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 3g5h_1_A DATA FIRST_RESID 3 DATA SEQUENCE ATVLLEVPFS ARGDRIPDAV AELRTREPIR KVRTITGAEA WLVSSYALCT DATA SEQUENCE QVLEDRRFSM KETAAAGAPR LNALTVPPEV VNNMGNIADA GLRKAVMKAI DATA SEQUENCE TPKAPGLEQF LRDTANSLLD NLITEGAPAD LRNDFADPLA TALHCKVLGI DATA SEQUENCE PQEDGPKLFR SLSIAFMSSA DPIPAAKINW DRDIEYMAGI LENPNITTGL DATA SEQUENCE MGELSRLRKD PAYSHVSDEL FATIGVTFFG AGVISTGSFL TTALISLIQR DATA SEQUENCE PQLRNLLHEK PELIPAGVEE LLRINLSFAD GLPRLATADI QVGDVLVRKG DATA SEQUENCE ELVLVLLEGA NFDPEHFPNP GSIELDRPNP TSHLAFGRGQ HFCPGSALGR DATA SEQUENCE RHAQIGIEAL LKKMPGVDLA VPIDQLVWRT RFQRRIPERL PVLW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.581 177.584 -0.005 0.000 1.274 3 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 3 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 4 T N -0.901 113.650 114.554 -0.005 0.000 2.924 4 T HA 0.816 5.146 4.350 -0.033 0.000 0.291 4 T C 0.296 174.992 174.700 -0.006 0.000 1.045 4 T CA -0.174 61.923 62.100 -0.006 0.000 1.015 4 T CB 1.084 69.948 68.868 -0.007 0.000 1.103 4 T HN 2.048 nan 8.240 nan 0.000 0.496 5 V N 0.673 120.583 119.914 -0.006 0.000 3.083 5 V HA 0.619 4.719 4.120 -0.033 0.000 0.306 5 V C 0.517 176.607 176.094 -0.007 0.000 1.077 5 V CA -1.249 61.047 62.300 -0.008 0.000 1.073 5 V CB 0.405 32.224 31.823 -0.007 0.000 1.081 5 V HN 0.952 nan 8.190 nan 0.000 0.474 6 L N 2.947 124.163 121.223 -0.013 0.000 2.559 6 L HA 0.207 4.527 4.340 -0.033 0.000 0.282 6 L C 0.166 177.037 176.870 0.001 0.000 1.232 6 L CA 0.125 54.957 54.840 -0.015 0.000 0.885 6 L CB -0.033 42.005 42.059 -0.036 0.000 1.131 6 L HN 0.859 nan 8.230 nan 0.000 0.498 7 L N 5.211 126.444 121.223 0.016 0.000 2.640 7 L HA -0.020 4.300 4.340 -0.033 0.000 0.280 7 L C 0.076 176.992 176.870 0.076 0.000 1.229 7 L CA 0.979 55.853 54.840 0.056 0.000 0.919 7 L CB -0.243 41.867 42.059 0.085 0.000 1.168 7 L HN 0.721 nan 8.230 nan 0.000 0.496 8 E N 3.901 124.161 120.200 0.101 0.000 2.204 8 E HA 0.560 4.890 4.350 -0.033 0.000 0.276 8 E C -0.844 175.826 176.600 0.117 0.000 0.974 8 E CA -0.830 55.617 56.400 0.077 0.000 0.815 8 E CB 1.842 31.572 29.700 0.050 0.000 1.119 8 E HN 0.560 nan 8.360 nan 0.000 0.393 9 V N -0.140 119.772 119.914 -0.003 0.000 2.769 9 V HA 0.644 4.744 4.120 -0.033 0.000 0.312 9 V C -2.377 173.662 176.094 -0.091 0.000 1.058 9 V CA -2.266 59.953 62.300 -0.134 0.000 0.952 9 V CB 1.245 32.913 31.823 -0.259 0.000 1.019 9 V HN 0.573 nan 8.190 nan 0.000 0.445 10 P HA 0.412 nan 4.420 nan 0.000 0.278 10 P C 0.326 177.580 177.300 -0.076 0.000 1.266 10 P CA -0.343 62.623 63.100 -0.223 0.000 0.807 10 P CB 1.120 32.739 31.700 -0.135 0.000 1.094 11 F N -0.740 119.194 119.950 -0.027 0.000 2.149 11 F HA 0.014 4.522 4.527 -0.032 0.000 0.294 11 F C 1.587 177.360 175.800 -0.044 0.000 1.095 11 F CA 0.676 58.654 58.000 -0.037 0.000 1.276 11 F CB 0.121 39.092 39.000 -0.048 0.000 1.023 11 F HN 0.286 nan 8.300 nan 0.000 0.480 12 S N -1.159 114.616 115.700 0.125 0.000 2.543 12 S HA 0.591 5.041 4.470 -0.033 0.000 0.273 12 S C 0.062 174.644 174.600 -0.030 0.000 1.152 12 S CA -0.339 57.876 58.200 0.025 0.000 0.910 12 S CB 1.615 64.802 63.200 -0.022 0.000 1.105 12 S HN 0.146 nan 8.310 nan 0.000 0.465 13 A N 3.741 126.549 122.820 -0.019 0.000 2.206 13 A HA 0.242 4.542 4.320 -0.033 0.000 0.211 13 A C 0.944 178.425 177.584 -0.171 0.000 1.158 13 A CA 0.289 52.326 52.037 -0.000 0.000 0.761 13 A CB -0.265 18.802 19.000 0.112 0.000 0.801 13 A HN 0.761 nan 8.150 nan 0.000 0.473 14 R N -0.379 119.876 120.500 -0.408 0.000 2.449 14 R HA 0.231 4.551 4.340 -0.033 0.000 0.296 14 R C 1.052 176.712 176.300 -1.066 0.000 1.047 14 R CA 0.436 55.869 56.100 -1.110 0.000 1.018 14 R CB 0.430 30.278 30.300 -0.754 0.000 0.962 14 R HN 0.253 nan 8.270 nan 0.000 0.428 15 G N 1.720 109.394 108.800 -1.877 0.000 3.337 15 G HA2 -0.095 3.845 3.960 -0.033 0.000 0.246 15 G HA3 -0.095 3.845 3.960 -0.033 0.000 0.246 15 G C 0.405 175.030 174.900 -0.459 0.000 1.131 15 G CA -0.237 44.357 45.100 -0.842 0.000 0.773 15 G HN 0.705 nan 8.290 nan 0.000 0.544 16 D N -0.054 120.037 120.400 -0.514 0.000 2.398 16 D HA 0.063 4.683 4.640 -0.033 0.000 0.210 16 D C 0.881 177.128 176.300 -0.088 0.000 1.094 16 D CA -0.301 53.641 54.000 -0.097 0.000 0.839 16 D CB 0.330 41.193 40.800 0.105 0.000 0.963 16 D HN 0.516 nan 8.370 nan 0.000 0.506 17 R N -0.599 119.796 120.500 -0.174 0.000 2.629 17 R HA 0.517 4.837 4.340 -0.033 0.000 0.266 17 R C -1.524 174.665 176.300 -0.184 0.000 1.051 17 R CA -0.930 55.093 56.100 -0.128 0.000 0.895 17 R CB 0.918 31.158 30.300 -0.100 0.000 1.246 17 R HN -0.028 nan 8.270 nan 0.000 0.459 18 I N 3.058 123.496 120.570 -0.221 0.000 2.365 18 I HA 0.342 4.492 4.170 -0.033 0.000 0.291 18 I C -1.954 174.052 176.117 -0.185 0.000 1.004 18 I CA -2.223 58.898 61.300 -0.298 0.000 1.311 18 I CB 1.554 39.167 38.000 -0.645 0.000 1.401 18 I HN 0.591 nan 8.210 nan 0.000 0.491 19 P HA 0.111 nan 4.420 nan 0.000 0.268 19 P C -0.178 177.058 177.300 -0.107 0.000 1.205 19 P CA -0.143 62.900 63.100 -0.094 0.000 0.771 19 P CB 0.523 32.195 31.700 -0.046 0.000 0.858 20 D N 1.810 122.149 120.400 -0.102 0.000 2.221 20 D HA -0.164 4.456 4.640 -0.033 0.000 0.204 20 D C 1.850 178.085 176.300 -0.108 0.000 0.982 20 D CA 1.584 55.531 54.000 -0.088 0.000 0.857 20 D CB -0.414 40.341 40.800 -0.075 0.000 0.934 20 D HN 0.404 nan 8.370 nan 0.000 0.475 21 A N 0.343 123.054 122.820 -0.182 0.000 1.972 21 A HA -0.143 4.157 4.320 -0.033 0.000 0.219 21 A C 2.468 179.961 177.584 -0.153 0.000 1.169 21 A CA 1.021 52.898 52.037 -0.267 0.000 0.635 21 A CB -0.545 18.088 19.000 -0.612 0.000 0.810 21 A HN 0.166 nan 8.150 nan 0.000 0.446 22 V N -0.256 119.628 119.914 -0.051 0.000 2.295 22 V HA -0.253 3.847 4.120 -0.033 0.000 0.246 22 V C 3.039 179.159 176.094 0.044 0.000 1.049 22 V CA 1.982 64.324 62.300 0.070 0.000 1.024 22 V CB -1.226 30.634 31.823 0.062 0.000 0.648 22 V HN 0.605 nan 8.190 nan 0.000 0.447 23 A N -0.398 122.430 122.820 0.013 0.000 1.969 23 A HA -0.221 4.079 4.320 -0.033 0.000 0.218 23 A C 2.134 179.733 177.584 0.024 0.000 1.169 23 A CA 1.759 53.816 52.037 0.034 0.000 0.635 23 A CB -0.430 18.590 19.000 0.033 0.000 0.810 23 A HN 0.646 nan 8.150 nan 0.000 0.445 24 E N -0.501 119.696 120.200 -0.006 0.000 2.051 24 E HA -0.187 4.143 4.350 -0.033 0.000 0.192 24 E C 1.827 178.431 176.600 0.008 0.000 0.991 24 E CA 1.260 57.653 56.400 -0.012 0.000 0.799 24 E CB -0.276 29.395 29.700 -0.047 0.000 0.748 24 E HN 0.436 nan 8.360 nan 0.000 0.449 25 L N 0.857 122.089 121.223 0.015 0.000 2.017 25 L HA -0.172 4.147 4.340 -0.033 0.000 0.208 25 L C 2.463 179.372 176.870 0.064 0.000 1.073 25 L CA 1.620 56.491 54.840 0.052 0.000 0.745 25 L CB -0.453 41.667 42.059 0.103 0.000 0.894 25 L HN 0.023 nan 8.230 nan 0.000 0.432 26 R N -1.253 119.289 120.500 0.070 0.000 2.081 26 R HA -0.157 4.163 4.340 -0.033 0.000 0.235 26 R C 2.053 178.390 176.300 0.061 0.000 1.131 26 R CA 1.936 58.081 56.100 0.075 0.000 0.960 26 R CB -0.233 30.123 30.300 0.092 0.000 0.856 26 R HN 0.332 nan 8.270 nan 0.000 0.436 27 T N 0.174 114.758 114.554 0.051 0.000 2.770 27 T HA -0.041 4.289 4.350 -0.033 0.000 0.263 27 T C 1.770 176.491 174.700 0.035 0.000 1.039 27 T CA 1.269 63.394 62.100 0.041 0.000 1.142 27 T CB -0.030 68.858 68.868 0.033 0.000 0.868 27 T HN 0.354 nan 8.240 nan 0.000 0.435 28 R N 1.107 121.626 120.500 0.033 0.000 2.156 28 R HA 0.125 4.445 4.340 -0.033 0.000 0.207 28 R C 0.614 176.937 176.300 0.038 0.000 1.040 28 R CA 0.710 56.828 56.100 0.030 0.000 1.013 28 R CB 0.367 30.681 30.300 0.023 0.000 0.931 28 R HN 0.524 nan 8.270 nan 0.000 0.465 29 E N 0.042 120.272 120.200 0.049 0.000 3.079 29 E HA 0.144 4.473 4.350 -0.033 0.000 0.329 29 E C -2.510 174.134 176.600 0.073 0.000 1.166 29 E CA -1.334 55.103 56.400 0.062 0.000 0.876 29 E CB 1.282 31.027 29.700 0.076 0.000 1.479 29 E HN -0.056 nan 8.360 nan 0.000 0.384 30 P HA -0.010 nan 4.420 nan 0.000 0.234 30 P C 0.451 177.783 177.300 0.053 0.000 1.167 30 P CA 0.616 63.751 63.100 0.057 0.000 0.763 30 P CB 0.504 32.230 31.700 0.044 0.000 0.835 31 I N 0.191 120.795 120.570 0.056 0.000 2.478 31 I HA 0.487 4.637 4.170 -0.033 0.000 0.287 31 I C -0.963 175.275 176.117 0.200 0.000 1.042 31 I CA -1.253 60.100 61.300 0.088 0.000 1.067 31 I CB 1.351 39.333 38.000 -0.030 0.000 1.233 31 I HN -0.192 nan 8.210 nan 0.000 0.431 32 R N 4.774 125.470 120.500 0.326 0.000 2.710 32 R HA 0.575 4.895 4.340 -0.033 0.000 0.270 32 R C -1.718 174.774 176.300 0.321 0.000 1.021 32 R CA -1.092 55.234 56.100 0.377 0.000 0.889 32 R CB 0.860 31.281 30.300 0.203 0.000 1.243 32 R HN 0.337 nan 8.270 nan 0.000 0.464 33 K N 0.865 121.321 120.400 0.093 0.000 2.249 33 K HA 0.495 4.795 4.320 -0.033 0.000 0.280 33 K C -0.559 175.961 176.600 -0.134 0.000 1.033 33 K CA -0.119 55.981 56.287 -0.311 0.000 0.946 33 K CB 1.225 33.420 32.500 -0.508 0.000 1.005 33 K HN 0.622 nan 8.250 nan 0.000 0.469 34 V N 0.429 120.244 119.914 -0.164 0.000 3.160 34 V HA 0.658 4.758 4.120 -0.033 0.000 0.310 34 V C -1.115 174.914 176.094 -0.109 0.000 1.181 34 V CA -1.199 61.056 62.300 -0.075 0.000 1.047 34 V CB 1.894 33.707 31.823 -0.017 0.000 1.068 34 V HN 0.781 nan 8.190 nan 0.000 0.441 35 R N 1.088 121.550 120.500 -0.063 0.000 2.445 35 R HA 0.673 4.993 4.340 -0.033 0.000 0.308 35 R C 0.087 176.356 176.300 -0.053 0.000 0.961 35 R CA 0.243 56.304 56.100 -0.066 0.000 0.862 35 R CB 1.793 32.064 30.300 -0.048 0.000 1.144 35 R HN 1.183 nan 8.270 nan 0.000 0.447 36 T N 1.036 115.553 114.554 -0.061 0.000 2.824 36 T HA 0.178 4.508 4.350 -0.033 0.000 0.277 36 T C 1.811 176.487 174.700 -0.040 0.000 0.975 36 T CA -0.640 61.427 62.100 -0.054 0.000 0.966 36 T CB 0.577 69.410 68.868 -0.058 0.000 1.054 36 T HN 0.688 nan 8.240 nan 0.000 0.533 37 I N -1.076 119.473 120.570 -0.035 0.000 2.567 37 I HA -0.041 4.109 4.170 -0.033 0.000 0.257 37 I C 2.116 178.218 176.117 -0.025 0.000 1.184 37 I CA 1.567 62.853 61.300 -0.024 0.000 1.451 37 I CB -1.156 36.833 38.000 -0.019 0.000 1.089 37 I HN 0.821 nan 8.210 nan 0.000 0.441 38 T N -2.117 112.417 114.554 -0.032 0.000 3.113 38 T HA 0.373 4.703 4.350 -0.033 0.000 0.256 38 T C 1.619 176.301 174.700 -0.031 0.000 1.131 38 T CA 0.528 62.609 62.100 -0.031 0.000 1.074 38 T CB 0.093 68.940 68.868 -0.036 0.000 0.944 38 T HN 0.758 nan 8.240 nan 0.000 0.516 39 G N 1.001 109.781 108.800 -0.033 0.000 2.195 39 G HA2 -0.059 3.881 3.960 -0.033 0.000 0.246 39 G HA3 -0.059 3.881 3.960 -0.033 0.000 0.246 39 G C 0.360 175.233 174.900 -0.045 0.000 0.984 39 G CA -0.097 44.982 45.100 -0.035 0.000 0.633 39 G HN 1.185 nan 8.290 nan 0.000 0.525 40 A N 0.167 122.957 122.820 -0.050 0.000 2.386 40 A HA 0.609 4.909 4.320 -0.033 0.000 0.248 40 A C 0.463 177.994 177.584 -0.087 0.000 1.082 40 A CA 0.308 52.307 52.037 -0.062 0.000 0.789 40 A CB 0.318 19.285 19.000 -0.056 0.000 1.025 40 A HN 0.490 nan 8.150 nan 0.000 0.490 41 E N -0.363 119.767 120.200 -0.116 0.000 2.283 41 E HA 0.578 4.908 4.350 -0.033 0.000 0.271 41 E C -0.159 176.308 176.600 -0.222 0.000 1.031 41 E CA -0.163 56.126 56.400 -0.184 0.000 0.868 41 E CB 1.645 31.206 29.700 -0.232 0.000 1.094 41 E HN 0.828 nan 8.360 nan 0.000 0.401 42 A N 1.858 124.501 122.820 -0.295 0.000 2.609 42 A HA 0.499 4.799 4.320 -0.033 0.000 0.291 42 A C -2.084 175.275 177.584 -0.375 0.000 1.096 42 A CA -0.806 51.073 52.037 -0.263 0.000 0.684 42 A CB 0.772 19.707 19.000 -0.107 0.000 1.282 42 A HN 0.610 nan 8.150 nan 0.000 0.412 43 W N 0.588 121.881 121.300 -0.012 0.000 2.335 43 W HA 0.562 5.216 4.660 -0.009 0.000 0.307 43 W C -0.260 176.235 176.519 -0.041 0.000 1.117 43 W CA -0.229 57.106 57.345 -0.018 0.000 1.228 43 W CB 1.570 31.020 29.460 -0.018 0.000 1.240 43 W HN 0.533 nan 8.180 nan 0.000 0.468 44 L N 5.514 126.856 121.223 0.198 0.000 2.264 44 L HA 0.566 4.886 4.340 -0.033 0.000 0.289 44 L C -0.635 176.297 176.870 0.103 0.000 1.044 44 L CA -0.510 54.387 54.840 0.095 0.000 0.807 44 L CB 0.754 42.847 42.059 0.058 0.000 1.192 44 L HN 0.179 nan 8.230 nan 0.000 0.425 45 V N 4.616 124.553 119.914 0.038 0.000 2.398 45 V HA 0.459 4.559 4.120 -0.033 0.000 0.286 45 V C 0.559 176.660 176.094 0.011 0.000 1.026 45 V CA 0.291 62.596 62.300 0.008 0.000 0.868 45 V CB 1.274 33.059 31.823 -0.065 0.000 0.982 45 V HN 0.944 nan 8.190 nan 0.000 0.443 46 S N 1.045 116.767 115.700 0.038 0.000 2.847 46 S HA 0.179 4.629 4.470 -0.033 0.000 0.254 46 S C 0.485 175.133 174.600 0.080 0.000 1.039 46 S CA 0.071 58.309 58.200 0.064 0.000 1.113 46 S CB 0.371 63.629 63.200 0.097 0.000 1.092 46 S HN 0.787 nan 8.310 nan 0.000 0.620 47 S N 0.313 116.050 115.700 0.061 0.000 2.608 47 S HA 0.559 5.009 4.470 -0.033 0.000 0.291 47 S C 0.514 175.166 174.600 0.086 0.000 1.146 47 S CA -0.685 57.571 58.200 0.092 0.000 1.043 47 S CB 0.869 64.115 63.200 0.077 0.000 1.037 47 S HN 0.215 nan 8.310 nan 0.000 0.520 48 Y N 2.361 122.664 120.300 0.005 0.000 2.128 48 Y HA -0.146 4.385 4.550 -0.032 0.000 0.284 48 Y C 2.539 178.391 175.900 -0.080 0.000 1.154 48 Y CA 2.441 60.504 58.100 -0.061 0.000 1.149 48 Y CB -0.929 37.448 38.460 -0.139 0.000 0.976 48 Y HN 0.892 nan 8.280 nan 0.000 0.505 49 A N 0.027 122.931 122.820 0.141 0.000 1.902 49 A HA -0.168 4.131 4.320 -0.033 0.000 0.217 49 A C 2.263 179.824 177.584 -0.039 0.000 1.181 49 A CA 1.965 54.040 52.037 0.062 0.000 0.623 49 A CB -1.072 17.975 19.000 0.077 0.000 0.818 49 A HN 0.552 nan 8.150 nan 0.000 0.443 50 L N -1.164 120.036 121.223 -0.039 0.000 2.179 50 L HA -0.149 4.170 4.340 -0.033 0.000 0.208 50 L C 2.650 179.445 176.870 -0.126 0.000 1.096 50 L CA 0.697 55.494 54.840 -0.072 0.000 0.779 50 L CB -0.656 41.370 42.059 -0.055 0.000 0.922 50 L HN 0.470 nan 8.230 nan 0.000 0.443 51 C N 0.023 119.238 119.300 -0.143 0.000 2.432 51 C HA -0.176 4.264 4.460 -0.033 0.000 0.277 51 C C 3.122 177.981 174.990 -0.218 0.000 1.249 51 C CA 1.664 60.572 59.018 -0.183 0.000 1.725 51 C CB -0.965 26.665 27.740 -0.184 0.000 2.028 51 C HN 0.664 nan 8.230 nan 0.000 0.477 52 T N -0.631 113.747 114.554 -0.293 0.000 2.746 52 T HA -0.295 4.034 4.350 -0.033 0.000 0.267 52 T C 1.785 176.410 174.700 -0.124 0.000 1.039 52 T CA 1.841 63.788 62.100 -0.256 0.000 1.142 52 T CB -0.618 68.043 68.868 -0.344 0.000 0.866 52 T HN 0.709 nan 8.240 nan 0.000 0.444 53 Q N 0.603 120.345 119.800 -0.096 0.000 2.061 53 Q HA -0.124 4.196 4.340 -0.033 0.000 0.204 53 Q C 2.388 178.386 176.000 -0.004 0.000 0.984 53 Q CA 1.918 57.704 55.803 -0.029 0.000 0.846 53 Q CB -0.331 28.397 28.738 -0.017 0.000 0.902 53 Q HN 0.523 nan 8.270 nan 0.000 0.421 54 V N 1.021 120.862 119.914 -0.122 0.000 2.307 54 V HA -0.258 3.842 4.120 -0.033 0.000 0.245 54 V C 2.325 178.397 176.094 -0.036 0.000 1.045 54 V CA 1.482 63.634 62.300 -0.248 0.000 1.024 54 V CB -0.452 31.039 31.823 -0.554 0.000 0.651 54 V HN 0.396 nan 8.190 nan 0.000 0.449 55 L N -0.383 120.809 121.223 -0.053 0.000 2.275 55 L HA -0.108 4.212 4.340 -0.033 0.000 0.215 55 L C 2.143 179.056 176.870 0.071 0.000 1.119 55 L CA 1.300 56.149 54.840 0.016 0.000 0.790 55 L CB -0.420 41.629 42.059 -0.016 0.000 0.919 55 L HN 0.405 nan 8.230 nan 0.000 0.443 56 E N -0.965 119.268 120.200 0.054 0.000 2.474 56 E HA -0.027 4.303 4.350 -0.033 0.000 0.195 56 E C -0.091 176.561 176.600 0.087 0.000 1.039 56 E CA -0.114 56.320 56.400 0.058 0.000 0.881 56 E CB 0.344 30.057 29.700 0.022 0.000 0.970 56 E HN 0.168 nan 8.360 nan 0.000 0.486 57 D N 0.615 121.108 120.400 0.155 0.000 2.441 57 D HA 0.120 4.740 4.640 -0.033 0.000 0.231 57 D C 0.647 177.045 176.300 0.163 0.000 1.073 57 D CA -0.360 53.735 54.000 0.159 0.000 0.850 57 D CB 0.614 41.557 40.800 0.238 0.000 1.062 57 D HN -0.135 nan 8.370 nan 0.000 0.524 58 R N 2.299 122.851 120.500 0.087 0.000 2.293 58 R HA -0.012 4.308 4.340 -0.033 0.000 0.219 58 R C 1.511 177.836 176.300 0.042 0.000 1.091 58 R CA 0.592 56.742 56.100 0.084 0.000 1.004 58 R CB 0.278 30.608 30.300 0.049 0.000 0.865 58 R HN 0.359 nan 8.270 nan 0.000 0.469 59 R N -0.242 120.229 120.500 -0.049 0.000 2.237 59 R HA -0.035 4.285 4.340 -0.033 0.000 0.219 59 R C -0.076 176.086 176.300 -0.231 0.000 1.080 59 R CA 0.564 56.565 56.100 -0.166 0.000 0.995 59 R CB 0.019 30.153 30.300 -0.277 0.000 0.875 59 R HN -0.002 nan 8.270 nan 0.000 0.462 60 F N 0.821 120.786 119.950 0.025 0.000 2.405 60 F HA 0.152 4.656 4.527 -0.038 0.000 0.358 60 F C 0.554 176.376 175.800 0.038 0.000 1.151 60 F CA -0.381 57.634 58.000 0.025 0.000 1.161 60 F CB 1.052 40.063 39.000 0.018 0.000 1.245 60 F HN -0.215 nan 8.300 nan 0.000 0.545 61 S N 4.992 120.797 115.700 0.174 0.000 2.462 61 S HA 0.313 4.763 4.470 -0.033 0.000 0.294 61 S C 1.072 175.719 174.600 0.078 0.000 1.144 61 S CA -0.791 57.484 58.200 0.125 0.000 1.088 61 S CB 0.904 64.151 63.200 0.079 0.000 1.009 61 S HN 0.835 nan 8.310 nan 0.000 0.484 62 M N 4.950 124.571 119.600 0.036 0.000 2.098 62 M HA 0.005 4.465 4.480 -0.033 0.000 0.262 62 M C 2.133 178.428 176.300 -0.009 0.000 1.072 62 M CA 1.689 56.939 55.300 -0.082 0.000 1.133 62 M CB -0.457 31.916 32.600 -0.379 0.000 1.344 62 M HN 0.849 nan 8.290 nan 0.000 0.414 63 K N 0.132 120.562 120.400 0.050 0.000 2.089 63 K HA -0.218 4.082 4.320 -0.033 0.000 0.210 63 K C 1.488 178.100 176.600 0.020 0.000 1.048 63 K CA 1.936 58.248 56.287 0.042 0.000 0.926 63 K CB -0.183 32.354 32.500 0.063 0.000 0.714 63 K HN 0.379 nan 8.250 nan 0.000 0.448 64 E N 0.233 120.449 120.200 0.028 0.000 2.347 64 E HA -0.099 4.231 4.350 -0.033 0.000 0.196 64 E C 1.887 178.494 176.600 0.012 0.000 1.008 64 E CA 1.425 57.837 56.400 0.020 0.000 0.852 64 E CB -0.218 29.498 29.700 0.027 0.000 0.783 64 E HN 0.631 nan 8.360 nan 0.000 0.505 65 T N -1.501 113.056 114.554 0.006 0.000 2.929 65 T HA -0.028 4.302 4.350 -0.033 0.000 0.271 65 T C 1.805 176.492 174.700 -0.020 0.000 1.085 65 T CA 1.096 63.193 62.100 -0.006 0.000 1.125 65 T CB -0.057 68.800 68.868 -0.019 0.000 0.874 65 T HN 0.104 nan 8.240 nan 0.000 0.494 66 A N 0.971 123.777 122.820 -0.023 0.000 2.251 66 A HA 0.719 5.019 4.320 -0.033 0.000 0.209 66 A C 1.448 179.016 177.584 -0.026 0.000 1.187 66 A CA 0.184 52.201 52.037 -0.035 0.000 0.823 66 A CB -0.762 18.213 19.000 -0.042 0.000 0.846 66 A HN 0.800 nan 8.150 nan 0.000 0.486 67 A N 0.486 123.298 122.820 -0.014 0.000 2.540 67 A HA 0.497 4.797 4.320 -0.033 0.000 0.239 67 A C 0.897 178.472 177.584 -0.015 0.000 1.061 67 A CA 0.212 52.243 52.037 -0.011 0.000 0.758 67 A CB -0.340 18.658 19.000 -0.002 0.000 0.991 67 A HN 1.411 nan 8.150 nan 0.000 0.502 68 A N 1.865 124.676 122.820 -0.015 0.000 2.540 68 A HA 0.471 4.771 4.320 -0.033 0.000 0.239 68 A C 1.696 179.272 177.584 -0.013 0.000 1.061 68 A CA 0.839 52.866 52.037 -0.017 0.000 0.758 68 A CB -0.669 18.322 19.000 -0.015 0.000 0.991 68 A HN 2.780 nan 8.150 nan 0.000 0.502 69 G N 0.612 109.403 108.800 -0.015 0.000 2.179 69 G HA2 0.128 4.068 3.960 -0.033 0.000 0.260 69 G HA3 0.128 4.068 3.960 -0.033 0.000 0.260 69 G C 0.637 175.532 174.900 -0.009 0.000 0.977 69 G CA 0.563 45.657 45.100 -0.011 0.000 0.641 69 G HN 2.230 nan 8.290 nan 0.000 0.533 70 A N 1.238 124.052 122.820 -0.009 0.000 2.386 70 A HA 0.637 4.937 4.320 -0.033 0.000 0.248 70 A C -1.023 176.554 177.584 -0.011 0.000 1.082 70 A CA -0.343 51.692 52.037 -0.005 0.000 0.789 70 A CB 0.153 19.152 19.000 -0.002 0.000 1.025 70 A HN 0.340 nan 8.150 nan 0.000 0.490 71 P HA 0.190 nan 4.420 nan 0.000 0.267 71 P C -0.803 176.484 177.300 -0.023 0.000 1.205 71 P CA 0.273 63.360 63.100 -0.021 0.000 0.765 71 P CB 0.485 32.171 31.700 -0.024 0.000 0.828 72 R N 2.189 122.669 120.500 -0.033 0.000 2.514 72 R HA 0.259 4.579 4.340 -0.033 0.000 0.301 72 R C 1.095 177.369 176.300 -0.043 0.000 0.962 72 R CA -0.959 55.119 56.100 -0.037 0.000 0.882 72 R CB 1.672 31.947 30.300 -0.041 0.000 1.143 72 R HN 0.322 nan 8.270 nan 0.000 0.452 73 L N 2.731 123.928 121.223 -0.044 0.000 2.027 73 L HA -0.062 4.258 4.340 -0.033 0.000 0.206 73 L C 0.268 177.107 176.870 -0.051 0.000 1.074 73 L CA 1.833 56.644 54.840 -0.049 0.000 0.745 73 L CB -0.251 41.779 42.059 -0.048 0.000 0.898 73 L HN 0.838 nan 8.230 nan 0.000 0.433 74 N N -2.321 116.346 118.700 -0.056 0.000 3.020 74 N HA 0.454 5.174 4.740 -0.033 0.000 0.248 74 N C -1.130 174.340 175.510 -0.067 0.000 1.480 74 N CA -0.447 52.568 53.050 -0.059 0.000 0.874 74 N CB 1.079 39.527 38.487 -0.065 0.000 1.433 74 N HN 0.089 nan 8.380 nan 0.000 0.530 75 A N 0.818 123.597 122.820 -0.069 0.000 2.388 75 A HA 0.386 4.686 4.320 -0.033 0.000 0.257 75 A C 0.510 178.030 177.584 -0.107 0.000 1.095 75 A CA -0.519 51.471 52.037 -0.078 0.000 0.791 75 A CB -0.063 18.896 19.000 -0.068 0.000 1.029 75 A HN 0.554 nan 8.150 nan 0.000 0.489 76 L N 1.752 122.904 121.223 -0.118 0.000 2.525 76 L HA 0.089 4.409 4.340 -0.033 0.000 0.278 76 L C 1.623 178.378 176.870 -0.192 0.000 1.218 76 L CA 0.576 55.318 54.840 -0.162 0.000 0.878 76 L CB 0.477 42.437 42.059 -0.164 0.000 1.127 76 L HN 0.986 nan 8.230 nan 0.000 0.492 77 T N -1.073 113.329 114.554 -0.253 0.000 3.054 77 T HA 0.288 4.618 4.350 -0.033 0.000 0.255 77 T C 0.097 174.546 174.700 -0.419 0.000 1.035 77 T CA -0.090 61.843 62.100 -0.279 0.000 0.941 77 T CB 0.028 68.726 68.868 -0.282 0.000 1.026 77 T HN 0.380 nan 8.240 nan 0.000 0.533 78 V N -2.595 117.012 119.914 -0.511 0.000 3.102 78 V HA 0.801 4.901 4.120 -0.033 0.000 0.312 78 V C -3.194 172.535 176.094 -0.608 0.000 1.135 78 V CA -3.221 58.565 62.300 -0.857 0.000 1.022 78 V CB 1.332 32.649 31.823 -0.844 0.000 1.056 78 V HN -0.161 nan 8.190 nan 0.000 0.436 79 P HA 0.259 nan 4.420 nan 0.000 0.267 79 P C -2.129 175.044 177.300 -0.212 0.000 1.200 79 P CA -1.100 61.810 63.100 -0.317 0.000 0.772 79 P CB 0.081 31.663 31.700 -0.197 0.000 0.855 80 P HA -0.208 nan 4.420 nan 0.000 0.218 80 P C 1.201 178.464 177.300 -0.060 0.000 1.148 80 P CA 1.503 64.547 63.100 -0.094 0.000 0.822 80 P CB -0.133 31.528 31.700 -0.065 0.000 0.784 81 E N 0.290 120.467 120.200 -0.039 0.000 2.204 81 E HA -0.089 4.241 4.350 -0.033 0.000 0.195 81 E C 1.752 178.358 176.600 0.009 0.000 0.990 81 E CA 1.068 57.466 56.400 -0.003 0.000 0.821 81 E CB -1.384 28.327 29.700 0.018 0.000 0.750 81 E HN 0.128 nan 8.360 nan 0.000 0.477 82 V N 1.581 121.485 119.914 -0.018 0.000 3.041 82 V HA -0.126 3.974 4.120 -0.033 0.000 0.260 82 V C 2.453 178.545 176.094 -0.004 0.000 1.105 82 V CA 0.866 63.172 62.300 0.011 0.000 1.125 82 V CB -0.071 31.729 31.823 -0.039 0.000 0.730 82 V HN 0.103 nan 8.190 nan 0.000 0.479 83 V N 0.654 120.545 119.914 -0.037 0.000 2.759 83 V HA -0.139 3.961 4.120 -0.033 0.000 0.256 83 V C 1.823 177.935 176.094 0.029 0.000 1.080 83 V CA 1.857 64.141 62.300 -0.025 0.000 1.101 83 V CB -0.809 30.986 31.823 -0.047 0.000 0.698 83 V HN 0.639 nan 8.190 nan 0.000 0.477 84 N N 0.389 119.118 118.700 0.049 0.000 2.327 84 N HA 0.028 4.747 4.740 -0.033 0.000 0.231 84 N C 1.257 176.831 175.510 0.107 0.000 1.130 84 N CA 0.016 53.118 53.050 0.086 0.000 0.845 84 N CB -0.433 38.093 38.487 0.065 0.000 1.073 84 N HN 0.346 nan 8.380 nan 0.000 0.496 85 N N 0.523 119.294 118.700 0.118 0.000 2.021 85 N HA -0.181 4.539 4.740 -0.033 0.000 0.198 85 N C 1.452 177.063 175.510 0.168 0.000 1.041 85 N CA 1.624 54.765 53.050 0.151 0.000 0.862 85 N CB 0.007 38.602 38.487 0.179 0.000 1.048 85 N HN 0.226 nan 8.380 nan 0.000 0.427 86 M N -0.373 119.337 119.600 0.182 0.000 2.159 86 M HA 0.004 4.464 4.480 -0.033 0.000 0.263 86 M C 2.180 178.544 176.300 0.108 0.000 1.063 86 M CA 1.352 56.755 55.300 0.172 0.000 1.110 86 M CB -1.505 31.197 32.600 0.169 0.000 1.374 86 M HN 0.341 nan 8.290 nan 0.000 0.411 87 G N 0.699 109.554 108.800 0.092 0.000 2.440 87 G HA2 -0.244 3.696 3.960 -0.033 0.000 0.218 87 G HA3 -0.244 3.696 3.960 -0.033 0.000 0.218 87 G C 1.393 176.326 174.900 0.054 0.000 1.154 87 G CA 0.830 45.966 45.100 0.060 0.000 0.767 87 G HN 0.406 nan 8.290 nan 0.000 0.552 88 N N 0.725 119.464 118.700 0.064 0.000 2.120 88 N HA -0.043 4.677 4.740 -0.033 0.000 0.188 88 N C 2.229 177.757 175.510 0.030 0.000 1.024 88 N CA 0.795 53.871 53.050 0.044 0.000 0.852 88 N CB -0.269 38.248 38.487 0.050 0.000 1.003 88 N HN 0.362 nan 8.380 nan 0.000 0.424 89 I N 1.137 121.738 120.570 0.052 0.000 2.179 89 I HA -0.235 3.915 4.170 -0.033 0.000 0.242 89 I C 2.328 178.466 176.117 0.035 0.000 1.088 89 I CA 1.065 62.386 61.300 0.034 0.000 1.357 89 I CB -0.299 37.745 38.000 0.074 0.000 1.051 89 I HN 0.062 nan 8.210 nan 0.000 0.409 90 A N 0.483 123.332 122.820 0.047 0.000 1.902 90 A HA -0.232 4.068 4.320 -0.033 0.000 0.217 90 A C 1.936 179.541 177.584 0.035 0.000 1.181 90 A CA 2.028 54.090 52.037 0.041 0.000 0.623 90 A CB -0.598 18.423 19.000 0.034 0.000 0.818 90 A HN 0.344 nan 8.150 nan 0.000 0.443 91 D N 0.113 120.530 120.400 0.028 0.000 2.178 91 D HA -0.030 4.590 4.640 -0.033 0.000 0.201 91 D C 1.902 178.216 176.300 0.024 0.000 0.980 91 D CA 1.387 55.400 54.000 0.021 0.000 0.842 91 D CB -0.296 40.514 40.800 0.017 0.000 0.948 91 D HN 0.452 nan 8.370 nan 0.000 0.472 92 A N -0.237 122.599 122.820 0.026 0.000 2.238 92 A HA 0.376 4.676 4.320 -0.033 0.000 0.208 92 A C 1.741 179.399 177.584 0.124 0.000 1.177 92 A CA 1.000 53.061 52.037 0.040 0.000 0.804 92 A CB -0.271 18.710 19.000 -0.032 0.000 0.823 92 A HN 0.234 nan 8.150 nan 0.000 0.482 93 G N -1.166 107.697 108.800 0.106 0.000 2.176 93 G HA2 -0.235 3.705 3.960 -0.033 0.000 0.252 93 G HA3 -0.235 3.705 3.960 -0.033 0.000 0.252 93 G C 0.485 175.519 174.900 0.223 0.000 1.024 93 G CA 0.526 45.719 45.100 0.156 0.000 0.755 93 G HN 0.526 nan 8.290 nan 0.000 0.507 94 L N -0.973 120.323 121.223 0.122 0.000 2.693 94 L HA 0.317 4.637 4.340 -0.033 0.000 0.235 94 L C 2.530 179.408 176.870 0.014 0.000 1.127 94 L CA 0.303 55.173 54.840 0.050 0.000 0.914 94 L CB -0.008 42.039 42.059 -0.020 0.000 1.193 94 L HN 0.303 nan 8.230 nan 0.000 0.502 95 R N 1.035 121.557 120.500 0.036 0.000 2.073 95 R HA -0.168 4.152 4.340 -0.033 0.000 0.234 95 R C 2.125 178.439 176.300 0.023 0.000 1.134 95 R CA 1.563 57.682 56.100 0.032 0.000 0.952 95 R CB 0.090 30.419 30.300 0.049 0.000 0.850 95 R HN 0.203 nan 8.270 nan 0.000 0.433 96 K N -0.285 120.133 120.400 0.030 0.000 2.026 96 K HA -0.110 4.190 4.320 -0.033 0.000 0.208 96 K C 2.074 178.677 176.600 0.005 0.000 1.048 96 K CA 1.394 57.696 56.287 0.024 0.000 0.929 96 K CB -0.144 32.376 32.500 0.033 0.000 0.713 96 K HN 0.253 nan 8.250 nan 0.000 0.439 97 A N 0.844 123.660 122.820 -0.008 0.000 1.902 97 A HA -0.121 4.179 4.320 -0.033 0.000 0.217 97 A C 2.314 179.859 177.584 -0.065 0.000 1.181 97 A CA 1.388 53.402 52.037 -0.038 0.000 0.623 97 A CB -0.561 18.400 19.000 -0.066 0.000 0.818 97 A HN 0.086 nan 8.150 nan 0.000 0.443 98 V N -0.112 119.748 119.914 -0.089 0.000 2.307 98 V HA -0.268 3.832 4.120 -0.033 0.000 0.245 98 V C 2.687 178.724 176.094 -0.095 0.000 1.045 98 V CA 1.927 64.124 62.300 -0.172 0.000 1.024 98 V CB -0.635 31.008 31.823 -0.301 0.000 0.651 98 V HN 0.490 nan 8.190 nan 0.000 0.449 99 M N -0.009 119.579 119.600 -0.021 0.000 2.080 99 M HA -0.216 4.244 4.480 -0.033 0.000 0.260 99 M C 2.220 178.530 176.300 0.017 0.000 1.068 99 M CA 1.922 57.240 55.300 0.031 0.000 1.109 99 M CB -1.242 31.384 32.600 0.044 0.000 1.342 99 M HN 0.353 nan 8.290 nan 0.000 0.405 100 K N 0.082 120.482 120.400 -0.000 0.000 2.147 100 K HA -0.088 4.212 4.320 -0.033 0.000 0.205 100 K C 1.785 178.379 176.600 -0.011 0.000 1.049 100 K CA 1.481 57.766 56.287 -0.003 0.000 0.936 100 K CB -0.018 32.477 32.500 -0.007 0.000 0.722 100 K HN 0.251 nan 8.250 nan 0.000 0.446 101 A N 1.286 124.090 122.820 -0.026 0.000 2.119 101 A HA 0.013 4.313 4.320 -0.033 0.000 0.217 101 A C 1.771 179.347 177.584 -0.013 0.000 1.153 101 A CA 0.955 52.973 52.037 -0.031 0.000 0.692 101 A CB -0.462 18.505 19.000 -0.055 0.000 0.799 101 A HN 0.570 nan 8.150 nan 0.000 0.458 102 I N -2.321 118.255 120.570 0.010 0.000 3.927 102 I HA 0.205 4.355 4.170 -0.033 0.000 0.332 102 I C 0.502 176.637 176.117 0.030 0.000 1.485 102 I CA 0.017 61.340 61.300 0.038 0.000 1.131 102 I CB -0.195 37.880 38.000 0.125 0.000 1.092 102 I HN 0.084 nan 8.210 nan 0.000 0.410 103 T N -0.456 114.109 114.554 0.018 0.000 2.899 103 T HA 0.330 4.660 4.350 -0.033 0.000 0.295 103 T C -1.299 173.408 174.700 0.012 0.000 1.033 103 T CA -1.340 60.770 62.100 0.017 0.000 1.084 103 T CB 0.816 69.693 68.868 0.015 0.000 0.979 103 T HN 0.099 nan 8.240 nan 0.000 0.532 104 P HA 0.131 nan 4.420 nan 0.000 0.245 104 P C 0.746 178.063 177.300 0.027 0.000 1.212 104 P CA 0.160 63.277 63.100 0.028 0.000 0.774 104 P CB 0.195 31.921 31.700 0.044 0.000 0.999 105 K N 0.054 120.466 120.400 0.020 0.000 2.426 105 K HA 0.197 4.497 4.320 -0.033 0.000 0.193 105 K C 1.059 177.666 176.600 0.013 0.000 1.028 105 K CA -0.213 56.085 56.287 0.018 0.000 1.047 105 K CB -0.354 32.156 32.500 0.016 0.000 0.821 105 K HN 0.076 nan 8.250 nan 0.000 0.513 106 A N 3.278 126.102 122.820 0.007 0.000 2.565 106 A HA 0.113 4.413 4.320 -0.033 0.000 0.237 106 A C -2.132 175.456 177.584 0.006 0.000 1.053 106 A CA -0.726 51.311 52.037 -0.001 0.000 0.755 106 A CB -0.521 18.470 19.000 -0.015 0.000 0.980 106 A HN -0.013 nan 8.150 nan 0.000 0.506 107 P HA 0.196 nan 4.420 nan 0.000 0.260 107 P C 1.129 178.438 177.300 0.015 0.000 1.172 107 P CA 1.939 65.045 63.100 0.010 0.000 0.760 107 P CB 0.429 32.132 31.700 0.005 0.000 0.773 108 G N 2.270 111.089 108.800 0.032 0.000 2.205 108 G HA2 -0.340 3.600 3.960 -0.033 0.000 0.261 108 G HA3 -0.340 3.600 3.960 -0.033 0.000 0.261 108 G C 0.704 175.657 174.900 0.089 0.000 0.980 108 G CA 0.340 45.472 45.100 0.055 0.000 0.632 108 G HN 0.552 nan 8.290 nan 0.000 0.533 109 L N 0.965 122.228 121.223 0.066 0.000 2.027 109 L HA 0.236 4.556 4.340 -0.033 0.000 0.206 109 L C 2.536 179.498 176.870 0.153 0.000 1.074 109 L CA 2.937 57.833 54.840 0.092 0.000 0.745 109 L CB -0.589 41.492 42.059 0.038 0.000 0.898 109 L HN 0.478 nan 8.230 nan 0.000 0.433 110 E N -1.027 119.233 120.200 0.101 0.000 2.110 110 E HA -0.292 4.038 4.350 -0.033 0.000 0.193 110 E C 2.098 178.750 176.600 0.086 0.000 0.988 110 E CA 1.135 57.588 56.400 0.088 0.000 0.804 110 E CB -0.128 29.608 29.700 0.060 0.000 0.745 110 E HN 0.463 nan 8.360 nan 0.000 0.458 111 Q N 0.533 120.388 119.800 0.092 0.000 2.119 111 Q HA -0.163 4.157 4.340 -0.033 0.000 0.201 111 Q C 1.736 177.792 176.000 0.094 0.000 0.972 111 Q CA 1.267 57.115 55.803 0.076 0.000 0.847 111 Q CB -0.388 28.393 28.738 0.071 0.000 0.903 111 Q HN 0.351 nan 8.270 nan 0.000 0.433 112 F N -0.357 119.599 119.950 0.009 0.000 2.134 112 F HA -0.133 4.374 4.527 -0.034 0.000 0.299 112 F C 1.622 177.428 175.800 0.010 0.000 1.097 112 F CA 1.136 59.142 58.000 0.010 0.000 1.264 112 F CB -0.119 38.888 39.000 0.011 0.000 1.001 112 F HN 0.113 nan 8.300 nan 0.000 0.479 113 L N 0.104 121.365 121.223 0.063 0.000 2.017 113 L HA -0.234 4.086 4.340 -0.033 0.000 0.208 113 L C 2.744 179.542 176.870 -0.120 0.000 1.073 113 L CA 1.549 56.365 54.840 -0.041 0.000 0.745 113 L CB -0.507 41.590 42.059 0.063 0.000 0.894 113 L HN 0.086 nan 8.230 nan 0.000 0.432 114 R N -0.334 120.129 120.500 -0.061 0.000 2.073 114 R HA -0.172 4.147 4.340 -0.033 0.000 0.234 114 R C 1.932 178.177 176.300 -0.091 0.000 1.134 114 R CA 1.694 57.761 56.100 -0.055 0.000 0.952 114 R CB -0.412 29.876 30.300 -0.021 0.000 0.850 114 R HN 0.369 nan 8.270 nan 0.000 0.433 115 D N -0.354 119.971 120.400 -0.124 0.000 2.117 115 D HA -0.112 4.508 4.640 -0.033 0.000 0.197 115 D C 1.819 177.998 176.300 -0.201 0.000 0.987 115 D CA 1.499 55.416 54.000 -0.139 0.000 0.829 115 D CB -0.320 40.403 40.800 -0.129 0.000 0.961 115 D HN 0.190 nan 8.370 nan 0.000 0.460 116 T N 0.592 114.932 114.554 -0.356 0.000 2.737 116 T HA -0.069 4.261 4.350 -0.033 0.000 0.265 116 T C 2.038 176.641 174.700 -0.161 0.000 1.038 116 T CA 1.435 63.323 62.100 -0.354 0.000 1.144 116 T CB -0.303 68.207 68.868 -0.598 0.000 0.866 116 T HN 0.183 nan 8.240 nan 0.000 0.434 117 A N 2.518 125.269 122.820 -0.115 0.000 1.908 117 A HA -0.178 4.122 4.320 -0.033 0.000 0.218 117 A C 2.258 179.895 177.584 0.088 0.000 1.181 117 A CA 1.595 53.672 52.037 0.067 0.000 0.627 117 A CB -0.666 18.380 19.000 0.078 0.000 0.818 117 A HN 0.376 nan 8.150 nan 0.000 0.445 118 N N -0.179 118.513 118.700 -0.013 0.000 2.188 118 N HA -0.113 4.606 4.740 -0.033 0.000 0.184 118 N C 2.045 177.525 175.510 -0.051 0.000 1.018 118 N CA 1.503 54.529 53.050 -0.041 0.000 0.858 118 N CB -0.462 37.995 38.487 -0.050 0.000 0.989 118 N HN 0.503 nan 8.380 nan 0.000 0.426 119 S N 0.623 116.291 115.700 -0.053 0.000 2.368 119 S HA 0.051 4.500 4.470 -0.033 0.000 0.224 119 S C 2.034 176.614 174.600 -0.034 0.000 1.029 119 S CA 0.511 58.681 58.200 -0.049 0.000 0.988 119 S CB -0.218 62.946 63.200 -0.059 0.000 0.838 119 S HN 0.201 nan 8.310 nan 0.000 0.462 120 L N 0.897 122.120 121.223 -0.000 0.000 2.042 120 L HA -0.113 4.207 4.340 -0.033 0.000 0.210 120 L C 2.497 179.357 176.870 -0.017 0.000 1.076 120 L CA 1.278 56.145 54.840 0.046 0.000 0.749 120 L CB -0.538 41.628 42.059 0.178 0.000 0.893 120 L HN 0.348 nan 8.230 nan 0.000 0.432 121 L N -0.749 120.426 121.223 -0.080 0.000 2.056 121 L HA -0.211 4.109 4.340 -0.033 0.000 0.207 121 L C 2.249 178.977 176.870 -0.237 0.000 1.078 121 L CA 0.986 55.662 54.840 -0.273 0.000 0.749 121 L CB -0.598 41.252 42.059 -0.347 0.000 0.901 121 L HN 0.252 nan 8.230 nan 0.000 0.433 122 D N -0.025 120.288 120.400 -0.145 0.000 2.149 122 D HA -0.167 4.453 4.640 -0.033 0.000 0.198 122 D C 1.941 178.193 176.300 -0.081 0.000 0.990 122 D CA 1.031 54.966 54.000 -0.109 0.000 0.839 122 D CB -0.290 40.469 40.800 -0.068 0.000 0.948 122 D HN 0.272 nan 8.370 nan 0.000 0.460 123 N N 0.334 118.995 118.700 -0.065 0.000 2.188 123 N HA -0.066 4.654 4.740 -0.033 0.000 0.184 123 N C 2.088 177.580 175.510 -0.030 0.000 1.018 123 N CA 0.360 53.389 53.050 -0.034 0.000 0.858 123 N CB -0.361 38.114 38.487 -0.020 0.000 0.989 123 N HN 0.266 nan 8.380 nan 0.000 0.426 124 L N 0.540 121.714 121.223 -0.082 0.000 2.056 124 L HA -0.060 4.260 4.340 -0.033 0.000 0.207 124 L C 2.135 178.998 176.870 -0.010 0.000 1.078 124 L CA 0.833 55.627 54.840 -0.077 0.000 0.749 124 L CB -0.379 41.539 42.059 -0.235 0.000 0.901 124 L HN 0.086 nan 8.230 nan 0.000 0.433 125 I N -0.468 120.020 120.570 -0.136 0.000 2.226 125 I HA -0.281 3.869 4.170 -0.033 0.000 0.245 125 I C 2.500 178.706 176.117 0.150 0.000 1.100 125 I CA 1.522 62.847 61.300 0.042 0.000 1.374 125 I CB -0.473 37.461 38.000 -0.109 0.000 1.057 125 I HN 0.257 nan 8.210 nan 0.000 0.413 126 T N 0.015 114.604 114.554 0.059 0.000 2.746 126 T HA -0.188 4.142 4.350 -0.033 0.000 0.267 126 T C 1.721 176.466 174.700 0.075 0.000 1.039 126 T CA 1.393 63.527 62.100 0.057 0.000 1.142 126 T CB -0.239 68.643 68.868 0.024 0.000 0.866 126 T HN 0.408 nan 8.240 nan 0.000 0.444 127 E N 0.229 120.480 120.200 0.086 0.000 2.208 127 E HA 0.267 4.597 4.350 -0.033 0.000 0.193 127 E C 1.035 177.696 176.600 0.103 0.000 0.988 127 E CA 0.298 56.747 56.400 0.081 0.000 0.828 127 E CB -0.028 29.716 29.700 0.073 0.000 0.763 127 E HN 0.532 nan 8.360 nan 0.000 0.478 128 G N 0.575 109.488 108.800 0.190 0.000 2.705 128 G HA2 -0.019 3.921 3.960 -0.033 0.000 0.686 128 G HA3 -0.019 3.921 3.960 -0.033 0.000 0.686 128 G C -0.269 174.669 174.900 0.064 0.000 1.285 128 G CA -0.705 44.473 45.100 0.131 0.000 0.800 128 G HN 0.383 nan 8.290 nan 0.000 0.611 129 A N 2.678 125.303 122.820 -0.326 0.000 2.425 129 A HA 0.740 5.040 4.320 -0.033 0.000 0.242 129 A C -0.530 176.936 177.584 -0.197 0.000 1.077 129 A CA 0.049 51.801 52.037 -0.476 0.000 0.781 129 A CB -0.188 18.221 19.000 -0.986 0.000 1.020 129 A HN 1.117 nan 8.150 nan 0.000 0.494 130 P HA 0.535 nan 4.420 nan 0.000 0.277 130 P C -0.693 176.670 177.300 0.104 0.000 1.240 130 P CA -0.108 62.970 63.100 -0.037 0.000 0.798 130 P CB 1.357 33.039 31.700 -0.029 0.000 0.979 131 A N 1.137 124.098 122.820 0.234 0.000 2.355 131 A HA 0.450 4.750 4.320 -0.033 0.000 0.324 131 A C -0.644 177.006 177.584 0.110 0.000 1.117 131 A CA -0.500 51.665 52.037 0.214 0.000 0.785 131 A CB 0.893 20.063 19.000 0.284 0.000 1.254 131 A HN 0.531 nan 8.150 nan 0.000 0.453 132 D N 2.321 122.759 120.400 0.063 0.000 2.412 132 D HA 0.320 4.940 4.640 -0.033 0.000 0.224 132 D C 0.622 176.948 176.300 0.045 0.000 1.093 132 D CA -0.237 53.784 54.000 0.034 0.000 0.850 132 D CB 0.647 41.456 40.800 0.015 0.000 1.046 132 D HN 0.409 nan 8.370 nan 0.000 0.507 133 L N 3.166 124.417 121.223 0.047 0.000 2.465 133 L HA 0.031 4.351 4.340 -0.033 0.000 0.224 133 L C 2.322 179.266 176.870 0.125 0.000 1.145 133 L CA 0.308 55.210 54.840 0.103 0.000 0.834 133 L CB -0.031 42.075 42.059 0.079 0.000 0.944 133 L HN 0.352 nan 8.230 nan 0.000 0.451 134 R N 0.432 120.958 120.500 0.043 0.000 2.048 134 R HA -0.045 4.275 4.340 -0.033 0.000 0.224 134 R C 1.973 178.272 176.300 -0.002 0.000 1.163 134 R CA 1.022 57.130 56.100 0.014 0.000 0.956 134 R CB 0.039 30.326 30.300 -0.021 0.000 0.849 134 R HN 0.286 nan 8.270 nan 0.000 0.435 135 N N 0.549 119.246 118.700 -0.006 0.000 2.396 135 N HA -0.090 4.630 4.740 -0.033 0.000 0.180 135 N C 0.007 175.493 175.510 -0.039 0.000 1.028 135 N CA 1.001 54.034 53.050 -0.028 0.000 0.893 135 N CB 0.189 38.672 38.487 -0.008 0.000 0.967 135 N HN 0.333 nan 8.380 nan 0.000 0.440 136 D N -1.458 118.948 120.400 0.011 0.000 2.469 136 D HA 0.139 4.759 4.640 -0.033 0.000 0.215 136 D C 0.498 176.867 176.300 0.114 0.000 1.154 136 D CA -0.115 53.903 54.000 0.029 0.000 0.832 136 D CB 0.492 41.310 40.800 0.029 0.000 1.008 136 D HN 0.188 nan 8.370 nan 0.000 0.506 137 F N 0.529 120.429 119.950 -0.083 0.000 1.881 137 F HA 0.294 4.801 4.527 -0.033 0.000 0.233 137 F C 1.897 177.657 175.800 -0.067 0.000 1.186 137 F CA 0.289 58.236 58.000 -0.087 0.000 1.298 137 F CB -0.083 38.858 39.000 -0.098 0.000 1.756 137 F HN -0.143 nan 8.300 nan 0.000 0.431 138 A N 0.392 123.072 122.820 -0.234 0.000 1.877 138 A HA -0.134 4.166 4.320 -0.033 0.000 0.216 138 A C 1.648 179.131 177.584 -0.168 0.000 1.186 138 A CA 2.321 54.176 52.037 -0.304 0.000 0.620 138 A CB -0.979 17.977 19.000 -0.072 0.000 0.822 138 A HN 0.545 nan 8.150 nan 0.000 0.443 139 D N -0.626 119.686 120.400 -0.145 0.000 2.103 139 D HA -0.051 4.569 4.640 -0.033 0.000 0.199 139 D C -0.485 175.633 176.300 -0.303 0.000 0.978 139 D CA 1.376 55.250 54.000 -0.209 0.000 0.829 139 D CB -1.468 39.162 40.800 -0.284 0.000 0.981 139 D HN 0.294 nan 8.370 nan 0.000 0.464 140 P HA -0.107 nan 4.420 nan 0.000 0.216 140 P C 1.762 178.986 177.300 -0.126 0.000 1.150 140 P CA 0.638 63.613 63.100 -0.208 0.000 0.837 140 P CB 0.042 31.654 31.700 -0.148 0.000 0.786 141 L N -0.114 121.006 121.223 -0.172 0.000 2.046 141 L HA -0.085 4.235 4.340 -0.033 0.000 0.208 141 L C 2.343 179.277 176.870 0.106 0.000 1.077 141 L CA 2.040 56.811 54.840 -0.115 0.000 0.747 141 L CB -1.548 40.288 42.059 -0.371 0.000 0.896 141 L HN -0.107 nan 8.230 nan 0.000 0.432 142 A N -1.637 121.264 122.820 0.135 0.000 1.883 142 A HA -0.222 4.078 4.320 -0.033 0.000 0.217 142 A C 2.278 179.914 177.584 0.086 0.000 1.186 142 A CA 2.420 54.478 52.037 0.035 0.000 0.624 142 A CB -1.240 17.674 19.000 -0.142 0.000 0.822 142 A HN 0.507 nan 8.150 nan 0.000 0.444 143 T N 0.190 114.748 114.554 0.005 0.000 2.708 143 T HA 0.005 4.335 4.350 -0.033 0.000 0.266 143 T C 2.249 177.071 174.700 0.204 0.000 1.037 143 T CA 1.624 63.769 62.100 0.074 0.000 1.146 143 T CB -0.477 68.416 68.868 0.041 0.000 0.865 143 T HN 0.601 nan 8.240 nan 0.000 0.435 144 A N 1.414 124.341 122.820 0.178 0.000 1.902 144 A HA -0.023 4.277 4.320 -0.033 0.000 0.217 144 A C 2.250 180.069 177.584 0.391 0.000 1.181 144 A CA 1.386 53.595 52.037 0.286 0.000 0.623 144 A CB -0.892 18.242 19.000 0.223 0.000 0.818 144 A HN 0.406 nan 8.150 nan 0.000 0.443 145 L N -0.546 120.879 121.223 0.337 0.000 2.013 145 L HA -0.222 4.098 4.340 -0.033 0.000 0.212 145 L C 2.229 179.120 176.870 0.036 0.000 1.073 145 L CA 2.707 57.693 54.840 0.242 0.000 0.753 145 L CB -0.926 41.226 42.059 0.155 0.000 0.890 145 L HN 0.544 nan 8.230 nan 0.000 0.432 146 H N -2.071 117.045 119.070 0.077 0.000 2.428 146 H HA -0.062 4.474 4.556 -0.033 0.000 0.296 146 H C 2.333 177.786 175.328 0.210 0.000 1.062 146 H CA 1.556 57.649 56.048 0.075 0.000 1.350 146 H CB -0.557 29.120 29.762 -0.141 0.000 1.403 146 H HN 0.411 nan 8.280 nan 0.000 0.533 147 C N 0.450 119.955 119.300 0.341 0.000 2.429 147 C HA -0.121 4.319 4.460 -0.033 0.000 0.277 147 C C 2.658 177.697 174.990 0.081 0.000 1.262 147 C CA 1.125 60.298 59.018 0.259 0.000 1.733 147 C CB -0.395 27.488 27.740 0.238 0.000 2.010 147 C HN 0.474 nan 8.230 nan 0.000 0.483 148 K N 1.271 121.643 120.400 -0.046 0.000 2.026 148 K HA -0.099 4.200 4.320 -0.033 0.000 0.208 148 K C 1.787 178.297 176.600 -0.150 0.000 1.048 148 K CA 1.639 57.768 56.287 -0.263 0.000 0.929 148 K CB -0.719 31.373 32.500 -0.678 0.000 0.713 148 K HN 0.275 nan 8.250 nan 0.000 0.439 149 V N 0.696 120.554 119.914 -0.094 0.000 2.332 149 V HA -0.217 3.883 4.120 -0.033 0.000 0.248 149 V C 2.101 178.195 176.094 0.000 0.000 1.055 149 V CA 1.585 63.848 62.300 -0.062 0.000 1.038 149 V CB -0.405 31.358 31.823 -0.100 0.000 0.651 149 V HN 0.229 nan 8.190 nan 0.000 0.450 150 L N 0.241 121.505 121.223 0.069 0.000 2.313 150 L HA 0.233 4.553 4.340 -0.033 0.000 0.214 150 L C 1.827 178.718 176.870 0.036 0.000 1.119 150 L CA 1.636 56.532 54.840 0.093 0.000 0.809 150 L CB -0.782 41.396 42.059 0.198 0.000 0.933 150 L HN 0.509 nan 8.230 nan 0.000 0.449 151 G N 0.010 108.813 108.800 0.006 0.000 2.137 151 G HA2 -0.259 3.680 3.960 -0.033 0.000 0.237 151 G HA3 -0.259 3.680 3.960 -0.033 0.000 0.237 151 G C 0.399 175.300 174.900 0.002 0.000 1.002 151 G CA 0.398 45.486 45.100 -0.020 0.000 0.702 151 G HN 0.445 nan 8.290 nan 0.000 0.515 152 I N -2.462 118.137 120.570 0.048 0.000 2.707 152 I HA 0.783 4.933 4.170 -0.033 0.000 0.309 152 I C -2.249 173.918 176.117 0.084 0.000 1.001 152 I CA -3.261 58.087 61.300 0.080 0.000 1.129 152 I CB 1.409 39.507 38.000 0.162 0.000 1.308 152 I HN -0.155 nan 8.210 nan 0.000 0.466 153 P HA 0.046 nan 4.420 nan 0.000 0.265 153 P C 0.083 177.440 177.300 0.094 0.000 1.193 153 P CA -0.110 63.038 63.100 0.080 0.000 0.765 153 P CB 0.513 32.262 31.700 0.081 0.000 0.823 154 Q N 2.826 122.682 119.800 0.093 0.000 2.152 154 Q HA -0.229 4.091 4.340 -0.033 0.000 0.206 154 Q C 1.655 177.712 176.000 0.095 0.000 0.985 154 Q CA 1.878 57.752 55.803 0.119 0.000 0.863 154 Q CB -0.299 28.523 28.738 0.140 0.000 0.904 154 Q HN 0.710 nan 8.270 nan 0.000 0.422 155 E N 0.234 120.476 120.200 0.072 0.000 2.338 155 E HA -0.157 4.172 4.350 -0.033 0.000 0.197 155 E C 0.503 177.121 176.600 0.030 0.000 1.007 155 E CA 1.049 57.479 56.400 0.051 0.000 0.849 155 E CB 0.023 29.749 29.700 0.043 0.000 0.774 155 E HN 0.173 nan 8.360 nan 0.000 0.506 156 D N 0.882 121.297 120.400 0.025 0.000 2.348 156 D HA 0.018 4.638 4.640 -0.033 0.000 0.211 156 D C 1.846 178.077 176.300 -0.115 0.000 0.998 156 D CA 0.888 54.846 54.000 -0.069 0.000 0.873 156 D CB -0.032 40.736 40.800 -0.053 0.000 0.925 156 D HN 0.378 nan 8.370 nan 0.000 0.524 157 G N 2.079 110.891 108.800 0.020 0.000 2.433 157 G HA2 -0.198 3.742 3.960 -0.033 0.000 0.216 157 G HA3 -0.198 3.742 3.960 -0.033 0.000 0.216 157 G C -0.658 174.340 174.900 0.163 0.000 1.186 157 G CA 0.395 45.574 45.100 0.131 0.000 0.779 157 G HN 0.283 nan 8.290 nan 0.000 0.543 158 P HA -0.113 nan 4.420 nan 0.000 0.216 158 P C 1.621 179.020 177.300 0.164 0.000 1.153 158 P CA 2.052 65.242 63.100 0.151 0.000 0.858 158 P CB -0.054 31.692 31.700 0.077 0.000 0.789 159 K N -0.353 120.067 120.400 0.034 0.000 2.057 159 K HA -0.072 4.228 4.320 -0.033 0.000 0.206 159 K C 1.969 178.536 176.600 -0.054 0.000 1.050 159 K CA 1.390 57.667 56.287 -0.017 0.000 0.935 159 K CB -1.641 30.805 32.500 -0.088 0.000 0.715 159 K HN 0.075 nan 8.250 nan 0.000 0.439 160 L N 0.079 121.201 121.223 -0.168 0.000 2.042 160 L HA -0.105 4.215 4.340 -0.033 0.000 0.210 160 L C 2.493 179.419 176.870 0.093 0.000 1.076 160 L CA 1.414 56.090 54.840 -0.274 0.000 0.749 160 L CB -0.491 41.034 42.059 -0.890 0.000 0.893 160 L HN 0.171 nan 8.230 nan 0.000 0.432 161 F N 1.021 121.087 119.950 0.193 0.000 2.126 161 F HA -0.231 4.277 4.527 -0.031 0.000 0.299 161 F C 2.575 178.473 175.800 0.164 0.000 1.096 161 F CA 1.513 59.686 58.000 0.287 0.000 1.255 161 F CB -0.199 38.930 39.000 0.214 0.000 0.997 161 F HN -0.123 nan 8.300 nan 0.000 0.479 162 R N -0.266 120.255 120.500 0.035 0.000 2.237 162 R HA -0.079 4.241 4.340 -0.033 0.000 0.219 162 R C 2.204 178.447 176.300 -0.096 0.000 1.080 162 R CA 1.006 57.064 56.100 -0.070 0.000 0.995 162 R CB -0.473 29.863 30.300 0.059 0.000 0.875 162 R HN 0.228 nan 8.270 nan 0.000 0.462 163 S N 0.971 116.641 115.700 -0.050 0.000 2.447 163 S HA -0.011 4.439 4.470 -0.033 0.000 0.233 163 S C 1.731 176.343 174.600 0.019 0.000 1.006 163 S CA 0.770 58.971 58.200 0.001 0.000 0.957 163 S CB -0.011 63.213 63.200 0.041 0.000 0.773 163 S HN 0.274 nan 8.310 nan 0.000 0.507 164 L N 1.622 122.810 121.223 -0.058 0.000 2.217 164 L HA -0.030 4.290 4.340 -0.033 0.000 0.211 164 L C 2.519 179.526 176.870 0.228 0.000 1.107 164 L CA 1.087 55.986 54.840 0.098 0.000 0.783 164 L CB -0.745 41.302 42.059 -0.019 0.000 0.919 164 L HN 0.389 nan 8.230 nan 0.000 0.442 165 S N -0.401 115.322 115.700 0.038 0.000 2.474 165 S HA -0.043 4.407 4.470 -0.033 0.000 0.235 165 S C 1.688 176.437 174.600 0.249 0.000 0.997 165 S CA 0.743 58.988 58.200 0.076 0.000 0.949 165 S CB -0.254 62.878 63.200 -0.113 0.000 0.766 165 S HN 0.435 nan 8.310 nan 0.000 0.517 166 I N 0.706 121.382 120.570 0.176 0.000 3.300 166 I HA 0.241 4.391 4.170 -0.033 0.000 0.279 166 I C 2.796 178.963 176.117 0.084 0.000 1.172 166 I CA 0.590 61.968 61.300 0.130 0.000 1.431 166 I CB -0.374 37.662 38.000 0.060 0.000 1.240 166 I HN 0.334 nan 8.210 nan 0.000 0.453 167 A N 0.829 123.683 122.820 0.058 0.000 1.933 167 A HA -0.137 4.163 4.320 -0.033 0.000 0.218 167 A C 1.641 178.966 177.584 -0.432 0.000 1.175 167 A CA 1.600 53.555 52.037 -0.136 0.000 0.628 167 A CB -0.737 18.213 19.000 -0.083 0.000 0.814 167 A HN 0.414 nan 8.150 nan 0.000 0.444 168 F N -0.503 119.365 119.950 -0.136 0.000 2.645 168 F HA 0.356 4.864 4.527 -0.032 0.000 0.300 168 F C 0.816 176.152 175.800 -0.774 0.000 1.115 168 F CA -0.269 57.428 58.000 -0.506 0.000 1.355 168 F CB -0.242 38.349 39.000 -0.683 0.000 1.026 168 F HN 0.044 nan 8.300 nan 0.000 0.536 169 M N -0.113 119.399 119.600 -0.145 0.000 2.250 169 M HA 0.008 4.468 4.480 -0.033 0.000 0.325 169 M C 0.714 176.947 176.300 -0.112 0.000 1.084 169 M CA 0.482 55.788 55.300 0.010 0.000 1.161 169 M CB 0.632 33.295 32.600 0.106 0.000 1.481 169 M HN -0.092 nan 8.290 nan 0.000 0.449 170 S N 1.726 117.401 115.700 -0.042 0.000 2.426 170 S HA 0.337 4.787 4.470 -0.033 0.000 0.236 170 S C -0.720 173.870 174.600 -0.017 0.000 1.368 170 S CA -0.529 57.638 58.200 -0.055 0.000 1.154 170 S CB 0.445 63.613 63.200 -0.053 0.000 1.037 170 S HN 0.665 nan 8.310 nan 0.000 0.481 171 S N 2.930 118.612 115.700 -0.029 0.000 2.549 171 S HA 0.711 5.161 4.470 -0.033 0.000 0.297 171 S C 1.219 175.803 174.600 -0.027 0.000 1.115 171 S CA -0.188 58.002 58.200 -0.016 0.000 1.059 171 S CB 1.379 64.568 63.200 -0.018 0.000 1.046 171 S HN 0.801 nan 8.310 nan 0.000 0.506 172 A N 2.951 125.760 122.820 -0.019 0.000 2.015 172 A HA 0.146 4.446 4.320 -0.033 0.000 0.219 172 A C 0.489 178.056 177.584 -0.028 0.000 1.163 172 A CA 1.023 53.046 52.037 -0.023 0.000 0.646 172 A CB -0.264 18.726 19.000 -0.017 0.000 0.806 172 A HN 0.826 nan 8.150 nan 0.000 0.448 173 D N -1.409 118.975 120.400 -0.026 0.000 2.490 173 D HA 0.450 5.070 4.640 -0.033 0.000 0.232 173 D C -2.977 173.302 176.300 -0.035 0.000 1.053 173 D CA -1.516 52.467 54.000 -0.028 0.000 0.914 173 D CB 1.190 41.978 40.800 -0.020 0.000 1.431 173 D HN -0.141 nan 8.370 nan 0.000 0.483 174 P HA 0.126 nan 4.420 nan 0.000 0.267 174 P C -0.440 176.838 177.300 -0.036 0.000 1.201 174 P CA 0.215 63.286 63.100 -0.047 0.000 0.775 174 P CB 0.577 32.250 31.700 -0.046 0.000 0.854 175 I N 3.828 124.373 120.570 -0.041 0.000 2.390 175 I HA 0.211 4.361 4.170 -0.033 0.000 0.283 175 I C -1.602 174.505 176.117 -0.018 0.000 1.016 175 I CA -2.112 59.173 61.300 -0.025 0.000 1.151 175 I CB 1.842 39.827 38.000 -0.025 0.000 1.293 175 I HN 0.231 nan 8.210 nan 0.000 0.458 176 P HA -0.203 nan 4.420 nan 0.000 0.216 176 P C 1.591 178.897 177.300 0.010 0.000 1.153 176 P CA 1.167 64.267 63.100 -0.001 0.000 0.858 176 P CB 0.336 32.038 31.700 0.002 0.000 0.789 177 A N -0.152 122.675 122.820 0.012 0.000 2.019 177 A HA -0.108 4.192 4.320 -0.033 0.000 0.219 177 A C 2.294 179.897 177.584 0.033 0.000 1.164 177 A CA 1.909 53.959 52.037 0.022 0.000 0.644 177 A CB -1.487 17.525 19.000 0.020 0.000 0.805 177 A HN 0.208 nan 8.150 nan 0.000 0.449 178 A N 0.008 122.839 122.820 0.019 0.000 1.902 178 A HA -0.175 4.125 4.320 -0.033 0.000 0.217 178 A C 2.120 179.748 177.584 0.073 0.000 1.181 178 A CA 1.999 54.051 52.037 0.024 0.000 0.623 178 A CB -0.415 18.562 19.000 -0.039 0.000 0.818 178 A HN 0.585 nan 8.150 nan 0.000 0.443 179 K N -0.238 120.191 120.400 0.047 0.000 2.057 179 K HA -0.045 4.255 4.320 -0.033 0.000 0.206 179 K C 1.803 178.485 176.600 0.137 0.000 1.050 179 K CA 1.353 57.695 56.287 0.091 0.000 0.935 179 K CB -0.321 32.202 32.500 0.038 0.000 0.715 179 K HN 0.478 nan 8.250 nan 0.000 0.439 180 I N 1.734 122.355 120.570 0.085 0.000 2.127 180 I HA -0.334 3.816 4.170 -0.033 0.000 0.241 180 I C 1.946 178.112 176.117 0.081 0.000 1.075 180 I CA 1.239 62.581 61.300 0.071 0.000 1.334 180 I CB -0.461 37.566 38.000 0.044 0.000 1.040 180 I HN 0.266 nan 8.210 nan 0.000 0.405 181 N N 0.204 118.956 118.700 0.087 0.000 2.142 181 N HA -0.220 4.500 4.740 -0.033 0.000 0.186 181 N C 1.533 177.106 175.510 0.106 0.000 1.023 181 N CA 1.165 54.259 53.050 0.074 0.000 0.852 181 N CB -0.474 38.055 38.487 0.070 0.000 0.998 181 N HN 0.550 nan 8.380 nan 0.000 0.424 182 W N 2.528 123.821 121.300 -0.013 0.000 2.335 182 W HA -0.182 4.463 4.660 -0.025 0.000 0.311 182 W C 0.747 177.273 176.519 0.011 0.000 1.213 182 W CA 1.346 58.688 57.345 -0.005 0.000 1.274 182 W CB -0.181 29.268 29.460 -0.018 0.000 1.148 182 W HN 0.045 nan 8.180 nan 0.000 0.498 183 D N -0.214 120.281 120.400 0.158 0.000 2.144 183 D HA -0.188 4.432 4.640 -0.033 0.000 0.199 183 D C 2.216 178.492 176.300 -0.040 0.000 0.984 183 D CA 1.404 55.436 54.000 0.052 0.000 0.834 183 D CB -0.534 40.337 40.800 0.119 0.000 0.955 183 D HN 0.232 nan 8.370 nan 0.000 0.465 184 R N 0.637 121.126 120.500 -0.017 0.000 2.075 184 R HA -0.127 4.193 4.340 -0.033 0.000 0.232 184 R C 1.223 177.491 176.300 -0.052 0.000 1.126 184 R CA 1.360 57.446 56.100 -0.023 0.000 0.963 184 R CB 0.105 30.399 30.300 -0.009 0.000 0.858 184 R HN 0.009 nan 8.270 nan 0.000 0.435 185 D N 0.493 120.822 120.400 -0.119 0.000 2.144 185 D HA -0.118 4.502 4.640 -0.033 0.000 0.200 185 D C 1.916 178.115 176.300 -0.168 0.000 0.978 185 D CA 0.738 54.650 54.000 -0.147 0.000 0.833 185 D CB -0.044 40.635 40.800 -0.202 0.000 0.961 185 D HN 0.213 nan 8.370 nan 0.000 0.470 186 I N 1.370 121.736 120.570 -0.340 0.000 2.179 186 I HA -0.187 3.963 4.170 -0.033 0.000 0.242 186 I C 2.157 178.199 176.117 -0.125 0.000 1.088 186 I CA 1.144 62.260 61.300 -0.307 0.000 1.357 186 I CB -0.688 37.066 38.000 -0.411 0.000 1.051 186 I HN 0.005 nan 8.210 nan 0.000 0.409 187 E N 0.069 120.223 120.200 -0.076 0.000 2.118 187 E HA -0.266 4.064 4.350 -0.033 0.000 0.195 187 E C 2.079 178.669 176.600 -0.017 0.000 0.992 187 E CA 1.259 57.641 56.400 -0.031 0.000 0.804 187 E CB -0.704 28.991 29.700 -0.008 0.000 0.741 187 E HN 0.594 nan 8.360 nan 0.000 0.458 188 Y N 0.774 121.011 120.300 -0.105 0.000 2.145 188 Y HA -0.211 4.319 4.550 -0.034 0.000 0.286 188 Y C 2.183 178.026 175.900 -0.094 0.000 1.145 188 Y CA 1.680 59.722 58.100 -0.097 0.000 1.148 188 Y CB -0.135 38.255 38.460 -0.117 0.000 0.981 188 Y HN -0.071 nan 8.280 nan 0.000 0.507 189 M N 0.139 119.666 119.600 -0.122 0.000 2.229 189 M HA -0.104 4.356 4.480 -0.033 0.000 0.264 189 M C 2.439 178.627 176.300 -0.185 0.000 1.063 189 M CA 1.448 56.635 55.300 -0.188 0.000 1.114 189 M CB -1.691 30.882 32.600 -0.046 0.000 1.387 189 M HN 0.509 nan 8.290 nan 0.000 0.420 190 A N 0.228 122.969 122.820 -0.130 0.000 1.933 190 A HA -0.006 4.294 4.320 -0.033 0.000 0.218 190 A C 2.424 179.925 177.584 -0.139 0.000 1.175 190 A CA 1.911 53.889 52.037 -0.098 0.000 0.628 190 A CB -1.374 17.592 19.000 -0.057 0.000 0.814 190 A HN 0.500 nan 8.150 nan 0.000 0.444 191 G N -0.105 108.584 108.800 -0.184 0.000 2.422 191 G HA2 -0.140 3.800 3.960 -0.033 0.000 0.218 191 G HA3 -0.140 3.800 3.960 -0.033 0.000 0.218 191 G C 1.399 176.152 174.900 -0.245 0.000 1.146 191 G CA 1.014 45.997 45.100 -0.195 0.000 0.769 191 G HN 0.355 nan 8.290 nan 0.000 0.547 192 I N 0.845 121.196 120.570 -0.365 0.000 2.226 192 I HA -0.097 4.053 4.170 -0.033 0.000 0.245 192 I C 2.792 178.786 176.117 -0.205 0.000 1.100 192 I CA 0.963 62.068 61.300 -0.325 0.000 1.374 192 I CB -0.896 36.862 38.000 -0.403 0.000 1.057 192 I HN 0.164 nan 8.210 nan 0.000 0.413 193 L N 0.089 121.202 121.223 -0.184 0.000 2.191 193 L HA -0.158 4.162 4.340 -0.033 0.000 0.212 193 L C 2.171 178.948 176.870 -0.155 0.000 1.103 193 L CA 1.057 55.796 54.840 -0.170 0.000 0.769 193 L CB -0.412 41.545 42.059 -0.169 0.000 0.908 193 L HN 0.205 nan 8.230 nan 0.000 0.438 194 E N -0.509 119.609 120.200 -0.136 0.000 2.479 194 E HA 0.013 4.343 4.350 -0.033 0.000 0.193 194 E C 0.231 176.771 176.600 -0.100 0.000 1.049 194 E CA -0.012 56.323 56.400 -0.109 0.000 0.870 194 E CB -0.084 29.562 29.700 -0.091 0.000 0.944 194 E HN 0.262 nan 8.360 nan 0.000 0.492 195 N N 2.315 120.947 118.700 -0.113 0.000 2.406 195 N HA 0.044 4.764 4.740 -0.033 0.000 0.251 195 N C -1.691 173.769 175.510 -0.084 0.000 1.069 195 N CA -1.798 51.194 53.050 -0.097 0.000 0.947 195 N CB 1.384 39.803 38.487 -0.114 0.000 1.111 195 N HN -0.165 nan 8.380 nan 0.000 0.497 196 P HA -0.039 nan 4.420 nan 0.000 0.226 196 P C 0.250 177.518 177.300 -0.054 0.000 1.153 196 P CA 0.723 63.787 63.100 -0.060 0.000 0.777 196 P CB 0.505 32.176 31.700 -0.048 0.000 0.794 197 N N 0.021 118.690 118.700 -0.051 0.000 2.459 197 N HA -0.008 4.712 4.740 -0.033 0.000 0.181 197 N C 0.655 176.136 175.510 -0.047 0.000 1.046 197 N CA 0.641 53.666 53.050 -0.042 0.000 0.904 197 N CB -0.053 38.413 38.487 -0.034 0.000 0.964 197 N HN 0.212 nan 8.380 nan 0.000 0.444 198 I N 1.826 122.358 120.570 -0.062 0.000 2.282 198 I HA 0.088 4.238 4.170 -0.033 0.000 0.290 198 I C 1.082 177.157 176.117 -0.069 0.000 1.090 198 I CA 0.278 61.539 61.300 -0.065 0.000 1.231 198 I CB 0.003 37.953 38.000 -0.083 0.000 1.434 198 I HN -0.021 nan 8.210 nan 0.000 0.487 199 T N -0.193 114.326 114.554 -0.058 0.000 3.058 199 T HA 0.139 4.469 4.350 -0.033 0.000 0.278 199 T C 0.690 175.356 174.700 -0.055 0.000 0.974 199 T CA -0.076 61.989 62.100 -0.059 0.000 0.893 199 T CB 0.266 69.105 68.868 -0.049 0.000 1.138 199 T HN 0.508 nan 8.240 nan 0.000 0.529 200 T N -1.457 113.065 114.554 -0.053 0.000 2.910 200 T HA 0.720 5.050 4.350 -0.033 0.000 0.287 200 T C 0.829 175.497 174.700 -0.052 0.000 1.050 200 T CA -0.100 61.969 62.100 -0.053 0.000 1.011 200 T CB 1.233 70.069 68.868 -0.054 0.000 1.195 200 T HN 1.186 nan 8.240 nan 0.000 0.540 201 G N 0.327 109.096 108.800 -0.052 0.000 2.692 201 G HA2 -0.158 3.782 3.960 -0.033 0.000 0.248 201 G HA3 -0.158 3.782 3.960 -0.033 0.000 0.248 201 G C 0.480 175.355 174.900 -0.043 0.000 1.340 201 G CA 0.179 45.251 45.100 -0.046 0.000 0.896 201 G HN 1.496 nan 8.290 nan 0.000 0.570 202 L N -0.590 120.615 121.223 -0.030 0.000 2.012 202 L HA 0.000 4.320 4.340 -0.033 0.000 0.210 202 L C 2.944 179.787 176.870 -0.045 0.000 1.073 202 L CA 3.211 58.025 54.840 -0.042 0.000 0.748 202 L CB -0.434 41.607 42.059 -0.030 0.000 0.891 202 L HN 0.633 nan 8.230 nan 0.000 0.431 203 M N -0.723 118.861 119.600 -0.027 0.000 2.254 203 M HA 0.037 4.497 4.480 -0.033 0.000 0.265 203 M C 2.295 178.547 176.300 -0.081 0.000 1.066 203 M CA 1.290 56.563 55.300 -0.045 0.000 1.123 203 M CB -2.171 30.409 32.600 -0.033 0.000 1.388 203 M HN 0.402 nan 8.290 nan 0.000 0.425 204 G N -0.034 108.723 108.800 -0.072 0.000 2.418 204 G HA2 -0.245 3.695 3.960 -0.033 0.000 0.217 204 G HA3 -0.245 3.695 3.960 -0.033 0.000 0.217 204 G C 1.573 176.414 174.900 -0.099 0.000 1.158 204 G CA 1.168 46.218 45.100 -0.084 0.000 0.771 204 G HN 0.441 nan 8.290 nan 0.000 0.545 205 E N 0.474 120.619 120.200 -0.091 0.000 2.072 205 E HA 0.018 4.348 4.350 -0.033 0.000 0.190 205 E C 2.539 179.056 176.600 -0.138 0.000 0.982 205 E CA 0.581 56.919 56.400 -0.102 0.000 0.803 205 E CB -0.449 29.200 29.700 -0.085 0.000 0.755 205 E HN 0.417 nan 8.360 nan 0.000 0.453 206 L N 0.097 121.244 121.223 -0.126 0.000 2.083 206 L HA -0.146 4.174 4.340 -0.033 0.000 0.209 206 L C 2.444 179.095 176.870 -0.365 0.000 1.083 206 L CA 1.230 55.974 54.840 -0.158 0.000 0.752 206 L CB -0.403 41.652 42.059 -0.008 0.000 0.899 206 L HN 0.099 nan 8.230 nan 0.000 0.433 207 S N -0.045 115.490 115.700 -0.275 0.000 2.382 207 S HA -0.185 4.265 4.470 -0.033 0.000 0.228 207 S C 1.975 176.414 174.600 -0.268 0.000 1.027 207 S CA 1.561 59.584 58.200 -0.294 0.000 0.991 207 S CB -0.249 62.835 63.200 -0.194 0.000 0.823 207 S HN 0.511 nan 8.310 nan 0.000 0.469 208 R N 1.325 121.704 120.500 -0.203 0.000 2.073 208 R HA 0.078 4.398 4.340 -0.033 0.000 0.229 208 R C 2.040 178.236 176.300 -0.173 0.000 1.120 208 R CA 1.122 57.128 56.100 -0.156 0.000 0.967 208 R CB -0.778 29.458 30.300 -0.106 0.000 0.862 208 R HN 0.306 nan 8.270 nan 0.000 0.436 209 L N 0.855 121.934 121.223 -0.239 0.000 2.083 209 L HA -0.046 4.274 4.340 -0.033 0.000 0.209 209 L C 3.038 179.787 176.870 -0.202 0.000 1.083 209 L CA 1.448 56.115 54.840 -0.289 0.000 0.752 209 L CB -0.485 41.268 42.059 -0.511 0.000 0.899 209 L HN 0.263 nan 8.230 nan 0.000 0.433 210 R N 0.461 120.687 120.500 -0.456 0.000 2.159 210 R HA -0.150 4.170 4.340 -0.033 0.000 0.237 210 R C 1.478 177.680 176.300 -0.164 0.000 1.131 210 R CA 1.157 56.944 56.100 -0.523 0.000 0.982 210 R CB 0.173 29.881 30.300 -0.987 0.000 0.868 210 R HN 0.129 nan 8.270 nan 0.000 0.453 211 K N 0.437 120.755 120.400 -0.136 0.000 2.358 211 K HA 0.077 4.377 4.320 -0.033 0.000 0.197 211 K C -0.350 176.246 176.600 -0.007 0.000 1.025 211 K CA 0.006 56.254 56.287 -0.066 0.000 1.104 211 K CB 0.283 32.733 32.500 -0.083 0.000 0.855 211 K HN 0.232 nan 8.250 nan 0.000 0.531 212 D N 1.986 122.416 120.400 0.049 0.000 2.256 212 D HA 0.071 4.691 4.640 -0.033 0.000 0.250 212 D C -1.679 174.699 176.300 0.129 0.000 1.093 212 D CA -1.866 52.202 54.000 0.113 0.000 0.882 212 D CB 2.015 42.938 40.800 0.205 0.000 1.185 212 D HN -0.146 nan 8.370 nan 0.000 0.437 213 P HA -0.099 nan 4.420 nan 0.000 0.219 213 P C 0.858 178.156 177.300 -0.003 0.000 1.146 213 P CA 0.717 63.829 63.100 0.020 0.000 0.808 213 P CB 0.082 31.785 31.700 0.006 0.000 0.779 214 A N -1.857 120.951 122.820 -0.020 0.000 2.168 214 A HA -0.097 4.203 4.320 -0.033 0.000 0.215 214 A C 0.978 178.272 177.584 -0.483 0.000 1.152 214 A CA 0.895 52.788 52.037 -0.239 0.000 0.716 214 A CB -1.180 17.632 19.000 -0.314 0.000 0.794 214 A HN 0.216 nan 8.150 nan 0.000 0.465 215 Y N -0.886 119.449 120.300 0.058 0.000 2.707 215 Y HA 0.102 4.631 4.550 -0.034 0.000 0.249 215 Y C 2.097 178.050 175.900 0.088 0.000 1.166 215 Y CA 0.103 58.267 58.100 0.106 0.000 1.184 215 Y CB 0.035 38.611 38.460 0.194 0.000 1.240 215 Y HN 0.344 nan 8.280 nan 0.000 0.547 216 S N -1.026 114.709 115.700 0.058 0.000 2.442 216 S HA -0.181 4.269 4.470 -0.033 0.000 0.236 216 S C 1.084 175.550 174.600 -0.223 0.000 1.007 216 S CA 1.402 59.542 58.200 -0.100 0.000 0.965 216 S CB -0.422 62.630 63.200 -0.246 0.000 0.773 216 S HN 0.513 nan 8.310 nan 0.000 0.504 217 H N 0.313 119.438 119.070 0.092 0.000 2.549 217 H HA 0.406 4.942 4.556 -0.034 0.000 0.279 217 H C 0.005 175.376 175.328 0.072 0.000 1.018 217 H CA -0.157 55.932 56.048 0.069 0.000 1.175 217 H CB 0.088 29.869 29.762 0.032 0.000 1.485 217 H HN 0.272 nan 8.280 nan 0.000 0.543 218 V N 3.045 123.066 119.914 0.177 0.000 2.637 218 V HA -0.015 4.085 4.120 -0.033 0.000 0.296 218 V C 0.946 177.086 176.094 0.077 0.000 1.046 218 V CA -0.300 62.038 62.300 0.063 0.000 1.066 218 V CB 1.248 33.048 31.823 -0.038 0.000 0.968 218 V HN 0.406 nan 8.190 nan 0.000 0.483 219 S N 2.613 118.312 115.700 -0.002 0.000 2.580 219 S HA 0.129 4.579 4.470 -0.033 0.000 0.274 219 S C 0.688 175.368 174.600 0.132 0.000 1.329 219 S CA -0.591 57.650 58.200 0.069 0.000 1.036 219 S CB 0.977 64.203 63.200 0.044 0.000 0.919 219 S HN 0.689 nan 8.310 nan 0.000 0.515 220 D N 1.837 122.365 120.400 0.213 0.000 2.221 220 D HA -0.076 4.544 4.640 -0.033 0.000 0.204 220 D C 1.641 178.048 176.300 0.178 0.000 0.982 220 D CA 1.334 55.494 54.000 0.266 0.000 0.857 220 D CB -0.245 40.642 40.800 0.146 0.000 0.934 220 D HN 0.746 nan 8.370 nan 0.000 0.475 221 E N 0.199 120.464 120.200 0.108 0.000 2.058 221 E HA -0.141 4.188 4.350 -0.033 0.000 0.194 221 E C 1.917 178.564 176.600 0.078 0.000 0.997 221 E CA 0.339 56.792 56.400 0.089 0.000 0.801 221 E CB -0.290 29.461 29.700 0.086 0.000 0.746 221 E HN 0.168 nan 8.360 nan 0.000 0.450 222 L N -0.361 120.870 121.223 0.013 0.000 2.056 222 L HA -0.079 4.241 4.340 -0.033 0.000 0.207 222 L C 1.862 178.702 176.870 -0.050 0.000 1.078 222 L CA 1.603 56.409 54.840 -0.056 0.000 0.749 222 L CB -0.498 41.453 42.059 -0.180 0.000 0.901 222 L HN 0.122 nan 8.230 nan 0.000 0.433 223 F N -0.309 119.655 119.950 0.023 0.000 2.126 223 F HA -0.245 4.262 4.527 -0.033 0.000 0.299 223 F C 2.493 178.285 175.800 -0.013 0.000 1.096 223 F CA 1.282 59.277 58.000 -0.008 0.000 1.255 223 F CB -0.748 38.235 39.000 -0.029 0.000 0.997 223 F HN 0.214 nan 8.300 nan 0.000 0.479 224 A N -0.498 122.423 122.820 0.169 0.000 1.930 224 A HA -0.150 4.150 4.320 -0.033 0.000 0.217 224 A C 2.153 179.753 177.584 0.027 0.000 1.175 224 A CA 2.080 54.150 52.037 0.056 0.000 0.627 224 A CB -1.236 17.766 19.000 0.003 0.000 0.815 224 A HN 0.325 nan 8.150 nan 0.000 0.443 225 T N 0.490 115.081 114.554 0.062 0.000 2.788 225 T HA -0.114 4.215 4.350 -0.033 0.000 0.268 225 T C 1.751 176.562 174.700 0.185 0.000 1.044 225 T CA 1.550 63.717 62.100 0.111 0.000 1.139 225 T CB -0.437 68.562 68.868 0.218 0.000 0.867 225 T HN 0.443 nan 8.240 nan 0.000 0.454 226 I N 1.107 121.779 120.570 0.170 0.000 2.226 226 I HA -0.122 4.028 4.170 -0.033 0.000 0.245 226 I C 2.878 179.150 176.117 0.259 0.000 1.100 226 I CA 1.284 62.712 61.300 0.213 0.000 1.374 226 I CB -0.746 37.279 38.000 0.042 0.000 1.057 226 I HN 0.307 nan 8.210 nan 0.000 0.413 227 G N 0.551 109.451 108.800 0.167 0.000 2.446 227 G HA2 -0.193 3.747 3.960 -0.033 0.000 0.217 227 G HA3 -0.193 3.747 3.960 -0.033 0.000 0.217 227 G C 1.696 176.739 174.900 0.239 0.000 1.168 227 G CA 1.026 46.237 45.100 0.186 0.000 0.771 227 G HN 0.249 nan 8.290 nan 0.000 0.551 228 V N 1.727 121.717 119.914 0.125 0.000 2.358 228 V HA -0.178 3.922 4.120 -0.033 0.000 0.246 228 V C 3.333 179.584 176.094 0.263 0.000 1.047 228 V CA 2.464 64.810 62.300 0.076 0.000 1.035 228 V CB -0.996 30.652 31.823 -0.292 0.000 0.658 228 V HN 0.664 nan 8.190 nan 0.000 0.452 229 T N -2.083 112.664 114.554 0.322 0.000 2.857 229 T HA -0.124 4.206 4.350 -0.033 0.000 0.266 229 T C 1.795 176.666 174.700 0.284 0.000 1.048 229 T CA 1.272 63.585 62.100 0.355 0.000 1.139 229 T CB -0.524 68.560 68.868 0.361 0.000 0.874 229 T HN 0.286 nan 8.240 nan 0.000 0.455 230 F N 0.617 120.703 119.950 0.226 0.000 2.206 230 F HA 0.220 4.728 4.527 -0.032 0.000 0.298 230 F C 2.036 177.968 175.800 0.220 0.000 1.090 230 F CA -0.179 57.946 58.000 0.208 0.000 1.323 230 F CB -0.852 38.261 39.000 0.188 0.000 1.028 230 F HN 0.128 nan 8.300 nan 0.000 0.492 231 F N 0.685 120.802 119.950 0.279 0.000 2.069 231 F HA -0.124 4.382 4.527 -0.035 0.000 0.298 231 F C 2.409 178.226 175.800 0.028 0.000 1.113 231 F CA 1.975 60.070 58.000 0.158 0.000 1.214 231 F CB -0.898 38.198 39.000 0.161 0.000 0.978 231 F HN -0.050 nan 8.300 nan 0.000 0.474 232 G N -0.597 108.412 108.800 0.348 0.000 2.414 232 G HA2 -0.176 3.764 3.960 -0.033 0.000 0.215 232 G HA3 -0.176 3.764 3.960 -0.033 0.000 0.215 232 G C 1.781 176.702 174.900 0.034 0.000 1.188 232 G CA 0.781 46.078 45.100 0.329 0.000 0.783 232 G HN 0.610 nan 8.290 nan 0.000 0.537 233 A N 0.823 123.691 122.820 0.081 0.000 1.902 233 A HA 0.165 4.465 4.320 -0.033 0.000 0.217 233 A C 2.681 180.087 177.584 -0.296 0.000 1.181 233 A CA 2.133 54.097 52.037 -0.120 0.000 0.623 233 A CB -1.058 17.906 19.000 -0.061 0.000 0.818 233 A HN 0.524 nan 8.150 nan 0.000 0.443 234 G N -0.650 107.967 108.800 -0.304 0.000 2.404 234 G HA2 -0.089 3.851 3.960 -0.033 0.000 0.215 234 G HA3 -0.089 3.851 3.960 -0.033 0.000 0.215 234 G C 1.517 175.947 174.900 -0.784 0.000 1.174 234 G CA 1.230 46.097 45.100 -0.389 0.000 0.780 234 G HN 0.306 nan 8.290 nan 0.000 0.537 235 V N 0.675 119.957 119.914 -1.055 0.000 2.358 235 V HA -0.108 3.992 4.120 -0.033 0.000 0.246 235 V C 2.611 178.467 176.094 -0.395 0.000 1.047 235 V CA 1.441 63.272 62.300 -0.782 0.000 1.035 235 V CB -0.312 31.023 31.823 -0.814 0.000 0.658 235 V HN 0.328 nan 8.190 nan 0.000 0.452 236 I N -0.081 120.228 120.570 -0.436 0.000 2.315 236 I HA -0.170 3.979 4.170 -0.033 0.000 0.248 236 I C 2.436 178.357 176.117 -0.327 0.000 1.117 236 I CA 1.588 62.641 61.300 -0.413 0.000 1.404 236 I CB -0.194 37.272 38.000 -0.890 0.000 1.071 236 I HN 0.209 nan 8.210 nan 0.000 0.419 237 S N -0.617 114.884 115.700 -0.332 0.000 2.377 237 S HA -0.139 4.311 4.470 -0.033 0.000 0.223 237 S C 1.986 176.583 174.600 -0.006 0.000 1.030 237 S CA 1.601 59.705 58.200 -0.159 0.000 0.970 237 S CB -0.661 62.489 63.200 -0.083 0.000 0.830 237 S HN 0.701 nan 8.310 nan 0.000 0.473 238 T N 0.379 114.886 114.554 -0.077 0.000 2.812 238 T HA 0.024 4.354 4.350 -0.033 0.000 0.264 238 T C 2.044 176.733 174.700 -0.018 0.000 1.042 238 T CA 1.284 63.344 62.100 -0.067 0.000 1.140 238 T CB -1.027 67.576 68.868 -0.442 0.000 0.870 238 T HN 0.347 nan 8.240 nan 0.000 0.445 239 G N 1.200 109.952 108.800 -0.080 0.000 2.421 239 G HA2 -0.156 3.784 3.960 -0.033 0.000 0.216 239 G HA3 -0.156 3.784 3.960 -0.033 0.000 0.216 239 G C 1.898 176.832 174.900 0.057 0.000 1.171 239 G CA 1.006 46.115 45.100 0.015 0.000 0.775 239 G HN 0.563 nan 8.290 nan 0.000 0.543 240 S N 0.345 116.078 115.700 0.055 0.000 2.368 240 S HA -0.051 4.399 4.470 -0.033 0.000 0.224 240 S C 1.897 176.574 174.600 0.128 0.000 1.029 240 S CA 0.995 59.245 58.200 0.084 0.000 0.988 240 S CB -0.368 62.871 63.200 0.064 0.000 0.838 240 S HN 0.393 nan 8.310 nan 0.000 0.462 241 F N 2.691 122.671 119.950 0.051 0.000 2.102 241 F HA -0.063 4.443 4.527 -0.034 0.000 0.298 241 F C 1.900 177.760 175.800 0.100 0.000 1.105 241 F CA 0.923 58.969 58.000 0.076 0.000 1.239 241 F CB -0.707 38.336 39.000 0.071 0.000 0.991 241 F HN 0.152 nan 8.300 nan 0.000 0.474 242 L N 0.338 121.459 121.223 -0.169 0.000 2.046 242 L HA -0.159 4.161 4.340 -0.033 0.000 0.208 242 L C 2.237 178.992 176.870 -0.191 0.000 1.077 242 L CA 2.547 57.234 54.840 -0.256 0.000 0.747 242 L CB -1.440 40.635 42.059 0.027 0.000 0.896 242 L HN 0.234 nan 8.230 nan 0.000 0.432 243 T N -0.924 113.588 114.554 -0.071 0.000 2.684 243 T HA -0.188 4.142 4.350 -0.033 0.000 0.267 243 T C 1.731 176.415 174.700 -0.027 0.000 1.036 243 T CA 2.189 64.275 62.100 -0.023 0.000 1.148 243 T CB -0.657 68.214 68.868 0.006 0.000 0.863 243 T HN 0.690 nan 8.240 nan 0.000 0.436 244 T N 0.682 115.226 114.554 -0.018 0.000 2.904 244 T HA 0.198 4.528 4.350 -0.033 0.000 0.267 244 T C 2.260 176.935 174.700 -0.043 0.000 1.059 244 T CA 0.886 63.023 62.100 0.062 0.000 1.137 244 T CB -0.470 68.508 68.868 0.182 0.000 0.879 244 T HN 0.322 nan 8.240 nan 0.000 0.467 245 A N 1.775 124.426 122.820 -0.282 0.000 1.933 245 A HA 0.164 4.464 4.320 -0.033 0.000 0.218 245 A C 2.385 179.889 177.584 -0.133 0.000 1.175 245 A CA 1.145 52.998 52.037 -0.308 0.000 0.628 245 A CB -0.912 17.648 19.000 -0.733 0.000 0.814 245 A HN 0.535 nan 8.150 nan 0.000 0.444 246 L N -0.628 120.533 121.223 -0.104 0.000 2.083 246 L HA -0.189 4.131 4.340 -0.033 0.000 0.209 246 L C 2.437 179.309 176.870 0.004 0.000 1.083 246 L CA 1.226 56.049 54.840 -0.028 0.000 0.752 246 L CB -0.529 41.534 42.059 0.007 0.000 0.899 246 L HN 0.385 nan 8.230 nan 0.000 0.433 247 I N -0.911 119.674 120.570 0.026 0.000 2.179 247 I HA -0.271 3.879 4.170 -0.033 0.000 0.242 247 I C 2.625 178.778 176.117 0.061 0.000 1.088 247 I CA 1.134 62.473 61.300 0.065 0.000 1.357 247 I CB -0.308 37.773 38.000 0.135 0.000 1.051 247 I HN 0.143 nan 8.210 nan 0.000 0.409 248 S N 0.813 116.544 115.700 0.051 0.000 2.383 248 S HA -0.150 4.300 4.470 -0.033 0.000 0.229 248 S C 2.007 176.628 174.600 0.034 0.000 1.030 248 S CA 1.345 59.575 58.200 0.050 0.000 1.002 248 S CB -0.326 62.900 63.200 0.045 0.000 0.829 248 S HN 0.335 nan 8.310 nan 0.000 0.467 249 L N 0.535 121.770 121.223 0.019 0.000 2.072 249 L HA 0.017 4.337 4.340 -0.033 0.000 0.205 249 L C 2.139 179.020 176.870 0.020 0.000 1.079 249 L CA 0.940 55.790 54.840 0.017 0.000 0.752 249 L CB -0.349 41.714 42.059 0.008 0.000 0.906 249 L HN 0.290 nan 8.230 nan 0.000 0.436 250 I N -0.264 120.318 120.570 0.021 0.000 2.286 250 I HA -0.321 3.829 4.170 -0.033 0.000 0.248 250 I C 2.037 178.171 176.117 0.027 0.000 1.115 250 I CA 1.315 62.627 61.300 0.021 0.000 1.392 250 I CB -0.148 37.867 38.000 0.025 0.000 1.065 250 I HN 0.372 nan 8.210 nan 0.000 0.418 251 Q N 0.648 120.470 119.800 0.036 0.000 2.482 251 Q HA 0.034 4.354 4.340 -0.033 0.000 0.209 251 Q C 0.332 176.352 176.000 0.033 0.000 0.961 251 Q CA 0.470 56.296 55.803 0.038 0.000 0.945 251 Q CB -0.002 28.766 28.738 0.051 0.000 1.012 251 Q HN 0.404 nan 8.270 nan 0.000 0.515 252 R N 0.868 121.385 120.500 0.028 0.000 2.651 252 R HA 0.170 4.490 4.340 -0.033 0.000 0.282 252 R C -2.107 174.205 176.300 0.021 0.000 1.565 252 R CA -1.480 54.635 56.100 0.025 0.000 1.661 252 R CB 0.771 31.087 30.300 0.026 0.000 1.189 252 R HN 0.025 nan 8.270 nan 0.000 0.621 253 P HA -0.251 nan 4.420 nan 0.000 0.218 253 P C 1.161 178.471 177.300 0.016 0.000 1.148 253 P CA 1.184 64.292 63.100 0.013 0.000 0.822 253 P CB 0.398 32.104 31.700 0.009 0.000 0.784 254 Q N -0.640 119.171 119.800 0.018 0.000 2.050 254 Q HA -0.169 4.151 4.340 -0.033 0.000 0.202 254 Q C 2.124 178.139 176.000 0.026 0.000 0.980 254 Q CA 1.151 56.967 55.803 0.021 0.000 0.840 254 Q CB -0.582 28.167 28.738 0.019 0.000 0.898 254 Q HN 0.082 nan 8.270 nan 0.000 0.424 255 L N 0.992 122.230 121.223 0.025 0.000 2.056 255 L HA -0.158 4.162 4.340 -0.033 0.000 0.207 255 L C 2.505 179.396 176.870 0.035 0.000 1.078 255 L CA 1.859 56.715 54.840 0.028 0.000 0.749 255 L CB -0.627 41.447 42.059 0.024 0.000 0.901 255 L HN 0.168 nan 8.230 nan 0.000 0.433 256 R N -0.488 120.031 120.500 0.032 0.000 2.103 256 R HA -0.207 4.113 4.340 -0.033 0.000 0.242 256 R C 1.938 178.274 176.300 0.060 0.000 1.142 256 R CA 1.926 58.047 56.100 0.036 0.000 0.960 256 R CB -0.346 29.964 30.300 0.017 0.000 0.858 256 R HN 0.498 nan 8.270 nan 0.000 0.439 257 N N 0.955 119.686 118.700 0.051 0.000 2.142 257 N HA -0.163 4.557 4.740 -0.033 0.000 0.186 257 N C 1.747 177.317 175.510 0.100 0.000 1.023 257 N CA 0.908 54.004 53.050 0.076 0.000 0.852 257 N CB -0.446 38.069 38.487 0.046 0.000 0.998 257 N HN 0.168 nan 8.380 nan 0.000 0.424 258 L N 1.456 122.717 121.223 0.063 0.000 2.012 258 L HA -0.075 4.245 4.340 -0.033 0.000 0.210 258 L C 1.971 178.870 176.870 0.049 0.000 1.073 258 L CA 1.459 56.328 54.840 0.049 0.000 0.748 258 L CB -0.710 41.370 42.059 0.034 0.000 0.891 258 L HN 0.115 nan 8.230 nan 0.000 0.431 259 L N -1.296 119.961 121.223 0.057 0.000 2.141 259 L HA -0.217 4.103 4.340 -0.033 0.000 0.209 259 L C 2.673 179.578 176.870 0.058 0.000 1.094 259 L CA 1.342 56.212 54.840 0.050 0.000 0.763 259 L CB -1.024 41.066 42.059 0.051 0.000 0.908 259 L HN 0.516 nan 8.230 nan 0.000 0.437 260 H N 0.579 119.650 119.070 0.002 0.000 2.321 260 H HA -0.214 4.321 4.556 -0.034 0.000 0.300 260 H C 2.091 177.419 175.328 0.000 0.000 1.087 260 H CA 1.971 58.018 56.048 -0.002 0.000 1.319 260 H CB 0.321 30.081 29.762 -0.004 0.000 1.379 260 H HN 0.408 nan 8.280 nan 0.000 0.501 261 E N 0.718 120.888 120.200 -0.051 0.000 2.152 261 E HA -0.071 4.259 4.350 -0.033 0.000 0.192 261 E C 0.084 176.633 176.600 -0.086 0.000 0.983 261 E CA 0.654 57.002 56.400 -0.087 0.000 0.818 261 E CB 0.297 30.007 29.700 0.016 0.000 0.758 261 E HN 0.362 nan 8.360 nan 0.000 0.467 262 K N 0.865 121.237 120.400 -0.047 0.000 2.842 262 K HA 0.212 4.512 4.320 -0.033 0.000 0.176 262 K C -2.272 174.315 176.600 -0.022 0.000 1.080 262 K CA -1.438 54.831 56.287 -0.030 0.000 0.954 262 K CB 1.729 34.224 32.500 -0.008 0.000 1.203 262 K HN 0.017 nan 8.250 nan 0.000 0.611 263 P HA -0.224 nan 4.420 nan 0.000 0.228 263 P C 0.894 178.194 177.300 -0.000 0.000 1.151 263 P CA 1.083 64.172 63.100 -0.020 0.000 0.770 263 P CB 0.302 31.980 31.700 -0.037 0.000 0.786 264 E N 0.707 120.906 120.200 -0.002 0.000 2.338 264 E HA -0.117 4.213 4.350 -0.033 0.000 0.197 264 E C 1.634 178.245 176.600 0.019 0.000 1.007 264 E CA 0.733 57.138 56.400 0.009 0.000 0.849 264 E CB -1.045 28.659 29.700 0.006 0.000 0.774 264 E HN 0.338 nan 8.360 nan 0.000 0.506 265 L N 0.574 121.808 121.223 0.019 0.000 2.591 265 L HA 0.141 4.461 4.340 -0.033 0.000 0.228 265 L C 2.339 179.231 176.870 0.037 0.000 1.133 265 L CA -0.065 54.791 54.840 0.027 0.000 0.880 265 L CB -0.265 41.808 42.059 0.023 0.000 1.033 265 L HN 0.019 nan 8.230 nan 0.000 0.450 266 I N 0.772 121.365 120.570 0.038 0.000 2.163 266 I HA -0.214 3.936 4.170 -0.033 0.000 0.243 266 I C -0.232 175.925 176.117 0.067 0.000 1.085 266 I CA 1.558 62.888 61.300 0.050 0.000 1.347 266 I CB -1.209 36.818 38.000 0.045 0.000 1.044 266 I HN 0.223 nan 8.210 nan 0.000 0.408 267 P HA -0.199 nan 4.420 nan 0.000 0.215 267 P C 1.487 178.840 177.300 0.088 0.000 1.157 267 P CA 1.937 65.088 63.100 0.085 0.000 0.868 267 P CB -0.034 31.711 31.700 0.074 0.000 0.788 268 A N -0.344 122.518 122.820 0.069 0.000 1.933 268 A HA -0.075 4.224 4.320 -0.033 0.000 0.218 268 A C 2.480 180.099 177.584 0.059 0.000 1.175 268 A CA 2.032 54.108 52.037 0.064 0.000 0.628 268 A CB -1.867 17.162 19.000 0.049 0.000 0.814 268 A HN 0.278 nan 8.150 nan 0.000 0.444 269 G N -0.535 108.299 108.800 0.056 0.000 2.421 269 G HA2 -0.127 3.813 3.960 -0.033 0.000 0.216 269 G HA3 -0.127 3.813 3.960 -0.033 0.000 0.216 269 G C 1.498 176.442 174.900 0.074 0.000 1.171 269 G CA 1.228 46.359 45.100 0.052 0.000 0.775 269 G HN 0.316 nan 8.290 nan 0.000 0.543 270 V N 0.573 120.551 119.914 0.107 0.000 2.407 270 V HA -0.127 3.973 4.120 -0.033 0.000 0.248 270 V C 2.703 178.885 176.094 0.146 0.000 1.055 270 V CA 2.151 64.555 62.300 0.172 0.000 1.049 270 V CB -0.243 31.704 31.823 0.208 0.000 0.662 270 V HN 0.336 nan 8.190 nan 0.000 0.455 271 E N 0.096 120.361 120.200 0.108 0.000 2.077 271 E HA -0.178 4.152 4.350 -0.033 0.000 0.193 271 E C 2.290 178.861 176.600 -0.048 0.000 0.989 271 E CA 1.092 57.542 56.400 0.084 0.000 0.800 271 E CB -0.157 29.632 29.700 0.148 0.000 0.746 271 E HN 0.501 nan 8.360 nan 0.000 0.452 272 E N -0.127 120.054 120.200 -0.032 0.000 2.107 272 E HA -0.105 4.225 4.350 -0.033 0.000 0.191 272 E C 2.248 178.784 176.600 -0.107 0.000 0.982 272 E CA 0.542 56.877 56.400 -0.108 0.000 0.809 272 E CB -0.162 29.496 29.700 -0.070 0.000 0.756 272 E HN 0.336 nan 8.360 nan 0.000 0.459 273 L N 0.453 121.683 121.223 0.012 0.000 2.083 273 L HA -0.183 4.137 4.340 -0.033 0.000 0.209 273 L C 2.576 179.562 176.870 0.193 0.000 1.083 273 L CA 0.766 55.675 54.840 0.116 0.000 0.752 273 L CB -0.451 41.716 42.059 0.179 0.000 0.899 273 L HN 0.102 nan 8.230 nan 0.000 0.433 274 L N -0.572 120.654 121.223 0.004 0.000 2.017 274 L HA -0.233 4.087 4.340 -0.033 0.000 0.208 274 L C 2.873 179.415 176.870 -0.546 0.000 1.073 274 L CA 1.318 55.885 54.840 -0.453 0.000 0.745 274 L CB -0.506 41.084 42.059 -0.781 0.000 0.894 274 L HN 0.231 nan 8.230 nan 0.000 0.432 275 R N 1.032 121.149 120.500 -0.640 0.000 2.091 275 R HA -0.192 4.128 4.340 -0.033 0.000 0.238 275 R C 2.111 178.157 176.300 -0.423 0.000 1.136 275 R CA 2.032 57.769 56.100 -0.605 0.000 0.959 275 R CB -0.355 29.564 30.300 -0.635 0.000 0.856 275 R HN 0.557 nan 8.270 nan 0.000 0.437 276 I N -0.324 120.052 120.570 -0.325 0.000 3.735 276 I HA 0.101 4.251 4.170 -0.033 0.000 0.310 276 I C -0.224 175.999 176.117 0.176 0.000 1.270 276 I CA -0.498 60.659 61.300 -0.238 0.000 1.207 276 I CB -0.549 37.332 38.000 -0.198 0.000 1.013 276 I HN 0.041 nan 8.210 nan 0.000 0.452 277 N N 1.770 120.542 118.700 0.119 0.000 2.513 277 N HA 0.138 4.858 4.740 -0.033 0.000 0.268 277 N C 0.015 175.658 175.510 0.222 0.000 1.180 277 N CA -0.216 52.967 53.050 0.221 0.000 0.948 277 N CB 0.916 39.602 38.487 0.331 0.000 1.083 277 N HN 0.353 nan 8.380 nan 0.000 0.455 278 L N 1.994 123.335 121.223 0.198 0.000 2.872 278 L HA 0.157 4.477 4.340 -0.033 0.000 0.245 278 L C 1.788 178.751 176.870 0.156 0.000 1.211 278 L CA -0.246 54.676 54.840 0.136 0.000 1.013 278 L CB -0.351 41.723 42.059 0.025 0.000 1.326 278 L HN 0.835 nan 8.230 nan 0.000 0.525 279 S N -0.043 115.796 115.700 0.233 0.000 2.382 279 S HA -0.104 4.346 4.470 -0.033 0.000 0.228 279 S C 0.683 175.376 174.600 0.156 0.000 1.027 279 S CA 0.603 58.936 58.200 0.221 0.000 0.991 279 S CB -0.377 62.983 63.200 0.267 0.000 0.823 279 S HN 0.193 nan 8.310 nan 0.000 0.469 280 F N 2.032 121.998 119.950 0.026 0.000 2.471 280 F HA 0.596 5.102 4.527 -0.037 0.000 0.365 280 F C 1.397 177.191 175.800 -0.010 0.000 1.095 280 F CA -0.596 57.401 58.000 -0.006 0.000 1.174 280 F CB 0.737 39.718 39.000 -0.033 0.000 1.105 280 F HN 0.215 nan 8.300 nan 0.000 0.535 281 A N 2.250 125.100 122.820 0.049 0.000 2.067 281 A HA 0.038 4.338 4.320 -0.033 0.000 0.217 281 A C 0.467 178.051 177.584 -0.001 0.000 1.156 281 A CA 0.749 52.803 52.037 0.029 0.000 0.683 281 A CB -0.250 18.768 19.000 0.031 0.000 0.808 281 A HN 0.582 nan 8.150 nan 0.000 0.455 282 D N -1.497 118.916 120.400 0.021 0.000 2.490 282 D HA 0.464 5.084 4.640 -0.033 0.000 0.232 282 D C 0.216 176.526 176.300 0.016 0.000 1.053 282 D CA -0.041 53.948 54.000 -0.018 0.000 0.914 282 D CB 1.381 42.166 40.800 -0.024 0.000 1.431 282 D HN 0.145 nan 8.370 nan 0.000 0.483 283 G N 0.142 108.916 108.800 -0.043 0.000 2.614 283 G HA2 0.308 4.248 3.960 -0.033 0.000 0.239 283 G HA3 0.308 4.248 3.960 -0.033 0.000 0.239 283 G C 0.251 175.146 174.900 -0.007 0.000 1.240 283 G CA -0.434 44.646 45.100 -0.033 0.000 0.842 283 G HN 0.365 nan 8.290 nan 0.000 0.584 284 L N 3.040 124.248 121.223 -0.026 0.000 2.410 284 L HA 0.224 4.544 4.340 -0.033 0.000 0.273 284 L C -1.644 175.199 176.870 -0.044 0.000 1.144 284 L CA -1.417 53.407 54.840 -0.027 0.000 0.863 284 L CB 0.994 43.010 42.059 -0.071 0.000 1.140 284 L HN 0.357 nan 8.230 nan 0.000 0.463 285 P HA 0.384 nan 4.420 nan 0.000 0.288 285 P C -1.045 176.235 177.300 -0.034 0.000 1.267 285 P CA -0.650 62.429 63.100 -0.035 0.000 0.815 285 P CB 1.617 33.297 31.700 -0.033 0.000 0.989 286 R N 1.763 122.265 120.500 0.003 0.000 2.698 286 R HA 0.539 4.859 4.340 -0.033 0.000 0.275 286 R C -1.032 175.342 176.300 0.122 0.000 1.001 286 R CA -1.118 55.019 56.100 0.061 0.000 0.896 286 R CB 1.664 32.025 30.300 0.102 0.000 1.218 286 R HN 0.422 nan 8.270 nan 0.000 0.462 287 L N 1.464 122.767 121.223 0.133 0.000 2.307 287 L HA 0.577 4.897 4.340 -0.033 0.000 0.284 287 L C -0.124 176.855 176.870 0.182 0.000 1.023 287 L CA -0.305 54.620 54.840 0.142 0.000 0.810 287 L CB 1.688 43.793 42.059 0.076 0.000 1.231 287 L HN 0.842 nan 8.230 nan 0.000 0.423 288 A N 2.276 125.224 122.820 0.214 0.000 2.488 288 A HA 0.390 4.690 4.320 -0.033 0.000 0.249 288 A C 0.936 178.509 177.584 -0.019 0.000 1.083 288 A CA 0.474 52.555 52.037 0.074 0.000 0.768 288 A CB -0.131 18.937 19.000 0.113 0.000 1.017 288 A HN 0.879 nan 8.150 nan 0.000 0.496 289 T N -0.952 113.537 114.554 -0.108 0.000 3.092 289 T HA 0.587 4.917 4.350 -0.033 0.000 0.258 289 T C 0.314 174.958 174.700 -0.093 0.000 1.031 289 T CA 0.529 62.585 62.100 -0.073 0.000 0.925 289 T CB -0.242 68.591 68.868 -0.059 0.000 1.036 289 T HN 1.695 nan 8.240 nan 0.000 0.544 290 A N 0.550 123.288 122.820 -0.137 0.000 2.599 290 A HA 0.622 4.922 4.320 -0.033 0.000 0.290 290 A C -1.887 175.627 177.584 -0.117 0.000 1.101 290 A CA -0.943 51.022 52.037 -0.119 0.000 0.674 290 A CB 0.794 19.709 19.000 -0.142 0.000 1.277 290 A HN 0.171 nan 8.150 nan 0.000 0.419 291 D N 0.918 121.272 120.400 -0.078 0.000 2.317 291 D HA 0.547 5.167 4.640 -0.033 0.000 0.252 291 D C -0.658 175.592 176.300 -0.084 0.000 1.174 291 D CA 0.854 54.820 54.000 -0.057 0.000 0.866 291 D CB 0.629 41.411 40.800 -0.030 0.000 1.127 291 D HN 0.395 nan 8.370 nan 0.000 0.467 292 I N 1.833 122.356 120.570 -0.079 0.000 2.499 292 I HA 0.098 4.248 4.170 -0.033 0.000 0.288 292 I C -0.183 175.934 176.117 0.001 0.000 1.048 292 I CA -1.020 60.239 61.300 -0.069 0.000 1.062 292 I CB 2.127 40.006 38.000 -0.202 0.000 1.238 292 I HN 0.014 nan 8.210 nan 0.000 0.426 293 Q N 5.113 124.907 119.800 -0.010 0.000 2.293 293 Q HA 0.403 4.723 4.340 -0.033 0.000 0.263 293 Q C -1.323 174.676 176.000 -0.002 0.000 1.002 293 Q CA 0.066 55.853 55.803 -0.027 0.000 0.910 293 Q CB 1.087 29.808 28.738 -0.028 0.000 1.185 293 Q HN 0.490 nan 8.270 nan 0.000 0.401 294 V N 5.545 125.427 119.914 -0.053 0.000 2.380 294 V HA 0.650 4.750 4.120 -0.033 0.000 0.286 294 V C 0.808 176.843 176.094 -0.100 0.000 1.015 294 V CA 0.077 62.340 62.300 -0.062 0.000 0.834 294 V CB 0.470 32.232 31.823 -0.103 0.000 1.009 294 V HN 1.058 nan 8.190 nan 0.000 0.428 295 G N 4.945 113.709 108.800 -0.060 0.000 2.611 295 G HA2 -0.296 3.644 3.960 -0.033 0.000 0.301 295 G HA3 -0.296 3.644 3.960 -0.033 0.000 0.301 295 G C 0.450 175.312 174.900 -0.063 0.000 1.233 295 G CA 0.712 45.781 45.100 -0.052 0.000 0.993 295 G HN 0.617 nan 8.290 nan 0.000 0.553 296 D N 0.298 120.659 120.400 -0.065 0.000 2.363 296 D HA 0.256 4.876 4.640 -0.033 0.000 0.226 296 D C 0.820 177.056 176.300 -0.107 0.000 1.020 296 D CA 0.696 54.659 54.000 -0.061 0.000 0.892 296 D CB 0.308 41.089 40.800 -0.032 0.000 0.900 296 D HN 0.293 nan 8.370 nan 0.000 0.531 297 V N 1.544 121.344 119.914 -0.191 0.000 2.495 297 V HA 0.203 4.303 4.120 -0.033 0.000 0.298 297 V C -0.278 175.641 176.094 -0.293 0.000 1.031 297 V CA -1.012 61.087 62.300 -0.334 0.000 0.871 297 V CB 2.428 33.814 31.823 -0.729 0.000 0.988 297 V HN -0.105 nan 8.190 nan 0.000 0.432 298 L N 6.966 128.057 121.223 -0.219 0.000 2.282 298 L HA 0.439 4.759 4.340 -0.033 0.000 0.287 298 L C -0.076 176.690 176.870 -0.173 0.000 1.075 298 L CA 0.367 55.121 54.840 -0.144 0.000 0.839 298 L CB 0.953 42.973 42.059 -0.065 0.000 1.219 298 L HN 0.461 nan 8.230 nan 0.000 0.434 299 V N 5.973 125.772 119.914 -0.192 0.000 2.572 299 V HA 0.241 4.341 4.120 -0.033 0.000 0.291 299 V C 0.769 176.889 176.094 0.044 0.000 1.039 299 V CA -0.297 61.933 62.300 -0.116 0.000 1.055 299 V CB 0.716 32.535 31.823 -0.006 0.000 0.969 299 V HN 0.753 nan 8.190 nan 0.000 0.482 300 R N 3.910 124.493 120.500 0.137 0.000 2.457 300 R HA 0.309 4.629 4.340 -0.033 0.000 0.284 300 R C 0.319 176.674 176.300 0.092 0.000 1.024 300 R CA -0.791 55.369 56.100 0.101 0.000 1.025 300 R CB 0.659 31.029 30.300 0.118 0.000 1.063 300 R HN 0.731 nan 8.270 nan 0.000 0.493 301 K N 1.768 122.191 120.400 0.039 0.000 2.530 301 K HA -0.102 4.198 4.320 -0.033 0.000 0.280 301 K C 0.432 177.062 176.600 0.051 0.000 1.004 301 K CA 1.652 57.954 56.287 0.024 0.000 1.071 301 K CB 0.063 32.563 32.500 0.001 0.000 0.876 301 K HN 0.864 nan 8.250 nan 0.000 0.487 302 G N 2.706 111.539 108.800 0.055 0.000 2.195 302 G HA2 -0.246 3.694 3.960 -0.033 0.000 0.246 302 G HA3 -0.246 3.694 3.960 -0.033 0.000 0.246 302 G C -0.267 174.683 174.900 0.083 0.000 0.984 302 G CA 0.227 45.361 45.100 0.057 0.000 0.633 302 G HN 0.676 nan 8.290 nan 0.000 0.525 303 E N -0.313 119.969 120.200 0.137 0.000 2.319 303 E HA 0.581 4.911 4.350 -0.033 0.000 0.268 303 E C -0.291 176.424 176.600 0.193 0.000 1.050 303 E CA -0.873 55.634 56.400 0.179 0.000 0.878 303 E CB 1.833 31.727 29.700 0.323 0.000 1.066 303 E HN 0.201 nan 8.360 nan 0.000 0.406 304 L N 2.477 123.783 121.223 0.138 0.000 2.292 304 L HA 0.298 4.618 4.340 -0.033 0.000 0.284 304 L C -1.151 175.817 176.870 0.163 0.000 1.065 304 L CA -0.394 54.511 54.840 0.109 0.000 0.806 304 L CB 1.371 43.446 42.059 0.026 0.000 1.175 304 L HN 0.232 nan 8.230 nan 0.000 0.431 305 V N 6.287 126.281 119.914 0.134 0.000 2.604 305 V HA 0.486 4.585 4.120 -0.033 0.000 0.305 305 V C -0.320 175.775 176.094 0.002 0.000 1.043 305 V CA -0.624 61.730 62.300 0.089 0.000 0.888 305 V CB 1.772 33.565 31.823 -0.050 0.000 0.995 305 V HN 0.594 nan 8.190 nan 0.000 0.429 306 L N 4.716 125.935 121.223 -0.005 0.000 2.325 306 L HA 0.571 4.891 4.340 -0.033 0.000 0.281 306 L C -0.664 176.172 176.870 -0.057 0.000 1.004 306 L CA -0.768 54.050 54.840 -0.038 0.000 0.823 306 L CB 2.013 44.047 42.059 -0.042 0.000 1.236 306 L HN 0.357 nan 8.230 nan 0.000 0.415 307 V N 4.725 124.593 119.914 -0.077 0.000 2.334 307 V HA 0.170 4.270 4.120 -0.033 0.000 0.267 307 V C 0.093 176.146 176.094 -0.070 0.000 1.040 307 V CA -0.403 61.843 62.300 -0.090 0.000 0.866 307 V CB 1.481 33.233 31.823 -0.117 0.000 1.019 307 V HN 0.433 nan 8.190 nan 0.000 0.468 308 L N 6.202 127.395 121.223 -0.050 0.000 2.342 308 L HA 0.290 4.610 4.340 -0.033 0.000 0.285 308 L C 1.063 177.927 176.870 -0.010 0.000 1.095 308 L CA 0.613 55.434 54.840 -0.033 0.000 0.843 308 L CB 0.429 42.477 42.059 -0.018 0.000 1.201 308 L HN 0.562 nan 8.230 nan 0.000 0.445 309 L N 3.567 124.775 121.223 -0.024 0.000 2.046 309 L HA -0.152 4.168 4.340 -0.033 0.000 0.208 309 L C 2.248 179.173 176.870 0.091 0.000 1.077 309 L CA 1.336 56.166 54.840 -0.018 0.000 0.747 309 L CB -0.507 41.484 42.059 -0.113 0.000 0.896 309 L HN 0.776 nan 8.230 nan 0.000 0.432 310 E N 0.639 120.912 120.200 0.121 0.000 2.274 310 E HA -0.132 4.197 4.350 -0.033 0.000 0.194 310 E C 2.015 178.772 176.600 0.262 0.000 0.996 310 E CA 1.233 57.784 56.400 0.251 0.000 0.840 310 E CB -0.433 29.329 29.700 0.103 0.000 0.772 310 E HN 0.411 nan 8.360 nan 0.000 0.491 311 G N 1.809 110.700 108.800 0.153 0.000 2.459 311 G HA2 -0.241 3.699 3.960 -0.033 0.000 0.217 311 G HA3 -0.241 3.699 3.960 -0.033 0.000 0.217 311 G C 1.822 176.855 174.900 0.221 0.000 1.183 311 G CA 1.749 46.945 45.100 0.159 0.000 0.776 311 G HN 0.483 nan 8.290 nan 0.000 0.552 312 A N 1.060 123.995 122.820 0.192 0.000 1.877 312 A HA -0.065 4.235 4.320 -0.033 0.000 0.216 312 A C 2.241 180.106 177.584 0.470 0.000 1.186 312 A CA 1.885 54.079 52.037 0.263 0.000 0.620 312 A CB -0.415 18.627 19.000 0.069 0.000 0.822 312 A HN 0.345 nan 8.150 nan 0.000 0.443 313 N N -1.210 117.738 118.700 0.413 0.000 2.409 313 N HA 0.014 4.734 4.740 -0.033 0.000 0.179 313 N C 0.286 175.936 175.510 0.233 0.000 1.032 313 N CA 0.795 54.072 53.050 0.378 0.000 0.898 313 N CB -0.255 38.324 38.487 0.152 0.000 0.971 313 N HN 0.472 nan 8.380 nan 0.000 0.441 314 F N 0.376 120.458 119.950 0.221 0.000 2.647 314 F HA 0.188 4.695 4.527 -0.033 0.000 0.300 314 F C 0.604 176.527 175.800 0.205 0.000 1.106 314 F CA -0.918 57.188 58.000 0.175 0.000 1.313 314 F CB 0.134 39.194 39.000 0.101 0.000 1.007 314 F HN -0.229 nan 8.300 nan 0.000 0.536 315 D N 2.902 123.544 120.400 0.404 0.000 2.338 315 D HA 0.068 4.688 4.640 -0.033 0.000 0.255 315 D C -1.575 174.857 176.300 0.220 0.000 1.237 315 D CA -2.110 52.060 54.000 0.282 0.000 0.883 315 D CB 1.449 42.412 40.800 0.273 0.000 1.087 315 D HN 0.042 nan 8.370 nan 0.000 0.485 316 P HA -0.067 nan 4.420 nan 0.000 0.233 316 P C 0.682 178.012 177.300 0.051 0.000 1.167 316 P CA 0.486 63.655 63.100 0.115 0.000 0.770 316 P CB 0.597 32.354 31.700 0.096 0.000 0.837 317 E N -1.009 119.217 120.200 0.043 0.000 2.274 317 E HA -0.150 4.180 4.350 -0.033 0.000 0.194 317 E C 1.671 178.217 176.600 -0.089 0.000 0.996 317 E CA 0.965 57.361 56.400 -0.006 0.000 0.840 317 E CB -0.497 29.216 29.700 0.021 0.000 0.772 317 E HN 0.506 nan 8.360 nan 0.000 0.491 318 H N -1.589 117.323 119.070 -0.264 0.000 2.545 318 H HA 0.217 4.754 4.556 -0.032 0.000 0.283 318 H C -0.264 174.667 175.328 -0.661 0.000 0.997 318 H CA 0.287 55.959 56.048 -0.627 0.000 1.269 318 H CB 0.497 29.552 29.762 -1.178 0.000 1.451 318 H HN -0.105 nan 8.280 nan 0.000 0.508 319 F N 1.995 121.894 119.950 -0.084 0.000 2.564 319 F HA 0.358 4.865 4.527 -0.035 0.000 0.368 319 F C -2.434 173.334 175.800 -0.055 0.000 1.127 319 F CA -2.600 55.346 58.000 -0.089 0.000 1.170 319 F CB 1.474 40.455 39.000 -0.031 0.000 1.397 319 F HN -0.006 nan 8.300 nan 0.000 0.493 320 P HA -0.058 nan 4.420 nan 0.000 0.267 320 P C 0.061 177.399 177.300 0.063 0.000 1.200 320 P CA 0.295 63.427 63.100 0.053 0.000 0.772 320 P CB 0.435 32.142 31.700 0.011 0.000 0.855 321 N N 2.299 121.033 118.700 0.058 0.000 2.667 321 N HA -0.140 4.580 4.740 -0.033 0.000 0.263 321 N C -1.377 174.162 175.510 0.048 0.000 1.038 321 N CA 0.266 53.347 53.050 0.052 0.000 0.749 321 N CB -0.670 37.837 38.487 0.034 0.000 0.892 321 N HN 0.292 nan 8.380 nan 0.000 0.546 322 P HA -0.031 nan 4.420 nan 0.000 0.222 322 P C 1.345 178.598 177.300 -0.079 0.000 1.147 322 P CA 1.531 64.642 63.100 0.018 0.000 0.790 322 P CB -0.178 31.606 31.700 0.141 0.000 0.780 323 G N -0.710 108.142 108.800 0.088 0.000 2.813 323 G HA2 -0.016 3.924 3.960 -0.033 0.000 0.209 323 G HA3 -0.016 3.924 3.960 -0.033 0.000 0.209 323 G C 0.489 175.415 174.900 0.044 0.000 1.150 323 G CA 0.102 45.288 45.100 0.143 0.000 0.785 323 G HN 0.230 nan 8.290 nan 0.000 0.535 324 S N -0.038 115.661 115.700 -0.002 0.000 2.508 324 S HA 0.466 4.916 4.470 -0.033 0.000 0.284 324 S C -0.020 174.551 174.600 -0.048 0.000 1.192 324 S CA -0.468 57.728 58.200 -0.008 0.000 1.070 324 S CB 1.562 64.766 63.200 0.007 0.000 1.004 324 S HN 0.135 nan 8.310 nan 0.000 0.493 325 I N 3.527 124.076 120.570 -0.035 0.000 2.436 325 I HA 0.142 4.291 4.170 -0.033 0.000 0.289 325 I C 0.289 176.391 176.117 -0.024 0.000 1.083 325 I CA 0.392 61.665 61.300 -0.044 0.000 1.372 325 I CB 0.321 38.307 38.000 -0.023 0.000 1.408 325 I HN 0.543 nan 8.210 nan 0.000 0.516 326 E N 6.987 127.169 120.200 -0.030 0.000 2.218 326 E HA 0.276 4.606 4.350 -0.033 0.000 0.263 326 E C 0.116 176.715 176.600 -0.002 0.000 0.879 326 E CA -0.505 55.889 56.400 -0.009 0.000 0.762 326 E CB 2.206 31.903 29.700 -0.004 0.000 1.166 326 E HN 0.592 nan 8.360 nan 0.000 0.415 327 L N 1.796 123.024 121.223 0.008 0.000 2.599 327 L HA -0.003 4.317 4.340 -0.033 0.000 0.230 327 L C 0.676 177.560 176.870 0.023 0.000 1.141 327 L CA 0.543 55.393 54.840 0.017 0.000 0.877 327 L CB -0.221 41.850 42.059 0.020 0.000 1.009 327 L HN 0.461 nan 8.230 nan 0.000 0.447 328 D N -1.250 119.162 120.400 0.021 0.000 2.623 328 D HA 0.063 4.683 4.640 -0.033 0.000 0.252 328 D C 0.464 176.780 176.300 0.025 0.000 1.294 328 D CA -0.412 53.601 54.000 0.022 0.000 0.824 328 D CB 0.073 40.883 40.800 0.016 0.000 1.070 328 D HN 0.029 nan 8.370 nan 0.000 0.487 329 R N 1.340 121.861 120.500 0.035 0.000 2.643 329 R HA 0.201 4.521 4.340 -0.033 0.000 0.270 329 R C -1.314 175.013 176.300 0.045 0.000 1.061 329 R CA -0.911 55.218 56.100 0.047 0.000 1.107 329 R CB 0.525 30.875 30.300 0.085 0.000 0.999 329 R HN 0.056 nan 8.270 nan 0.000 0.460 330 P HA -0.043 nan 4.420 nan 0.000 0.245 330 P C -0.642 176.671 177.300 0.021 0.000 1.206 330 P CA 0.935 64.042 63.100 0.012 0.000 0.781 330 P CB 0.047 31.736 31.700 -0.017 0.000 0.994 331 N N -0.719 118.013 118.700 0.053 0.000 2.610 331 N HA 0.197 4.917 4.740 -0.033 0.000 0.307 331 N C -1.814 173.842 175.510 0.243 0.000 1.813 331 N CA -1.495 51.610 53.050 0.090 0.000 0.901 331 N CB 0.552 39.008 38.487 -0.052 0.000 1.354 331 N HN -0.043 nan 8.380 nan 0.000 0.491 332 P HA -0.125 nan 4.420 nan 0.000 0.221 332 P C 1.190 178.651 177.300 0.267 0.000 1.150 332 P CA 1.439 64.665 63.100 0.210 0.000 0.800 332 P CB 0.130 31.910 31.700 0.133 0.000 0.787 333 T N -3.595 111.073 114.554 0.189 0.000 3.086 333 T HA 0.070 4.400 4.350 -0.033 0.000 0.250 333 T C 1.518 176.179 174.700 -0.066 0.000 1.074 333 T CA 0.430 62.573 62.100 0.072 0.000 0.988 333 T CB -0.934 67.982 68.868 0.079 0.000 0.988 333 T HN 0.119 nan 8.240 nan 0.000 0.530 334 S N 1.071 116.882 115.700 0.186 0.000 2.660 334 S HA 0.048 4.498 4.470 -0.033 0.000 0.223 334 S C 0.655 175.514 174.600 0.432 0.000 0.963 334 S CA -0.548 57.812 58.200 0.267 0.000 0.932 334 S CB -1.112 62.306 63.200 0.364 0.000 0.775 334 S HN 0.906 nan 8.310 nan 0.000 0.531 335 H N 0.398 119.807 119.070 0.564 0.000 2.639 335 H HA 0.444 4.980 4.556 -0.034 0.000 0.373 335 H C 0.551 176.035 175.328 0.260 0.000 1.372 335 H CA -0.817 55.517 56.048 0.476 0.000 1.448 335 H CB 0.199 30.028 29.762 0.111 0.000 1.544 335 H HN 0.124 nan 8.280 nan 0.000 0.615 336 L N 0.655 122.079 121.223 0.334 0.000 2.872 336 L HA 0.335 4.655 4.340 -0.033 0.000 0.245 336 L C 1.802 178.694 176.870 0.037 0.000 1.211 336 L CA 0.234 55.151 54.840 0.129 0.000 1.013 336 L CB -0.172 41.882 42.059 -0.010 0.000 1.326 336 L HN 0.884 nan 8.230 nan 0.000 0.525 337 A N 0.136 123.045 122.820 0.148 0.000 2.019 337 A HA -0.115 4.185 4.320 -0.033 0.000 0.219 337 A C 1.471 178.720 177.584 -0.559 0.000 1.164 337 A CA 1.500 53.332 52.037 -0.341 0.000 0.644 337 A CB -0.358 18.235 19.000 -0.678 0.000 0.805 337 A HN 0.396 nan 8.150 nan 0.000 0.449 338 F N -0.633 119.230 119.950 -0.144 0.000 2.641 338 F HA 0.440 4.946 4.527 -0.034 0.000 0.302 338 F C 1.562 177.070 175.800 -0.487 0.000 1.098 338 F CA 0.106 57.855 58.000 -0.419 0.000 1.318 338 F CB -0.267 38.348 39.000 -0.642 0.000 1.035 338 F HN 0.439 nan 8.300 nan 0.000 0.551 339 G N 1.170 109.889 108.800 -0.134 0.000 2.593 339 G HA2 -0.167 3.773 3.960 -0.033 0.000 0.237 339 G HA3 -0.167 3.773 3.960 -0.033 0.000 0.237 339 G C -0.577 174.434 174.900 0.185 0.000 1.312 339 G CA -0.334 44.737 45.100 -0.048 0.000 0.896 339 G HN 0.505 nan 8.290 nan 0.000 0.574 340 R N -1.227 119.408 120.500 0.226 0.000 2.664 340 R HA 0.632 4.952 4.340 -0.033 0.000 0.260 340 R C 0.610 177.025 176.300 0.192 0.000 1.062 340 R CA 1.387 57.639 56.100 0.253 0.000 0.902 340 R CB 0.844 31.187 30.300 0.072 0.000 1.258 340 R HN 2.900 nan 8.270 nan 0.000 0.465 341 G N 2.020 110.906 108.800 0.144 0.000 2.512 341 G HA2 -0.362 3.578 3.960 -0.033 0.000 0.240 341 G HA3 -0.362 3.578 3.960 -0.033 0.000 0.240 341 G C 0.346 175.309 174.900 0.105 0.000 1.246 341 G CA 0.509 45.666 45.100 0.094 0.000 0.919 341 G HN 0.703 nan 8.290 nan 0.000 0.577 342 Q N -0.830 119.004 119.800 0.057 0.000 2.135 342 Q HA -0.091 4.229 4.340 -0.033 0.000 0.204 342 Q C 2.001 177.914 176.000 -0.145 0.000 0.981 342 Q CA 2.659 58.420 55.803 -0.071 0.000 0.856 342 Q CB -0.256 28.387 28.738 -0.159 0.000 0.902 342 Q HN 0.740 nan 8.270 nan 0.000 0.425 343 H N -1.179 117.957 119.070 0.111 0.000 2.519 343 H HA 0.074 4.612 4.556 -0.030 0.000 0.289 343 H C -0.547 174.848 175.328 0.110 0.000 1.040 343 H CA -0.399 55.708 56.048 0.098 0.000 1.165 343 H CB -0.358 29.441 29.762 0.062 0.000 1.462 343 H HN 0.203 nan 8.280 nan 0.000 0.555 344 F N 2.151 122.154 119.950 0.089 0.000 2.623 344 F HA -0.096 4.411 4.527 -0.033 0.000 0.386 344 F C 0.895 176.738 175.800 0.071 0.000 1.068 344 F CA -0.403 57.640 58.000 0.071 0.000 1.265 344 F CB 0.352 39.373 39.000 0.034 0.000 1.026 344 F HN 0.148 nan 8.300 nan 0.000 0.568 345 C N 10.436 129.361 119.300 -0.624 0.000 2.419 345 C HA 0.054 4.494 4.460 -0.033 0.000 0.398 345 C C -0.703 174.173 174.990 -0.190 0.000 1.498 345 C CA -1.001 57.806 59.018 -0.352 0.000 1.494 345 C CB -0.418 27.119 27.740 -0.338 0.000 2.485 345 C HN 0.783 nan 8.230 nan 0.000 0.608 346 P HA 0.116 nan 4.420 nan 0.000 0.236 346 P C 0.946 178.289 177.300 0.072 0.000 1.177 346 P CA 1.274 64.439 63.100 0.109 0.000 0.773 346 P CB 0.038 31.876 31.700 0.230 0.000 0.878 347 G N 0.481 109.276 108.800 -0.010 0.000 3.434 347 G HA2 0.033 3.973 3.960 -0.033 0.000 0.258 347 G HA3 0.033 3.973 3.960 -0.033 0.000 0.258 347 G C 1.391 176.192 174.900 -0.165 0.000 1.128 347 G CA 0.437 45.532 45.100 -0.008 0.000 0.792 347 G HN 0.325 nan 8.290 nan 0.000 0.539 348 S N 0.978 116.433 115.700 -0.410 0.000 2.359 348 S HA -0.097 4.353 4.470 -0.033 0.000 0.224 348 S C 2.585 176.884 174.600 -0.501 0.000 1.035 348 S CA 1.512 59.101 58.200 -1.018 0.000 1.018 348 S CB -0.448 62.000 63.200 -1.253 0.000 0.876 348 S HN 0.479 nan 8.310 nan 0.000 0.448 349 A N 1.567 124.264 122.820 -0.204 0.000 1.898 349 A HA 0.122 4.422 4.320 -0.033 0.000 0.216 349 A C 2.257 179.840 177.584 -0.001 0.000 1.181 349 A CA 1.494 53.494 52.037 -0.061 0.000 0.620 349 A CB -0.861 18.131 19.000 -0.013 0.000 0.819 349 A HN 0.518 nan 8.150 nan 0.000 0.442 350 L N 0.037 121.260 121.223 -0.001 0.000 2.056 350 L HA 0.005 4.325 4.340 -0.033 0.000 0.207 350 L C 2.411 179.347 176.870 0.110 0.000 1.078 350 L CA 2.153 57.020 54.840 0.045 0.000 0.749 350 L CB -0.956 41.115 42.059 0.020 0.000 0.901 350 L HN 0.308 nan 8.230 nan 0.000 0.433 351 G N -0.969 107.895 108.800 0.107 0.000 2.418 351 G HA2 -0.246 3.694 3.960 -0.033 0.000 0.217 351 G HA3 -0.246 3.694 3.960 -0.033 0.000 0.217 351 G C 1.752 176.841 174.900 0.315 0.000 1.158 351 G CA 0.702 45.942 45.100 0.235 0.000 0.771 351 G HN 0.351 nan 8.290 nan 0.000 0.545 352 R N -0.384 120.271 120.500 0.258 0.000 2.083 352 R HA -0.052 4.268 4.340 -0.033 0.000 0.237 352 R C 2.707 179.140 176.300 0.221 0.000 1.137 352 R CA 1.424 57.682 56.100 0.264 0.000 0.951 352 R CB -0.240 30.180 30.300 0.201 0.000 0.851 352 R HN 0.151 nan 8.270 nan 0.000 0.434 353 R N 0.032 120.635 120.500 0.171 0.000 2.092 353 R HA -0.122 4.198 4.340 -0.033 0.000 0.231 353 R C 2.312 178.707 176.300 0.158 0.000 1.119 353 R CA 1.516 57.700 56.100 0.140 0.000 0.970 353 R CB -0.683 29.680 30.300 0.105 0.000 0.864 353 R HN 0.399 nan 8.270 nan 0.000 0.440 354 H N -0.408 118.725 119.070 0.105 0.000 2.319 354 H HA -0.098 4.438 4.556 -0.033 0.000 0.299 354 H C 1.428 176.815 175.328 0.100 0.000 1.092 354 H CA 1.991 58.092 56.048 0.089 0.000 1.302 354 H CB 0.052 29.878 29.762 0.106 0.000 1.373 354 H HN 0.276 nan 8.280 nan 0.000 0.497 355 A N 0.814 123.769 122.820 0.224 0.000 1.897 355 A HA -0.140 4.160 4.320 -0.033 0.000 0.215 355 A C 2.497 180.135 177.584 0.090 0.000 1.181 355 A CA 1.285 53.426 52.037 0.172 0.000 0.620 355 A CB -0.485 18.798 19.000 0.471 0.000 0.821 355 A HN 0.567 nan 8.150 nan 0.000 0.443 356 Q N -0.422 119.451 119.800 0.123 0.000 2.050 356 Q HA -0.102 4.218 4.340 -0.033 0.000 0.202 356 Q C 1.993 178.019 176.000 0.043 0.000 0.980 356 Q CA 1.702 57.558 55.803 0.088 0.000 0.840 356 Q CB -0.302 28.494 28.738 0.097 0.000 0.898 356 Q HN 0.726 nan 8.270 nan 0.000 0.424 357 I N 0.062 120.642 120.570 0.018 0.000 2.353 357 I HA -0.156 3.994 4.170 -0.033 0.000 0.248 357 I C 2.306 178.413 176.117 -0.016 0.000 1.119 357 I CA 0.930 62.228 61.300 -0.003 0.000 1.417 357 I CB -0.568 37.427 38.000 -0.008 0.000 1.078 357 I HN 0.291 nan 8.210 nan 0.000 0.421 358 G N 1.381 110.129 108.800 -0.087 0.000 2.446 358 G HA2 -0.227 3.713 3.960 -0.033 0.000 0.217 358 G HA3 -0.227 3.713 3.960 -0.033 0.000 0.217 358 G C 1.689 176.672 174.900 0.138 0.000 1.168 358 G CA 0.777 45.866 45.100 -0.017 0.000 0.771 358 G HN 0.304 nan 8.290 nan 0.000 0.551 359 I N 0.271 120.878 120.570 0.062 0.000 2.252 359 I HA -0.107 4.043 4.170 -0.033 0.000 0.245 359 I C 2.653 178.794 176.117 0.040 0.000 1.102 359 I CA 1.319 62.652 61.300 0.055 0.000 1.385 359 I CB -0.217 37.807 38.000 0.041 0.000 1.064 359 I HN 0.290 nan 8.210 nan 0.000 0.414 360 E N 1.244 121.465 120.200 0.036 0.000 2.058 360 E HA -0.284 4.046 4.350 -0.033 0.000 0.194 360 E C 2.261 178.870 176.600 0.015 0.000 0.997 360 E CA 1.572 57.987 56.400 0.024 0.000 0.801 360 E CB -0.043 29.668 29.700 0.019 0.000 0.746 360 E HN 0.499 nan 8.360 nan 0.000 0.450 361 A N 1.040 123.872 122.820 0.020 0.000 1.898 361 A HA -0.136 4.164 4.320 -0.033 0.000 0.216 361 A C 2.192 179.736 177.584 -0.066 0.000 1.181 361 A CA 1.138 53.173 52.037 -0.004 0.000 0.620 361 A CB -0.658 18.362 19.000 0.034 0.000 0.819 361 A HN 0.408 nan 8.150 nan 0.000 0.442 362 L N -0.381 120.793 121.223 -0.082 0.000 2.046 362 L HA -0.119 4.201 4.340 -0.033 0.000 0.208 362 L C 2.318 179.105 176.870 -0.138 0.000 1.077 362 L CA 1.379 56.084 54.840 -0.225 0.000 0.747 362 L CB -0.204 41.697 42.059 -0.264 0.000 0.896 362 L HN 0.412 nan 8.230 nan 0.000 0.432 363 L N -0.387 120.815 121.223 -0.035 0.000 2.141 363 L HA -0.215 4.105 4.340 -0.033 0.000 0.209 363 L C 2.591 179.542 176.870 0.134 0.000 1.094 363 L CA 1.327 56.197 54.840 0.049 0.000 0.763 363 L CB -0.555 41.576 42.059 0.122 0.000 0.908 363 L HN 0.296 nan 8.230 nan 0.000 0.437 364 K N 0.253 120.695 120.400 0.071 0.000 2.057 364 K HA -0.136 4.164 4.320 -0.033 0.000 0.206 364 K C 2.144 178.746 176.600 0.004 0.000 1.050 364 K CA 1.048 57.377 56.287 0.069 0.000 0.935 364 K CB 0.223 32.729 32.500 0.010 0.000 0.715 364 K HN 0.066 nan 8.250 nan 0.000 0.439 365 K N -0.306 120.042 120.400 -0.087 0.000 2.186 365 K HA 0.061 4.361 4.320 -0.033 0.000 0.202 365 K C 0.686 177.158 176.600 -0.213 0.000 1.052 365 K CA 0.796 56.988 56.287 -0.159 0.000 0.965 365 K CB 0.390 32.746 32.500 -0.241 0.000 0.746 365 K HN 0.249 nan 8.250 nan 0.000 0.457 366 M N 1.562 121.030 119.600 -0.220 0.000 2.952 366 M HA 0.144 4.604 4.480 -0.033 0.000 0.259 366 M C -2.046 174.182 176.300 -0.119 0.000 1.306 366 M CA -1.268 53.902 55.300 -0.217 0.000 0.626 366 M CB 1.676 34.056 32.600 -0.367 0.000 1.423 366 M HN -0.214 nan 8.290 nan 0.000 0.459 367 P HA -0.068 nan 4.420 nan 0.000 0.222 367 P C 1.173 178.366 177.300 -0.177 0.000 1.147 367 P CA 1.252 64.180 63.100 -0.287 0.000 0.790 367 P CB 0.115 31.491 31.700 -0.541 0.000 0.780 368 G N 0.141 108.908 108.800 -0.055 0.000 3.314 368 G HA2 0.080 4.020 3.960 -0.033 0.000 0.238 368 G HA3 0.080 4.020 3.960 -0.033 0.000 0.238 368 G C 0.254 175.187 174.900 0.055 0.000 1.184 368 G CA -0.183 44.917 45.100 0.000 0.000 0.806 368 G HN 0.247 nan 8.290 nan 0.000 0.536 369 V N 0.714 120.660 119.914 0.053 0.000 2.720 369 V HA 0.291 4.391 4.120 -0.033 0.000 0.307 369 V C -0.504 175.620 176.094 0.050 0.000 1.071 369 V CA 0.458 62.809 62.300 0.084 0.000 1.199 369 V CB 1.316 33.144 31.823 0.008 0.000 0.900 369 V HN 0.328 nan 8.190 nan 0.000 0.494 370 D N 3.767 124.205 120.400 0.064 0.000 2.609 370 D HA 0.347 4.967 4.640 -0.033 0.000 0.239 370 D C -0.739 175.582 176.300 0.034 0.000 1.229 370 D CA -0.598 53.422 54.000 0.033 0.000 0.808 370 D CB 1.496 42.305 40.800 0.014 0.000 1.448 370 D HN 0.540 nan 8.370 nan 0.000 0.433 371 L N 1.209 122.446 121.223 0.023 0.000 2.485 371 L HA 0.331 4.651 4.340 -0.033 0.000 0.275 371 L C 1.306 178.177 176.870 0.003 0.000 1.207 371 L CA 0.088 54.938 54.840 0.017 0.000 0.855 371 L CB 0.802 42.872 42.059 0.019 0.000 1.114 371 L HN 0.629 nan 8.230 nan 0.000 0.485 372 A N 3.569 126.387 122.820 -0.004 0.000 2.308 372 A HA 0.358 4.658 4.320 -0.033 0.000 0.217 372 A C 0.180 177.750 177.584 -0.024 0.000 1.216 372 A CA 0.201 52.223 52.037 -0.025 0.000 0.864 372 A CB 0.067 19.046 19.000 -0.035 0.000 0.902 372 A HN 0.488 nan 8.150 nan 0.000 0.499 373 V N -4.384 115.522 119.914 -0.013 0.000 3.007 373 V HA 0.666 4.766 4.120 -0.033 0.000 0.311 373 V C -3.363 172.732 176.094 0.002 0.000 1.120 373 V CA -2.834 59.460 62.300 -0.011 0.000 0.980 373 V CB 1.332 33.146 31.823 -0.015 0.000 1.033 373 V HN 0.017 nan 8.190 nan 0.000 0.429 374 P HA 0.253 nan 4.420 nan 0.000 0.266 374 P C 0.943 178.263 177.300 0.034 0.000 1.195 374 P CA 0.149 63.261 63.100 0.019 0.000 0.768 374 P CB 0.622 32.332 31.700 0.018 0.000 0.838 375 I N 1.810 122.411 120.570 0.051 0.000 2.335 375 I HA -0.278 3.872 4.170 -0.033 0.000 0.251 375 I C 1.024 177.213 176.117 0.120 0.000 1.129 375 I CA 1.723 63.074 61.300 0.086 0.000 1.402 375 I CB 0.003 38.063 38.000 0.100 0.000 1.069 375 I HN 0.262 nan 8.210 nan 0.000 0.424 376 D N 0.473 120.931 120.400 0.097 0.000 2.309 376 D HA -0.162 4.458 4.640 -0.033 0.000 0.212 376 D C 1.944 178.305 176.300 0.101 0.000 0.968 376 D CA 0.713 54.781 54.000 0.113 0.000 0.882 376 D CB -0.117 40.728 40.800 0.075 0.000 0.918 376 D HN 0.423 nan 8.370 nan 0.000 0.503 377 Q N -0.135 119.700 119.800 0.058 0.000 2.472 377 Q HA 0.082 4.402 4.340 -0.033 0.000 0.208 377 Q C 0.639 176.630 176.000 -0.015 0.000 0.958 377 Q CA 0.038 55.855 55.803 0.023 0.000 0.932 377 Q CB 0.187 28.928 28.738 0.004 0.000 1.007 377 Q HN 0.386 nan 8.270 nan 0.000 0.508 378 L N 0.863 122.071 121.223 -0.025 0.000 2.456 378 L HA 0.063 4.383 4.340 -0.033 0.000 0.272 378 L C 0.110 176.821 176.870 -0.265 0.000 1.189 378 L CA -0.238 54.478 54.840 -0.207 0.000 0.846 378 L CB 0.466 42.326 42.059 -0.331 0.000 1.111 378 L HN -0.217 nan 8.230 nan 0.000 0.475 379 V N 2.179 121.880 119.914 -0.355 0.000 2.333 379 V HA 0.173 4.273 4.120 -0.033 0.000 0.274 379 V C -0.547 175.346 176.094 -0.334 0.000 1.028 379 V CA -0.477 61.694 62.300 -0.215 0.000 0.851 379 V CB 0.723 32.469 31.823 -0.129 0.000 1.000 379 V HN 0.546 nan 8.190 nan 0.000 0.456 380 W N 4.473 125.770 121.300 -0.006 0.000 2.335 380 W HA 0.502 5.141 4.660 -0.034 0.000 0.306 380 W C 0.822 177.332 176.519 -0.015 0.000 1.216 380 W CA -0.510 56.832 57.345 -0.004 0.000 1.237 380 W CB 0.543 30.009 29.460 0.011 0.000 1.243 380 W HN 0.431 nan 8.180 nan 0.000 0.493 381 R N 2.523 123.104 120.500 0.136 0.000 2.522 381 R HA 0.121 4.440 4.340 -0.033 0.000 0.284 381 R C 0.400 176.778 176.300 0.130 0.000 1.032 381 R CA 0.348 56.470 56.100 0.035 0.000 1.049 381 R CB 0.399 30.616 30.300 -0.139 0.000 0.956 381 R HN 0.559 nan 8.270 nan 0.000 0.422 382 T N 1.469 116.081 114.554 0.097 0.000 2.944 382 T HA 0.339 4.669 4.350 -0.033 0.000 0.284 382 T C -0.062 174.724 174.700 0.143 0.000 1.010 382 T CA -0.989 61.183 62.100 0.119 0.000 1.025 382 T CB 1.189 70.109 68.868 0.086 0.000 1.079 382 T HN 0.779 nan 8.240 nan 0.000 0.516 383 R N -0.393 120.185 120.500 0.130 0.000 3.322 383 R HA -0.160 4.160 4.340 -0.033 0.000 0.253 383 R C -1.107 175.320 176.300 0.211 0.000 0.987 383 R CA 0.229 56.402 56.100 0.122 0.000 0.666 383 R CB -2.072 28.278 30.300 0.083 0.000 1.072 383 R HN 0.599 nan 8.270 nan 0.000 0.447 384 F N -0.709 119.251 119.950 0.018 0.000 2.603 384 F HA 0.221 4.729 4.527 -0.033 0.000 0.317 384 F C 1.260 177.066 175.800 0.010 0.000 1.066 384 F CA -1.034 56.980 58.000 0.023 0.000 0.941 384 F CB 1.604 40.623 39.000 0.033 0.000 1.291 384 F HN -0.111 nan 8.300 nan 0.000 0.472 385 Q N 1.504 120.984 119.800 -0.533 0.000 2.472 385 Q HA 0.117 4.437 4.340 -0.033 0.000 0.208 385 Q C -0.123 175.687 176.000 -0.316 0.000 0.958 385 Q CA 0.621 56.215 55.803 -0.349 0.000 0.932 385 Q CB 0.308 28.857 28.738 -0.314 0.000 1.007 385 Q HN 0.207 nan 8.270 nan 0.000 0.508 386 R N 0.226 120.629 120.500 -0.161 0.000 2.854 386 R HA 0.453 4.773 4.340 -0.033 0.000 0.271 386 R C -0.634 175.824 176.300 0.264 0.000 0.996 386 R CA -0.671 55.441 56.100 0.020 0.000 0.961 386 R CB 1.232 31.559 30.300 0.045 0.000 1.182 386 R HN 0.015 nan 8.270 nan 0.000 0.479 387 R N 2.093 122.718 120.500 0.207 0.000 2.229 387 R HA 0.571 4.891 4.340 -0.033 0.000 0.328 387 R C 0.031 176.580 176.300 0.415 0.000 1.009 387 R CA -0.339 55.942 56.100 0.302 0.000 0.864 387 R CB 0.664 31.069 30.300 0.174 0.000 1.085 387 R HN 0.574 nan 8.270 nan 0.000 0.453 388 I N -0.410 120.423 120.570 0.438 0.000 2.841 388 I HA 0.529 4.679 4.170 -0.033 0.000 0.298 388 I C -2.816 173.216 176.117 -0.142 0.000 1.304 388 I CA -3.009 58.419 61.300 0.214 0.000 1.019 388 I CB 2.860 40.901 38.000 0.069 0.000 1.282 388 I HN 0.356 nan 8.210 nan 0.000 0.432 389 P HA 0.209 nan 4.420 nan 0.000 0.279 389 P C -0.149 176.917 177.300 -0.389 0.000 1.239 389 P CA 0.006 62.595 63.100 -0.851 0.000 0.789 389 P CB 1.475 32.618 31.700 -0.929 0.000 0.933 390 E N 2.156 122.164 120.200 -0.321 0.000 2.110 390 E HA -0.097 4.233 4.350 -0.033 0.000 0.193 390 E C 0.475 176.986 176.600 -0.148 0.000 0.988 390 E CA 1.322 57.607 56.400 -0.192 0.000 0.804 390 E CB 0.160 29.769 29.700 -0.152 0.000 0.745 390 E HN 0.530 nan 8.360 nan 0.000 0.458 391 R N -0.268 120.130 120.500 -0.170 0.000 2.744 391 R HA 0.414 4.734 4.340 -0.033 0.000 0.279 391 R C -1.045 175.171 176.300 -0.140 0.000 0.977 391 R CA -0.772 55.258 56.100 -0.117 0.000 0.906 391 R CB 1.655 31.904 30.300 -0.084 0.000 1.197 391 R HN -0.110 nan 8.270 nan 0.000 0.463 392 L N 3.547 124.719 121.223 -0.086 0.000 2.445 392 L HA 0.476 4.796 4.340 -0.033 0.000 0.252 392 L C -2.664 174.191 176.870 -0.025 0.000 1.105 392 L CA -2.290 52.506 54.840 -0.073 0.000 0.943 392 L CB 1.129 43.156 42.059 -0.054 0.000 1.277 392 L HN 0.395 nan 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