T CB 0.503 69.386 68.868 0.026 0.000 0.898 196 T HN 0.463 nan 8.240 nan 0.000 0.536 197 D N 4.070 124.480 120.400 0.017 0.000 2.402 197 D HA 0.135 4.789 4.640 0.024 0.000 0.235 197 D C 0.775 177.065 176.300 -0.017 0.000 1.226 197 D CA -0.372 53.627 54.000 -0.001 0.000 0.918 197 D CB 0.262 41.061 40.800 -0.003 0.000 1.043 197 D HN 0.509 nan 8.370 nan 0.000 0.506 198 T N 0.679 115.216 114.554 -0.028 0.000 2.816 198 T HA 0.405 4.769 4.350 0.024 0.000 0.282 198 T C 0.433 175.059 174.700 -0.123 0.000 0.993 198 T CA -0.744 61.328 62.100 -0.046 0.000 0.994 198 T CB 1.090 69.948 68.868 -0.016 0.000 1.025 198 T HN 0.199 nan 8.240 nan 0.000 0.529 199 T N 1.641 116.048 114.554 -0.245 0.000 2.767 199 T HA 0.411 4.775 4.350 0.024 0.000 0.284 199 T C 0.458 174.935 174.700 -0.370 0.000 0.973 199 T CA -0.574 61.267 62.100 -0.431 0.000 0.996 199 T CB 0.137 68.456 68.868 -0.916 0.000 0.927 199 T HN 0.541 nan 8.240 nan 0.000 0.456 200 I N 4.090 124.528 120.570 -0.220 0.000 2.593 200 I HA -0.013 4.171 4.170 0.024 0.000 0.304 200 I C 1.830 177.904 176.117 -0.072 0.000 1.176 200 I CA -0.121 61.114 61.300 -0.109 0.000 1.533 200 I CB -0.639 37.316 38.000 -0.075 0.000 1.492 200 I HN 0.717 nan 8.210 nan 0.000 0.704 201 T N 4.249 118.799 114.554 -0.006 0.000 2.685 201 T HA -0.252 4.112 4.350 0.024 0.000 0.268 201 T C 1.829 176.626 174.700 0.162 0.000 1.034 201 T CA 1.511 63.723 62.100 0.187 0.000 1.149 201 T CB -0.148 68.927 68.868 0.345 0.000 0.860 201 T HN 0.524 nan 8.240 nan 0.000 0.449 202 L N 1.915 123.188 121.223 0.083 0.000 2.042 202 L HA -0.075 4.279 4.340 0.024 0.000 0.210 202 L C 1.846 178.761 176.870 0.075 0.000 1.076 202 L CA 1.760 56.611 54.840 0.019 0.000 0.749 202 L CB -0.932 40.994 42.059 -0.221 0.000 0.893 202 L HN 0.118 nan 8.230 nan 0.000 0.432 203 N N -0.726 118.020 118.700 0.075 0.000 2.171 203 N HA -0.104 4.650 4.740 0.024 0.000 0.184 203 N C 1.888 177.528 175.510 0.217 0.000 1.021 203 N CA 1.599 54.734 53.050 0.143 0.000 0.854 203 N CB -0.568 37.977 38.487 0.096 0.000 0.994 203 N HN 0.276 nan 8.380 nan 0.000 0.426 204 V N 1.489 121.511 119.914 0.180 0.000 2.392 204 V HA -0.171 3.963 4.120 0.024 0.000 0.249 204 V C 2.309 178.569 176.094 0.276 0.000 1.059 204 V CA 1.240 63.696 62.300 0.260 0.000 1.051 204 V CB -0.581 31.405 31.823 0.273 0.000 0.658 204 V HN 0.219 nan 8.190 nan 0.000 0.455 205 L N 0.002 121.339 121.223 0.190 0.000 2.027 205 L HA -0.097 4.257 4.340 0.024 0.000 0.206 205 L C 2.781 179.765 176.870 0.190 0.000 1.074 205 L CA 1.455 56.365 54.840 0.117 0.000 0.745 205 L CB -0.822 41.298 42.059 0.101 0.000 0.898 205 L HN 0.334 nan 8.230 nan 0.000 0.433 206 A N -0.429 122.537 122.820 0.243 0.000 1.892 206 A HA -0.302 4.032 4.320 0.024 0.000 0.218 206 A C 2.024 179.730 177.584 0.203 0.000 1.188 206 A CA 1.958 54.151 52.037 0.259 0.000 0.631 206 A CB -1.215 17.917 19.000 0.221 0.000 0.822 206 A HN 0.652 nan 8.150 nan 0.000 0.447 207 W N 0.477 121.780 121.300 0.004 0.000 2.363 207 W HA -0.094 4.580 4.660 0.023 0.000 0.296 207 W C 1.663 178.057 176.519 -0.207 0.000 1.212 207 W CA 1.609 58.870 57.345 -0.140 0.000 1.260 207 W CB -0.337 29.107 29.460 -0.027 0.000 1.131 207 W HN 0.256 nan 8.180 nan 0.000 0.530 208 L N -0.631 120.468 121.223 -0.207 0.000 2.191 208 L HA -0.243 4.112 4.340 0.024 0.000 0.212 208 L C 2.137 178.754 176.870 -0.422 0.000 1.103 208 L CA 1.258 55.813 54.840 -0.476 0.000 0.769 208 L CB -0.807 41.040 42.059 -0.354 0.000 0.908 208 L HN 0.019 nan 8.230 nan 0.000 0.438 209 Y N -0.851 119.307 120.300 -0.237 0.000 2.286 209 Y HA -0.136 4.428 4.550 0.023 0.000 0.293 209 Y C 2.596 178.293 175.900 -0.339 0.000 1.124 209 Y CA 0.799 58.766 58.100 -0.222 0.000 1.178 209 Y CB -0.295 38.068 38.460 -0.162 0.000 1.010 209 Y HN 0.122 nan 8.280 nan 0.000 0.536 210 A N 0.220 122.823 122.820 -0.363 0.000 1.940 210 A HA -0.213 4.122 4.320 0.024 0.000 0.219 210 A C 2.371 179.578 177.584 -0.628 0.000 1.176 210 A CA 1.846 53.467 52.037 -0.693 0.000 0.631 210 A CB -1.119 17.043 19.000 -1.397 0.000 0.814 210 A HN 0.425 nan 8.150 nan 0.000 0.446 211 A N -0.684 121.752 122.820 -0.641 0.000 1.898 211 A HA 0.056 4.390 4.320 0.024 0.000 0.216 211 A C 2.229 179.672 177.584 -0.236 0.000 1.181 211 A CA 1.653 53.406 52.037 -0.473 0.000 0.620 211 A CB -0.841 17.812 19.000 -0.578 0.000 0.819 211 A HN 0.364 nan 8.150 nan 0.000 0.442 212 V N 0.363 120.160 119.914 -0.196 0.000 2.261 212 V HA -0.272 3.862 4.120 0.024 0.000 0.246 212 V C 2.425 178.433 176.094 -0.143 0.000 1.047 212 V CA 2.091 64.284 62.300 -0.177 0.000 1.015 212 V CB -0.735 30.973 31.823 -0.191 0.000 0.642 212 V HN 0.577 nan 8.190 nan 0.000 0.446 213 I N 0.382 120.870 120.570 -0.138 0.000 2.264 213 I HA -0.241 3.943 4.170 0.024 0.000 0.248 213 I C 1.766 177.819 176.117 -0.107 0.000 1.111 213 I CA 1.539 62.772 61.300 -0.112 0.000 1.382 213 I CB -0.446 37.485 38.000 -0.115 0.000 1.060 213 I HN 0.372 nan 8.210 nan 0.000 0.418 214 N N 0.874 119.487 118.700 -0.145 0.000 2.362 214 N HA 0.046 4.800 4.740 0.024 0.000 0.211 214 N C 1.160 176.633 175.510 -0.062 0.000 1.170 214 N CA 0.821 53.813 53.050 -0.096 0.000 0.828 214 N CB 0.688 39.108 38.487 -0.113 0.000 1.034 214 N HN 0.550 nan 8.380 nan 0.000 0.475 215 G N 0.760 109.519 108.800 -0.067 0.000 2.195 215 G HA2 -0.200 3.775 3.960 0.024 0.000 0.246 215 G HA3 -0.200 3.775 3.960 0.024 0.000 0.246 215 G C -0.257 174.631 174.900 -0.021 0.000 0.984 215 G CA -0.337 44.738 45.100 -0.041 0.000 0.633 215 G HN 0.289 nan 8.290 nan 0.000 0.525 216 D N 0.515 120.902 120.400 -0.021 0.000 2.380 216 D HA 0.490 5.144 4.640 0.024 0.000 0.230 216 D C 1.621 177.866 176.300 -0.092 0.000 1.154 216 D CA -0.161 53.880 54.000 0.068 0.000 0.859 216 D CB 0.574 41.449 40.800 0.124 0.000 1.045 216 D HN 0.699 nan 8.370 nan 0.000 0.495 217 R N 3.135 123.527 120.500 -0.180 0.000 2.517 217 R HA 0.070 4.425 4.340 0.024 0.000 0.265 217 R C 1.980 177.882 176.300 -0.664 0.000 0.921 217 R CA -0.457 55.311 56.100 -0.553 0.000 1.054 217 R CB -0.432 29.659 30.300 -0.349 0.000 1.340 217 R HN 0.421 nan 8.270 nan 0.000 0.551 218 W N 2.887 124.020 121.300 -0.279 0.000 2.274 218 W HA -0.315 4.359 4.660 0.023 0.000 0.314 218 W C 0.851 177.286 176.519 -0.140 0.000 1.254 218 W CA 1.296 58.552 57.345 -0.147 0.000 1.265 218 W CB -1.170 28.289 29.460 -0.002 0.000 1.141 218 W HN 0.145 nan 8.180 nan 0.000 0.505 219 F N 0.222 119.655 119.950 -0.862 0.000 2.771 219 F HA 0.382 4.923 4.527 0.024 0.000 0.299 219 F C 0.650 176.215 175.800 -0.392 0.000 1.177 219 F CA 0.073 57.571 58.000 -0.836 0.000 1.450 219 F CB -1.188 36.956 39.000 -1.427 0.000 1.114 219 F HN -0.266 nan 8.300 nan 0.000 0.587 220 L N 3.424 124.252 121.223 -0.657 0.000 2.321 220 L HA 0.322 4.676 4.340 0.024 0.000 0.272 220 L C -0.388 176.346 176.870 -0.226 0.000 1.050 220 L CA -0.442 54.133 54.840 -0.443 0.000 0.893 220 L CB 0.220 41.932 42.059 -0.579 0.000 1.272 220 L HN 0.312 nan 8.230 nan 0.000 0.435 221 N N 1.000 119.631 118.700 -0.114 0.000 2.423 221 N HA 0.111 4.866 4.740 0.024 0.000 0.262 221 N C -0.462 175.048 175.510 -0.000 0.000 1.467 221 N CA -0.583 52.441 53.050 -0.044 0.000 0.847 221 N CB 0.442 38.930 38.487 0.001 0.000 1.394 221 N HN 0.171 nan 8.380 nan 0.000 0.495 222 R N 0.096 120.584 120.500 -0.021 0.000 2.740 222 R HA 0.459 4.813 4.340 0.024 0.000 0.282 222 R C -1.091 175.218 176.300 0.016 0.000 0.969 222 R CA -0.639 55.479 56.100 0.030 0.000 0.918 222 R CB 1.314 31.628 30.300 0.024 0.000 1.175 222 R HN 0.102 nan 8.270 nan 0.000 0.464 223 F N 0.735 120.681 119.950 -0.007 0.000 2.371 223 F HA 0.158 4.699 4.527 0.024 0.000 0.329 223 F C 0.582 176.385 175.800 0.006 0.000 1.107 223 F CA 0.244 58.241 58.000 -0.005 0.000 1.137 223 F CB 1.045 40.045 39.000 -0.000 0.000 1.214 223 F HN 0.441 nan 8.300 nan 0.000 0.536 224 T N 3.097 117.536 114.554 -0.192 0.000 2.830 224 T HA 0.068 4.432 4.350 0.024 0.000 0.282 224 T C 0.192 174.976 174.700 0.140 0.000 1.024 224 T CA 0.210 62.293 62.100 -0.029 0.000 1.144 224 T CB -0.089 68.743 68.868 -0.059 0.000 1.035 224 T HN 0.629 nan 8.240 nan 0.000 0.507 225 T N 1.808 116.424 114.554 0.104 0.000 2.864 225 T HA 0.730 5.094 4.350 0.024 0.000 0.276 225 T C 0.697 175.465 174.700 0.113 0.000 1.006 225 T CA -0.948 61.231 62.100 0.130 0.000 0.970 225 T CB 1.341 70.308 68.868 0.166 0.000 1.420 225 T HN 0.810 nan 8.240 nan 0.000 0.601 226 T N -1.362 113.265 114.554 0.121 0.000 2.926 226 T HA 0.541 4.905 4.350 0.024 0.000 0.289 226 T C 0.791 175.575 174.700 0.140 0.000 1.054 226 T CA -0.816 61.346 62.100 0.102 0.000 1.015 226 T CB 0.793 69.710 68.868 0.083 0.000 1.167 226 T HN 0.139 nan 8.240 nan 0.000 0.526 227 L N 1.200 122.491 121.223 0.114 0.000 2.093 227 L HA 0.047 4.401 4.340 0.024 0.000 0.208 227 L C 2.482 179.447 176.870 0.157 0.000 1.085 227 L CA 1.474 56.400 54.840 0.143 0.000 0.755 227 L CB -1.087 41.021 42.059 0.083 0.000 0.904 227 L HN 0.651 nan 8.230 nan 0.000 0.435 228 N N -0.317 118.446 118.700 0.105 0.000 2.106 228 N HA -0.155 4.599 4.740 0.024 0.000 0.188 228 N C 1.409 176.966 175.510 0.079 0.000 1.029 228 N CA 1.388 54.488 53.050 0.083 0.000 0.848 228 N CB -0.247 38.275 38.487 0.057 0.000 1.007 228 N HN 0.320 nan 8.380 nan 0.000 0.423 229 D N -0.173 120.278 120.400 0.085 0.000 2.178 229 D HA -0.095 4.559 4.640 0.024 0.000 0.202 229 D C 1.696 178.022 176.300 0.042 0.000 0.974 229 D CA 0.354 54.388 54.000 0.058 0.000 0.841 229 D CB -0.352 40.486 40.800 0.064 0.000 0.953 229 D HN 0.218 nan 8.370 nan 0.000 0.478 230 F N 1.851 121.816 119.950 0.026 0.000 2.098 230 F HA -0.110 4.431 4.527 0.024 0.000 0.294 230 F C 1.964 177.782 175.800 0.029 0.000 1.107 230 F CA 1.022 59.035 58.000 0.021 0.000 1.234 230 F CB -0.127 38.887 39.000 0.023 0.000 1.002 230 F HN -0.193 nan 8.300 nan 0.000 0.472 231 N N 1.062 119.875 118.700 0.190 0.000 2.094 231 N HA -0.204 4.550 4.740 0.024 0.000 0.191 231 N C 2.091 177.587 175.510 -0.023 0.000 1.023 231 N CA 1.646 54.769 53.050 0.122 0.000 0.857 231 N CB -0.664 37.913 38.487 0.150 0.000 1.013 231 N HN 0.367 nan 8.380 nan 0.000 0.426 232 L N 0.429 121.635 121.223 -0.029 0.000 2.013 232 L HA -0.194 4.160 4.340 0.024 0.000 0.212 232 L C 2.237 179.059 176.870 -0.080 0.000 1.073 232 L CA 1.123 55.940 54.840 -0.038 0.000 0.753 232 L CB -0.540 41.507 42.059 -0.020 0.000 0.890 232 L HN 0.010 nan 8.230 nan 0.000 0.432 233 V N -0.203 119.608 119.914 -0.172 0.000 2.379 233 V HA -0.174 3.960 4.120 0.024 0.000 0.245 233 V C 2.451 178.459 176.094 -0.143 0.000 1.044 233 V CA 1.507 63.706 62.300 -0.168 0.000 1.036 233 V CB -0.870 30.788 31.823 -0.275 0.000 0.664 233 V HN 0.474 nan 8.190 nan 0.000 0.453 234 A N -0.561 122.068 122.820 -0.318 0.000 2.264 234 A HA -0.086 4.249 4.320 0.024 0.000 0.207 234 A C 2.035 179.652 177.584 0.055 0.000 1.196 234 A CA 0.928 52.858 52.037 -0.179 0.000 0.778 234 A CB -0.460 18.427 19.000 -0.188 0.000 0.779 234 A HN 0.366 nan 8.150 nan 0.000 0.483 235 M N 0.545 120.161 119.600 0.026 0.000 2.064 235 M HA -0.116 4.378 4.480 0.024 0.000 0.260 235 M C 2.102 178.415 176.300 0.021 0.000 1.073 235 M CA 2.256 57.577 55.300 0.035 0.000 1.124 235 M CB -1.080 31.521 32.600 0.001 0.000 1.326 235 M HN 0.692 nan 8.290 nan 0.000 0.410 236 K N -1.394 118.964 120.400 -0.071 0.000 2.393 236 K HA -0.042 4.292 4.320 0.024 0.000 0.193 236 K C 0.778 177.210 176.600 -0.281 0.000 1.026 236 K CA 0.593 56.762 56.287 -0.197 0.000 1.064 236 K CB -0.279 32.031 32.500 -0.316 0.000 0.833 236 K HN 0.231 nan 8.250 nan 0.000 0.521 237 Y N 2.111 122.442 120.300 0.052 0.000 2.470 237 Y HA 0.200 4.764 4.550 0.023 0.000 0.284 237 Y C -0.349 175.705 175.900 0.255 0.000 1.188 237 Y CA -0.517 57.650 58.100 0.112 0.000 1.269 237 Y CB -0.190 38.290 38.460 0.033 0.000 1.094 237 Y HN 0.122 nan 8.280 nan 0.000 0.518 238 N N 0.468 119.324 118.700 0.259 0.000 2.696 238 N HA -0.264 4.490 4.740 0.024 0.000 0.256 238 N C -1.490 174.187 175.510 0.278 0.000 1.031 238 N CA 0.683 53.860 53.050 0.212 0.000 0.730 238 N CB -1.478 37.077 38.487 0.113 0.000 0.894 238 N HN 0.327 nan 8.380 nan 0.000 0.544 239 Y N 0.785 121.153 120.300 0.113 0.000 2.360 239 Y HA 0.269 4.833 4.550 0.024 0.000 0.337 239 Y C 1.299 177.277 175.900 0.130 0.000 1.039 239 Y CA -0.765 57.414 58.100 0.132 0.000 1.109 239 Y CB 0.988 39.552 38.460 0.174 0.000 1.201 239 Y HN 0.055 nan 8.280 nan 0.000 0.458 240 E N 4.445 124.762 120.200 0.195 0.000 2.425 240 E HA 0.109 4.473 4.350 0.024 0.000 0.258 240 E C -2.378 174.364 176.600 0.238 0.000 1.151 240 E CA -1.604 54.903 56.400 0.178 0.000 0.958 240 E CB 0.039 29.827 29.700 0.147 0.000 0.968 240 E HN 0.326 nan 8.360 nan 0.000 0.451 241 P HA 0.077 nan 4.420 nan 0.000 0.279 241 P C -0.758 176.614 177.300 0.121 0.000 1.239 241 P CA -0.101 63.097 63.100 0.164 0.000 0.789 241 P CB 0.496 32.253 31.700 0.096 0.000 0.933 242 L N 3.349 124.655 121.223 0.137 0.000 2.456 242 L HA 0.268 4.623 4.340 0.024 0.000 0.277 242 L C 0.914 177.690 176.870 -0.156 0.000 1.124 242 L CA 0.709 55.559 54.840 0.018 0.000 0.880 242 L CB -0.366 41.715 42.059 0.036 0.000 1.192 242 L HN 0.592 nan 8.230 nan 0.000 0.463 243 T N -0.282 113.959 114.554 -0.522 0.000 2.645 243 T HA 0.177 4.541 4.350 0.024 0.000 0.300 243 T C -0.161 174.268 174.700 -0.453 0.000 1.210 243 T CA -0.695 61.177 62.100 -0.380 0.000 1.034 243 T CB 1.287 70.011 68.868 -0.240 0.000 1.537 243 T HN 0.300 nan 8.240 nan 0.000 0.492 244 Q N 1.386 121.085 119.800 -0.169 0.000 2.395 244 Q HA -0.164 4.190 4.340 0.024 0.000 0.326 244 Q C -0.682 175.338 176.000 0.033 0.000 1.302 244 Q CA 1.177 56.960 55.803 -0.033 0.000 0.949 244 Q CB -2.025 26.733 28.738 0.033 0.000 1.204 244 Q HN 0.865 nan 8.270 nan 0.000 0.444 245 D N 0.236 120.634 120.400 -0.002 0.000 4.847 245 D HA -0.213 4.442 4.640 0.024 0.000 0.182 245 D C 0.806 177.209 176.300 0.172 0.000 1.235 245 D CA 0.717 54.751 54.000 0.057 0.000 0.808 245 D CB -0.108 40.717 40.800 0.041 0.000 1.100 245 D HN 0.418 nan 8.370 nan 0.000 0.586 246 H N 0.093 119.183 119.070 0.034 0.000 2.529 246 H HA 0.020 4.591 4.556 0.024 0.000 0.277 246 H C 2.020 177.365 175.328 0.028 0.000 0.999 246 H CA 0.417 56.489 56.048 0.040 0.000 1.256 246 H CB 0.224 30.012 29.762 0.043 0.000 1.402 246 H HN 0.262 nan 8.280 nan 0.000 0.566 247 V N 0.417 120.416 119.914 0.142 0.000 2.283 247 V HA -0.188 3.946 4.120 0.024 0.000 0.243 247 V C 1.979 178.102 176.094 0.049 0.000 1.039 247 V CA 1.778 64.120 62.300 0.070 0.000 1.016 247 V CB -0.395 31.450 31.823 0.036 0.000 0.650 247 V HN 0.257 nan 8.190 nan 0.000 0.449 248 D N 0.603 121.034 120.400 0.052 0.000 2.160 248 D HA -0.221 4.433 4.640 0.024 0.000 0.189 248 D C 1.993 178.309 176.300 0.026 0.000 1.003 248 D CA 1.931 55.953 54.000 0.035 0.000 0.846 248 D CB -0.442 40.387 40.800 0.048 0.000 0.949 248 D HN 0.397 nan 8.370 nan 0.000 0.446 249 I N 0.124 120.724 120.570 0.050 0.000 2.236 249 I HA -0.272 3.912 4.170 0.024 0.000 0.249 249 I C 2.056 178.172 176.117 -0.002 0.000 1.102 249 I CA 0.893 62.215 61.300 0.038 0.000 1.365 249 I CB -0.284 37.751 38.000 0.058 0.000 1.051 249 I HN 0.074 nan 8.210 nan 0.000 0.420 250 L N 0.250 121.466 121.223 -0.012 0.000 2.554 250 L HA 0.059 4.413 4.340 0.024 0.000 0.226 250 L C 2.554 179.316 176.870 -0.181 0.000 1.137 250 L CA 0.406 55.187 54.840 -0.099 0.000 0.863 250 L CB -0.829 41.214 42.059 -0.026 0.000 0.985 250 L HN 0.271 nan 8.230 nan 0.000 0.451 251 G N 1.924 110.666 108.800 -0.097 0.000 2.649 251 G HA2 -0.283 3.691 3.960 0.024 0.000 0.220 251 G HA3 -0.283 3.691 3.960 0.024 0.000 0.220 251 G C -0.634 174.183 174.900 -0.138 0.000 1.189 251 G CA 1.118 46.161 45.100 -0.095 0.000 0.777 251 G HN 0.313 nan 8.290 nan 0.000 0.602 252 P HA -0.044 nan 4.420 nan 0.000 0.215 252 P C 2.127 179.300 177.300 -0.212 0.000 1.157 252 P CA 0.805 63.822 63.100 -0.139 0.000 0.868 252 P CB -0.163 31.470 31.700 -0.112 0.000 0.788 253 L N -0.731 120.291 121.223 -0.334 0.000 2.093 253 L HA -0.142 4.212 4.340 0.024 0.000 0.208 253 L C 2.549 179.024 176.870 -0.657 0.000 1.085 253 L CA 1.812 56.335 54.840 -0.528 0.000 0.755 253 L CB -0.986 40.609 42.059 -0.773 0.000 0.904 253 L HN 0.105 nan 8.230 nan 0.000 0.435 254 S N -0.006 115.322 115.700 -0.620 0.000 2.368 254 S HA -0.140 4.344 4.470 0.024 0.000 0.224 254 S C 2.194 176.699 174.600 -0.158 0.000 1.029 254 S CA 0.762 58.777 58.200 -0.308 0.000 0.988 254 S CB -0.518 62.602 63.200 -0.135 0.000 0.838 254 S HN 0.338 nan 8.310 nan 0.000 0.462 255 A N 2.552 125.279 122.820 -0.154 0.000 1.908 255 A HA -0.196 4.138 4.320 0.024 0.000 0.218 255 A C 2.422 179.944 177.584 -0.102 0.000 1.181 255 A CA 1.795 53.770 52.037 -0.103 0.000 0.627 255 A CB -0.966 17.987 19.000 -0.079 0.000 0.818 255 A HN 0.834 nan 8.150 nan 0.000 0.445 256 Q N -0.338 119.394 119.800 -0.114 0.000 2.245 256 Q HA -0.093 4.261 4.340 0.024 0.000 0.201 256 Q C 1.608 177.562 176.000 -0.077 0.000 0.955 256 Q CA 1.913 57.668 55.803 -0.081 0.000 0.870 256 Q CB -0.683 28.008 28.738 -0.078 0.000 0.945 256 Q HN 0.586 nan 8.270 nan 0.000 0.461 257 T N -3.988 110.518 114.554 -0.079 0.000 3.054 257 T HA 0.304 4.669 4.350 0.024 0.000 0.259 257 T C 1.476 176.124 174.700 -0.087 0.000 1.092 257 T CA 0.354 62.425 62.100 -0.049 0.000 1.121 257 T CB 0.156 69.062 68.868 0.063 0.000 0.912 257 T HN 0.623 nan 8.240 nan 0.000 0.489 258 G N 1.640 110.379 108.800 -0.102 0.000 2.143 258 G HA2 -0.166 3.808 3.960 0.024 0.000 0.248 258 G HA3 -0.166 3.808 3.960 0.024 0.000 0.248 258 G C -0.072 174.771 174.900 -0.094 0.000 0.991 258 G CA 0.002 45.017 45.100 -0.141 0.000 0.689 258 G HN 0.563 nan 8.290 nan 0.000 0.522 259 I N 1.238 121.797 120.570 -0.019 0.000 2.359 259 I HA 0.612 4.796 4.170 0.024 0.000 0.284 259 I C 0.981 177.144 176.117 0.077 0.000 1.018 259 I CA -1.084 60.219 61.300 0.005 0.000 1.173 259 I CB 0.526 38.530 38.000 0.007 0.000 1.326 259 I HN 0.344 nan 8.210 nan 0.000 0.462 260 A N 5.701 128.519 122.820 -0.004 0.000 2.520 260 A HA 0.255 4.589 4.320 0.024 0.000 0.235 260 A C 1.471 179.084 177.584 0.049 0.000 1.065 260 A CA -0.123 51.919 52.037 0.009 0.000 0.764 260 A CB 0.483 19.460 19.000 -0.038 0.000 1.002 260 A HN 0.588 nan 8.150 nan 0.000 0.502 261 V N 2.584 122.544 119.914 0.076 0.000 2.252 261 V HA -0.284 3.851 4.120 0.024 0.000 0.249 261 V C 2.423 178.504 176.094 -0.021 0.000 1.056 261 V CA 2.439 64.788 62.300 0.081 0.000 1.022 261 V CB -0.922 30.935 31.823 0.056 0.000 0.641 261 V HN 0.806 nan 8.190 nan 0.000 0.445 262 L N -0.334 120.870 121.223 -0.032 0.000 2.353 262 L HA -0.182 4.172 4.340 0.024 0.000 0.220 262 L C 2.087 178.924 176.870 -0.056 0.000 1.133 262 L CA 1.242 56.055 54.840 -0.045 0.000 0.798 262 L CB -0.540 41.512 42.059 -0.012 0.000 0.922 262 L HN 0.382 nan 8.230 nan 0.000 0.445 263 D N -0.635 119.716 120.400 -0.081 0.000 2.194 263 D HA -0.157 4.497 4.640 0.024 0.000 0.204 263 D C 2.027 178.252 176.300 -0.124 0.000 0.964 263 D CA 0.794 54.718 54.000 -0.127 0.000 0.846 263 D CB 0.201 40.907 40.800 -0.156 0.000 0.962 263 D HN 0.081 nan 8.370 nan 0.000 0.490 264 M N -0.384 119.137 119.600 -0.132 0.000 2.236 264 M HA -0.036 4.458 4.480 0.024 0.000 0.266 264 M C 1.765 177.992 176.300 -0.122 0.000 1.070 264 M CA 1.179 56.368 55.300 -0.185 0.000 1.137 264 M CB -0.262 32.129 32.600 -0.348 0.000 1.378 264 M HN 0.057 nan 8.290 nan 0.000 0.426 265 C N 0.260 119.473 119.300 -0.145 0.000 2.419 265 C HA -0.000 4.474 4.460 0.024 0.000 0.281 265 C C 2.839 177.923 174.990 0.157 0.000 1.336 265 C CA 0.699 59.615 59.018 -0.169 0.000 1.770 265 C CB -2.031 25.418 27.740 -0.485 0.000 1.929 265 C HN 0.692 nan 8.230 nan 0.000 0.509 266 A N 0.828 123.691 122.820 0.071 0.000 1.902 266 A HA 0.052 4.387 4.320 0.024 0.000 0.217 266 A C 2.384 180.011 177.584 0.072 0.000 1.181 266 A CA 2.071 54.161 52.037 0.088 0.000 0.623 266 A CB -0.798 18.213 19.000 0.019 0.000 0.818 266 A HN 0.567 nan 8.150 nan 0.000 0.443 267 A N -0.687 122.154 122.820 0.035 0.000 1.897 267 A HA 0.051 4.386 4.320 0.024 0.000 0.215 267 A C 2.089 179.699 177.584 0.043 0.000 1.181 267 A CA 1.603 53.669 52.037 0.048 0.000 0.620 267 A CB -0.570 18.500 19.000 0.117 0.000 0.821 267 A HN 0.661 nan 8.150 nan 0.000 0.443 268 L N 0.002 121.270 121.223 0.074 0.000 2.083 268 L HA -0.092 4.263 4.340 0.024 0.000 0.209 268 L C 2.145 179.065 176.870 0.083 0.000 1.083 268 L CA 2.438 57.335 54.840 0.095 0.000 0.752 268 L CB -0.736 41.446 42.059 0.205 0.000 0.899 268 L HN 0.435 nan 8.230 nan 0.000 0.433 269 K N -0.632 119.869 120.400 0.168 0.000 2.032 269 K HA -0.268 4.066 4.320 0.024 0.000 0.209 269 K C 2.124 178.656 176.600 -0.115 0.000 1.048 269 K CA 1.695 57.933 56.287 -0.081 0.000 0.927 269 K CB -0.118 32.371 32.500 -0.019 0.000 0.712 269 K HN 0.332 nan 8.250 nan 0.000 0.441 270 E N 0.931 121.108 120.200 -0.037 0.000 2.051 270 E HA -0.173 4.192 4.350 0.024 0.000 0.192 270 E C 1.840 178.405 176.600 -0.058 0.000 0.991 270 E CA 1.527 57.909 56.400 -0.030 0.000 0.799 270 E CB -0.312 29.400 29.700 0.021 0.000 0.748 270 E HN 0.362 nan 8.360 nan 0.000 0.449 271 L N -0.060 121.123 121.223 -0.067 0.000 2.046 271 L HA -0.165 4.189 4.340 0.024 0.000 0.208 271 L C 2.678 179.445 176.870 -0.173 0.000 1.077 271 L CA 0.973 55.768 54.840 -0.074 0.000 0.747 271 L CB -0.533 41.470 42.059 -0.093 0.000 0.896 271 L HN 0.186 nan 8.230 nan 0.000 0.432 272 L N -0.195 120.841 121.223 -0.312 0.000 2.017 272 L HA -0.225 4.129 4.340 0.024 0.000 0.208 272 L C 2.828 179.214 176.870 -0.806 0.000 1.073 272 L CA 1.651 56.118 54.840 -0.620 0.000 0.745 272 L CB -0.395 41.181 42.059 -0.805 0.000 0.894 272 L HN 0.471 nan 8.230 nan 0.000 0.432 273 Q N -1.703 117.791 119.800 -0.509 0.000 2.398 273 Q HA -0.005 4.349 4.340 0.024 0.000 0.204 273 Q C 0.755 176.700 176.000 -0.091 0.000 0.932 273 Q CA 0.657 56.297 55.803 -0.271 0.000 0.916 273 Q CB 0.131 28.825 28.738 -0.075 0.000 1.024 273 Q HN 0.446 nan 8.270 nan 0.000 0.504 274 N N 0.452 119.101 118.700 -0.084 0.000 2.170 274 N HA 0.174 4.928 4.740 0.024 0.000 0.222 274 N C 0.265 175.780 175.510 0.008 0.000 1.218 274 N CA 0.802 53.844 53.050 -0.013 0.000 0.889 274 N CB 1.666 40.160 38.487 0.011 0.000 1.083 274 N HN 0.352 nan 8.380 nan 0.000 0.520 275 G N 1.646 110.435 108.800 -0.017 0.000 2.697 275 G HA2 -0.301 3.673 3.960 0.024 0.000 0.240 275 G HA3 -0.301 3.673 3.960 0.024 0.000 0.240 275 G C 0.528 175.488 174.900 0.100 0.000 1.346 275 G CA 0.012 45.127 45.100 0.026 0.000 0.887 275 G HN 0.190 nan 8.290 nan 0.000 0.569 276 M N 0.580 120.257 119.600 0.129 0.000 2.428 276 M HA 0.132 4.626 4.480 0.024 0.000 0.239 276 M C 1.342 177.683 176.300 0.067 0.000 1.121 276 M CA 0.802 56.240 55.300 0.229 0.000 1.019 276 M CB -0.092 32.653 32.600 0.241 0.000 1.485 276 M HN 0.986 nan 8.290 nan 0.000 0.484 277 N N 1.682 120.400 118.700 0.030 0.000 2.721 277 N HA -0.200 4.555 4.740 0.024 0.000 0.249 277 N C 0.495 175.952 175.510 -0.087 0.000 1.072 277 N CA 1.303 54.336 53.050 -0.028 0.000 0.710 277 N CB -1.387 37.082 38.487 -0.030 0.000 0.993 277 N HN 0.673 nan 8.380 nan 0.000 0.547 278 G N -1.877 106.885 108.800 -0.063 0.000 2.159 278 G HA2 -0.367 3.607 3.960 0.024 0.000 0.256 278 G HA3 -0.367 3.607 3.960 0.024 0.000 0.256 278 G C 0.504 175.322 174.900 -0.136 0.000 0.977 278 G CA 0.782 45.834 45.100 -0.079 0.000 0.652 278 G HN 0.766 nan 8.290 nan 0.000 0.531 279 R N -0.550 119.813 120.500 -0.228 0.000 2.523 279 R HA 0.871 5.225 4.340 0.024 0.000 0.223 279 R C 0.497 176.757 176.300 -0.066 0.000 1.280 279 R CA 0.249 56.161 56.100 -0.313 0.000 1.047 279 R CB 0.126 29.891 30.300 -0.892 0.000 1.650 279 R HN 0.142 nan 8.270 nan 0.000 0.545 280 T N -0.414 114.152 114.554 0.021 0.000 2.900 280 T HA 0.641 5.005 4.350 0.024 0.000 0.303 280 T C -1.308 173.596 174.700 0.341 0.000 1.142 280 T CA -0.571 61.632 62.100 0.172 0.000 1.007 280 T CB 0.805 69.737 68.868 0.107 0.000 1.156 280 T HN 0.273 nan 8.240 nan 0.000 0.490 281 I N 3.921 124.667 120.570 0.294 0.000 2.468 281 I HA 0.380 4.564 4.170 0.024 0.000 0.284 281 I C -0.021 176.159 176.117 0.106 0.000 1.038 281 I CA -0.627 60.756 61.300 0.138 0.000 1.083 281 I CB 1.456 39.382 38.000 -0.124 0.000 1.223 281 I HN 0.705 nan 8.210 nan 0.000 0.443 282 L N 6.685 127.929 121.223 0.036 0.000 3.678 282 L HA -0.279 4.076 4.340 0.024 0.000 0.425 282 L C 1.233 178.233 176.870 0.217 0.000 1.240 282 L CA 0.803 55.694 54.840 0.085 0.000 0.876 282 L CB -1.317 40.752 42.059 0.016 0.000 1.766 282 L HN 1.124 nan 8.230 nan 0.000 0.917 283 G N -0.991 107.913 108.800 0.174 0.000 2.175 283 G HA2 -0.346 3.628 3.960 0.024 0.000 0.265 283 G HA3 -0.346 3.628 3.960 0.024 0.000 0.265 283 G C 0.267 175.275 174.900 0.179 0.000 0.979 283 G CA 0.704 45.898 45.100 0.157 0.000 0.663 283 G HN 0.633 nan 8.290 nan 0.000 0.533 284 S N -1.006 114.850 115.700 0.259 0.000 2.537 284 S HA 0.692 5.176 4.470 0.024 0.000 0.301 284 S C 1.336 176.067 174.600 0.219 0.000 1.092 284 S CA 0.712 59.058 58.200 0.242 0.000 1.048 284 S CB 1.493 64.892 63.200 0.331 0.000 1.053 284 S HN 0.935 nan 8.310 nan 0.000 0.501 285 T N 0.812 115.448 114.554 0.137 0.000 3.054 285 T HA 0.327 4.691 4.350 0.024 0.000 0.255 285 T C 0.519 175.280 174.700 0.102 0.000 1.035 285 T CA -0.159 62.012 62.100 0.117 0.000 0.941 285 T CB -0.700 68.209 68.868 0.069 0.000 1.026 285 T HN 0.608 nan 8.240 nan 0.000 0.533 286 I N -0.846 119.765 120.570 0.069 0.000 2.569 286 I HA 0.620 4.804 4.170 0.024 0.000 0.296 286 I C -0.938 175.121 176.117 -0.096 0.000 1.028 286 I CA -1.879 59.423 61.300 0.004 0.000 1.082 286 I CB 1.314 39.287 38.000 -0.045 0.000 1.264 286 I HN -0.257 nan 8.210 nan 0.000 0.429 287 L N 4.934 126.124 121.223 -0.055 0.000 2.530 287 L HA 0.183 4.537 4.340 0.024 0.000 0.273 287 L C 0.667 177.280 176.870 -0.429 0.000 1.141 287 L CA 0.767 55.533 54.840 -0.123 0.000 0.905 287 L CB -0.960 41.172 42.059 0.120 0.000 1.202 287 L HN 0.581 nan 8.230 nan 0.000 0.473 288 E N 3.220 122.729 120.200 -1.151 0.000 2.316 288 E HA 0.082 4.446 4.350 0.024 0.000 0.275 288 E C 0.147 176.485 176.600 -0.437 0.000 1.029 288 E CA 0.057 55.898 56.400 -0.932 0.000 0.871 288 E CB 1.198 29.976 29.700 -1.536 0.000 1.022 288 E HN 0.520 nan 8.360 nan 0.000 0.418 289 D N 1.794 122.053 120.400 -0.235 0.000 2.673 289 D HA 0.019 4.674 4.640 0.024 0.000 0.278 289 D C -0.045 176.202 176.300 -0.089 0.000 1.393 289 D CA -0.098 53.843 54.000 -0.099 0.000 0.805 289 D CB 0.038 40.761 40.800 -0.128 0.000 1.110 289 D HN 0.295 nan 8.370 nan 0.000 0.476 290 E N 0.222 120.336 120.200 -0.143 0.000 2.585 290 E HA 0.186 4.550 4.350 0.024 0.000 0.206 290 E C -0.762 175.645 176.600 -0.322 0.000 1.007 290 E CA -0.306 55.948 56.400 -0.242 0.000 1.028 290 E CB 0.424 29.918 29.700 -0.342 0.000 1.087 290 E HN 0.184 nan 8.360 nan 0.000 0.455 291 F N 1.299 121.249 119.950 0.000 0.000 2.460 291 F HA 0.152 4.693 4.527 0.024 0.000 0.341 291 F C 0.968 176.837 175.800 0.116 0.000 1.130 291 F CA -0.901 57.159 58.000 0.099 0.000 0.962 291 F CB 1.484 40.651 39.000 0.277 0.000 1.171 291 F HN -0.179 nan 8.300 nan 0.000 0.436 292 T N 0.543 115.257 114.554 0.268 0.000 2.816 292 T HA 0.263 4.627 4.350 0.024 0.000 0.282 292 T C -2.026 172.831 174.700 0.262 0.000 0.993 292 T CA -1.759 60.466 62.100 0.208 0.000 0.994 292 T CB 1.367 70.325 68.868 0.149 0.000 1.025 292 T HN 0.208 nan 8.240 nan 0.000 0.529 293 P HA -0.042 nan 4.420 nan 0.000 0.215 293 P C 1.275 178.700 177.300 0.208 0.000 1.153 293 P CA 0.830 64.031 63.100 0.169 0.000 0.853 293 P CB -0.152 31.614 31.700 0.109 0.000 0.788 294 F N 1.058 121.059 119.950 0.084 0.000 2.065 294 F HA -0.275 4.265 4.527 0.023 0.000 0.298 294 F C 1.692 177.555 175.800 0.104 0.000 1.112 294 F CA 1.743 59.791 58.000 0.081 0.000 1.212 294 F CB -0.554 38.493 39.000 0.078 0.000 0.975 294 F HN -0.139 nan 8.300 nan 0.000 0.476 295 D N 0.447 121.170 120.400 0.538 0.000 2.116 295 D HA -0.216 4.439 4.640 0.024 0.000 0.193 295 D C 2.458 178.964 176.300 0.343 0.000 0.998 295 D CA 2.260 56.512 54.000 0.421 0.000 0.836 295 D CB -1.104 39.928 40.800 0.386 0.000 0.951 295 D HN 0.397 nan 8.370 nan 0.000 0.449 296 V N -0.895 119.241 119.914 0.369 0.000 2.343 296 V HA -0.172 3.962 4.120 0.024 0.000 0.247 296 V C 2.376 178.579 176.094 0.182 0.000 1.051 296 V CA 1.198 63.710 62.300 0.354 0.000 1.036 296 V CB -1.050 30.890 31.823 0.196 0.000 0.654 296 V HN 0.054 nan 8.190 nan 0.000 0.451 297 V N 0.824 120.773 119.914 0.057 0.000 2.626 297 V HA -0.170 3.964 4.120 0.024 0.000 0.252 297 V C 2.889 178.937 176.094 -0.078 0.000 1.067 297 V CA 2.318 64.589 62.300 -0.048 0.000 1.081 297 V CB -0.870 30.878 31.823 -0.125 0.000 0.686 297 V HN 0.668 nan 8.190 nan 0.000 0.468 298 R N -0.187 120.260 120.500 -0.089 0.000 2.096 298 R HA -0.200 4.154 4.340 0.024 0.000 0.235 298 R C 2.148 178.444 176.300 -0.007 0.000 1.127 298 R CA 1.930 57.976 56.100 -0.090 0.000 0.968 298 R CB -0.103 30.180 30.300 -0.028 0.000 0.861 298 R HN 0.534 nan 8.270 nan 0.000 0.440 299 Q N -1.138 118.702 119.800 0.068 0.000 2.339 299 Q HA 0.073 4.427 4.340 0.024 0.000 0.205 299 Q C 0.094 176.168 176.000 0.123 0.000 0.925 299 Q CA 0.487 56.351 55.803 0.102 0.000 0.898 299 Q CB 0.916 29.733 28.738 0.132 0.000 1.013 299 Q HN 0.348 nan 8.270 nan 0.000 0.504 300 C N 2.082 121.443 119.300 0.102 0.000 2.878 300 C HA 0.382 4.856 4.460 0.024 0.000 0.313 300 C C 0.462 175.445 174.990 -0.011 0.000 1.397 300 C CA -1.201 57.841 59.018 0.039 0.000 1.636 300 C CB -1.195 26.541 27.740 -0.007 0.000 2.075 300 C HN 0.253 nan 8.230 nan 0.000 0.518 301 S N 0.422 116.112 115.700 -0.016 0.000 2.632 301 S HA 0.825 5.310 4.470 0.024 0.000 0.267 301 S C 0.390 174.970 174.600 -0.034 0.000 1.276 301 S CA -0.041 58.136 58.200 -0.039 0.000 0.998 301 S CB 1.743 64.916 63.200 -0.045 0.000 0.953 301 S HN 0.753 nan 8.310 nan 0.000 0.547 302 G N -0.772 108.001 108.800 -0.045 0.000 3.183 302 G HA2 0.666 4.640 3.960 0.024 0.000 0.247 302 G HA3 0.666 4.640 3.960 0.024 0.000 0.247 302 G C -1.374 173.489 174.900 -0.062 0.000 1.211 302 G CA -0.622 44.455 45.100 -0.039 0.000 0.835 302 G HN 0.777 nan 8.290 nan 0.000 0.604 303 V N -0.998 118.869 119.914 -0.079 0.000 3.102 303 V HA 0.764 4.898 4.120 0.024 0.000 0.312 303 V C -0.689 175.285 176.094 -0.200 0.000 1.135 303 V CA -0.502 61.696 62.300 -0.171 0.000 1.022 303 V CB 2.591 34.268 31.823 -0.244 0.000 1.056 303 V HN 0.759 nan 8.190 nan 0.000 0.436 304 T N 3.234 117.624 114.554 -0.274 0.000 2.815 304 T HA 0.534 4.898 4.350 0.024 0.000 0.289 304 T C -0.753 173.773 174.700 -0.289 0.000 1.000 304 T CA -0.022 61.971 62.100 -0.178 0.000 0.958 304 T CB 0.428 69.247 68.868 -0.082 0.000 0.944 304 T HN 0.279 nan 8.240 nan 0.000 0.442 305 F N 2.223 122.228 119.950 0.092 0.000 2.456 305 F HA 0.210 4.751 4.527 0.024 0.000 0.358 305 F C 1.667 177.563 175.800 0.159 0.000 1.095 305 F CA -0.180 57.914 58.000 0.155 0.000 1.216 305 F CB 0.805 39.968 39.000 0.272 0.000 1.125 305 F HN 0.499 nan 8.300 nan 0.000 0.549 306 Q N 2.338 122.238 119.800 0.167 0.000 2.225 306 Q HA 0.234 4.588 4.340 0.024 0.000 0.259 306 Q C 0.617 176.639 176.000 0.038 0.000 0.872 306 Q CA -0.470 55.388 55.803 0.092 0.000 1.042 306 Q CB 0.686 29.439 28.738 0.025 0.000 1.142 306 Q HN 0.860 nan 8.270 nan 0.000 0.463 307 G N 0.630 109.425 108.800 -0.008 0.000 2.502 307 G HA2 0.244 4.218 3.960 0.024 0.000 0.305 307 G HA3 0.244 4.218 3.960 0.024 0.000 0.305 307 G C -0.922 173.830 174.900 -0.247 0.000 1.190 307 G CA -0.445 44.546 45.100 -0.181 0.000 0.933 307 G HN 0.023 nan 8.290 nan 0.000 0.503 308 K N 0.724 120.976 120.400 -0.247 0.000 2.281 308 K HA 0.363 4.697 4.320 0.024 0.000 0.272 308 K C -0.989 175.485 176.600 -0.210 0.000 1.048 308 K CA -0.407 55.795 56.287 -0.141 0.000 0.898 308 K CB 0.384 32.850 32.500 -0.056 0.000 1.128 308 K HN 0.261 nan 8.250 nan 0.000 0.460 309 F N 2.776 122.733 119.950 0.011 0.000 2.378 309 F HA 0.303 4.844 4.527 0.024 0.000 0.325 309 F C 1.308 177.107 175.800 -0.002 0.000 1.097 309 F CA -0.380 57.621 58.000 0.001 0.000 1.079 309 F CB 0.585 39.585 39.000 -0.001 0.000 1.240 309 F HN 0.465 nan 8.300 nan 0.000 0.519 310 K N 0.000 120.520 120.400 0.201 0.000 2.780 310 K HA 0.000 4.334 4.320 0.024 0.000 0.191 310 K CA 0.000 56.350 56.287 0.106 0.000 0.838 310 K CB 0.000 32.549 32.500 0.081 0.000 1.064 310 K HN 0.000 nan 8.250 nan 0.000 0.543