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 3fz7_1_A DATA FIRST_RESID 13 DATA SEQUENCE LLDSRFGAKS ISTIAESKRF PLHEMRDDVA FQIINDELYL DGNARQNLAT DATA SEQUENCE FCQTWDDENV HKLMDLSINK NWIDKEEYPQ SAAIDLRCVN MVADLWHAPA DATA SEQUENCE PKNGQAVGTN TIGSSEACML GGMAMKWRWR KRMEAAGKPT DKPNLVCGPV DATA SEQUENCE QICWHKFARY WDVELREIPM RPGQLFMDPK RMIEACDENT IGVVPTFGVT DATA SEQUENCE YTGNYEFPQP LHDALDKFQA DTGIDIDMHI DAASGGFLAP FVAPDIVWDF DATA SEQUENCE RLPRVKSISA SGHKFGLAPL GCGWVIWRDE EALPQELVFN VDYLGGQIGT DATA SEQUENCE FAINFSRPAG QVIAQYYEFL RLGREGYTKV QNASYQVAAY LADEIAKLGP DATA SEQUENCE YEFICTGRPD EGIPAVCFKL KDGEDPGYTL YDLSERLRLR GWQVPAFTLG DATA SEQUENCE GEATDIVVMR IMCRRGFEMD FAELLLEDYK ASLKYLSDHP KLQGIAQQNS DATA SEQUENCE FKHT 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 13 L HA 0.000 nan 4.340 nan 0.000 0.249 13 L C 0.000 176.879 176.870 0.016 0.000 1.165 13 L CA 0.000 54.846 54.840 0.010 0.000 0.813 13 L CB 0.000 42.062 42.059 0.006 0.000 0.961 14 L N 0.599 121.829 121.223 0.012 0.000 2.319 14 L HA 0.509 4.836 4.340 -0.022 0.000 0.267 14 L C -1.038 175.843 176.870 0.018 0.000 1.011 14 L CA -0.583 54.269 54.840 0.019 0.000 0.818 14 L CB 1.626 43.691 42.059 0.010 0.000 1.316 14 L HN -0.015 nan 8.230 nan 0.000 0.432 15 D N -0.447 119.974 120.400 0.036 0.000 2.375 15 D HA 0.164 4.791 4.640 -0.022 0.000 0.247 15 D C 0.542 176.798 176.300 -0.073 0.000 1.061 15 D CA -0.171 53.832 54.000 0.005 0.000 0.834 15 D CB 2.176 43.050 40.800 0.125 0.000 1.247 15 D HN 0.569 nan 8.370 nan 0.000 0.489 16 S N 3.559 119.175 115.700 -0.140 0.000 2.489 16 S HA -0.029 4.428 4.470 -0.022 0.000 0.228 16 S C 1.556 176.021 174.600 -0.225 0.000 0.995 16 S CA 0.312 58.426 58.200 -0.143 0.000 0.934 16 S CB 0.176 63.306 63.200 -0.117 0.000 0.771 16 S HN 0.464 nan 8.310 nan 0.000 0.522 17 R N -0.046 120.192 120.500 -0.437 0.000 2.062 17 R HA 0.160 4.487 4.340 -0.022 0.000 0.229 17 R C 1.191 177.178 176.300 -0.523 0.000 1.128 17 R CA 1.585 57.291 56.100 -0.658 0.000 0.960 17 R CB -0.326 29.231 30.300 -1.239 0.000 0.855 17 R HN 0.512 nan 8.270 nan 0.000 0.432 18 F N -0.435 119.507 119.950 -0.013 0.000 2.749 18 F HA 0.342 4.854 4.527 -0.025 0.000 0.300 18 F C 1.240 177.036 175.800 -0.007 0.000 1.103 18 F CA -0.047 57.949 58.000 -0.007 0.000 1.342 18 F CB -0.230 38.767 39.000 -0.004 0.000 1.098 18 F HN 0.103 nan 8.300 nan 0.000 0.586 19 G N 1.328 110.174 108.800 0.077 0.000 2.386 19 G HA2 0.069 4.016 3.960 -0.022 0.000 0.295 19 G HA3 0.069 4.016 3.960 -0.022 0.000 0.295 19 G C 0.020 174.966 174.900 0.077 0.000 0.979 19 G CA 0.305 45.435 45.100 0.050 0.000 1.193 19 G HN 0.838 nan 8.290 nan 0.000 0.508 20 A N -0.225 122.655 122.820 0.100 0.000 2.586 20 A HA 0.806 5.113 4.320 -0.022 0.000 0.290 20 A C 0.200 177.831 177.584 0.079 0.000 1.086 20 A CA 0.030 52.118 52.037 0.086 0.000 0.665 20 A CB 0.743 19.803 19.000 0.101 0.000 1.279 20 A HN 0.897 nan 8.150 nan 0.000 0.423 21 K N 0.634 121.063 120.400 0.049 0.000 2.569 21 K HA 0.109 4.416 4.320 -0.022 0.000 0.280 21 K C 0.338 176.975 176.600 0.062 0.000 0.984 21 K CA 0.877 57.188 56.287 0.040 0.000 1.064 21 K CB 0.199 32.711 32.500 0.019 0.000 0.866 21 K HN 0.793 nan 8.250 nan 0.000 0.492 22 S N 4.335 120.069 115.700 0.056 0.000 2.513 22 S HA 0.313 4.770 4.470 -0.022 0.000 0.276 22 S C -0.228 174.406 174.600 0.055 0.000 1.254 22 S CA -0.815 57.428 58.200 0.072 0.000 1.053 22 S CB 0.278 63.506 63.200 0.048 0.000 0.958 22 S HN 0.461 nan 8.310 nan 0.000 0.491 23 I N 4.303 124.914 120.570 0.069 0.000 2.328 23 I HA 0.265 4.422 4.170 -0.022 0.000 0.287 23 I C 0.388 176.530 176.117 0.042 0.000 1.012 23 I CA -0.149 61.175 61.300 0.041 0.000 1.195 23 I CB 1.668 39.678 38.000 0.018 0.000 1.350 23 I HN 0.562 nan 8.210 nan 0.000 0.464 24 S N 3.093 118.807 115.700 0.024 0.000 2.537 24 S HA 0.228 4.685 4.470 -0.022 0.000 0.275 24 S C 1.284 175.884 174.600 0.000 0.000 1.272 24 S CA -0.280 57.928 58.200 0.013 0.000 1.050 24 S CB 0.826 64.030 63.200 0.007 0.000 0.961 24 S HN 0.779 nan 8.310 nan 0.000 0.496 25 T N 2.656 117.207 114.554 -0.006 0.000 3.054 25 T HA 0.175 4.512 4.350 -0.022 0.000 0.259 25 T C 1.649 176.334 174.700 -0.025 0.000 1.092 25 T CA 0.355 62.442 62.100 -0.021 0.000 1.121 25 T CB -0.266 68.588 68.868 -0.025 0.000 0.912 25 T HN 0.595 nan 8.240 nan 0.000 0.489 26 I N 1.475 122.035 120.570 -0.018 0.000 2.480 26 I HA 0.260 4.417 4.170 -0.022 0.000 0.251 26 I C 1.716 177.823 176.117 -0.016 0.000 1.124 26 I CA -0.007 61.282 61.300 -0.018 0.000 1.444 26 I CB -0.227 37.763 38.000 -0.016 0.000 1.098 26 I HN 0.269 nan 8.210 nan 0.000 0.428 27 A N 1.019 123.833 122.820 -0.011 0.000 2.440 27 A HA 0.152 4.458 4.320 -0.022 0.000 0.251 27 A C 0.534 178.111 177.584 -0.012 0.000 1.089 27 A CA -0.233 51.800 52.037 -0.008 0.000 0.779 27 A CB -0.182 18.817 19.000 -0.002 0.000 1.022 27 A HN 0.526 nan 8.150 nan 0.000 0.492 28 E N 1.345 121.538 120.200 -0.011 0.000 2.294 28 E HA -0.255 4.082 4.350 -0.022 0.000 0.228 28 E C 0.858 177.441 176.600 -0.028 0.000 1.253 28 E CA 0.750 57.140 56.400 -0.015 0.000 0.716 28 E CB -2.072 27.620 29.700 -0.013 0.000 1.184 28 E HN 0.922 nan 8.360 nan 0.000 0.374 29 S N -0.799 114.884 115.700 -0.029 0.000 2.603 29 S HA -0.040 4.417 4.470 -0.022 0.000 0.229 29 S C 1.225 175.806 174.600 -0.033 0.000 0.972 29 S CA 0.271 58.448 58.200 -0.039 0.000 0.935 29 S CB 0.253 63.433 63.200 -0.034 0.000 0.769 29 S HN 0.318 nan 8.310 nan 0.000 0.536 30 K N 0.434 120.821 120.400 -0.021 0.000 2.354 30 K HA 0.170 4.476 4.320 -0.022 0.000 0.194 30 K C 0.197 176.799 176.600 0.003 0.000 1.045 30 K CA 0.186 56.467 56.287 -0.009 0.000 1.026 30 K CB 0.395 32.892 32.500 -0.006 0.000 0.866 30 K HN 0.482 nan 8.250 nan 0.000 0.530 31 R N -0.606 119.895 120.500 0.002 0.000 2.919 31 R HA 0.328 4.655 4.340 -0.022 0.000 0.260 31 R C -0.635 175.688 176.300 0.038 0.000 1.067 31 R CA -0.824 55.298 56.100 0.036 0.000 1.003 31 R CB -0.124 30.201 30.300 0.041 0.000 1.192 31 R HN -0.229 nan 8.270 nan 0.000 0.488 32 F N 2.154 122.086 119.950 -0.031 0.000 2.578 32 F HA 0.261 4.774 4.527 -0.022 0.000 0.376 32 F C -1.665 174.107 175.800 -0.047 0.000 1.085 32 F CA -1.331 56.649 58.000 -0.033 0.000 1.260 32 F CB 0.346 39.327 39.000 -0.032 0.000 1.095 32 F HN 0.439 nan 8.300 nan 0.000 0.573 33 P HA 0.056 nan 4.420 nan 0.000 0.269 33 P C 0.638 177.952 177.300 0.024 0.000 1.209 33 P CA -0.035 63.012 63.100 -0.088 0.000 0.776 33 P CB 0.706 32.308 31.700 -0.163 0.000 0.876 34 L N 0.641 121.795 121.223 -0.115 0.000 2.202 34 L HA 0.029 4.356 4.340 -0.022 0.000 0.205 34 L C 0.918 177.615 176.870 -0.288 0.000 1.083 34 L CA 0.981 55.656 54.840 -0.275 0.000 0.790 34 L CB -0.323 41.362 42.059 -0.624 0.000 0.942 34 L HN 0.482 nan 8.230 nan 0.000 0.452 35 H N -0.325 118.768 119.070 0.039 0.000 2.710 35 H HA 0.366 4.909 4.556 -0.023 0.000 0.361 35 H C -0.573 174.765 175.328 0.016 0.000 1.175 35 H CA -0.821 55.242 56.048 0.025 0.000 1.206 35 H CB 1.096 30.863 29.762 0.009 0.000 1.750 35 H HN 0.002 nan 8.280 nan 0.000 0.553 36 E N 0.850 121.147 120.200 0.162 0.000 2.392 36 E HA 0.237 4.574 4.350 -0.022 0.000 0.256 36 E C -0.052 176.579 176.600 0.052 0.000 1.145 36 E CA -0.088 56.360 56.400 0.079 0.000 0.929 36 E CB 1.182 30.915 29.700 0.054 0.000 0.998 36 E HN 0.301 nan 8.360 nan 0.000 0.442 37 M N 0.909 120.516 119.600 0.012 0.000 2.531 37 M HA 0.350 4.817 4.480 -0.022 0.000 0.286 37 M C -1.241 175.036 176.300 -0.038 0.000 1.232 37 M CA -0.659 54.627 55.300 -0.023 0.000 0.877 37 M CB 1.819 34.398 32.600 -0.034 0.000 1.726 37 M HN 0.363 nan 8.290 nan 0.000 0.463 38 R N 2.137 122.597 120.500 -0.067 0.000 2.538 38 R HA -0.013 4.314 4.340 -0.022 0.000 0.282 38 R C 0.224 176.493 176.300 -0.052 0.000 1.009 38 R CA -0.148 55.914 56.100 -0.063 0.000 1.063 38 R CB 0.208 30.457 30.300 -0.085 0.000 0.945 38 R HN 0.615 nan 8.270 nan 0.000 0.414 39 D N 2.072 122.458 120.400 -0.023 0.000 2.116 39 D HA -0.179 4.448 4.640 -0.022 0.000 0.193 39 D C 0.892 177.211 176.300 0.032 0.000 0.998 39 D CA 1.573 55.574 54.000 0.002 0.000 0.836 39 D CB 0.045 40.843 40.800 -0.002 0.000 0.951 39 D HN 0.516 nan 8.370 nan 0.000 0.449 40 D N -0.375 120.035 120.400 0.016 0.000 2.269 40 D HA -0.056 4.571 4.640 -0.022 0.000 0.208 40 D C 2.192 178.522 176.300 0.050 0.000 0.963 40 D CA 0.134 54.179 54.000 0.075 0.000 0.864 40 D CB 0.059 40.882 40.800 0.038 0.000 0.936 40 D HN 0.089 nan 8.370 nan 0.000 0.505 41 V N 1.137 120.981 119.914 -0.117 0.000 2.358 41 V HA -0.170 3.937 4.120 -0.022 0.000 0.246 41 V C 2.503 178.491 176.094 -0.176 0.000 1.047 41 V CA 1.647 63.738 62.300 -0.349 0.000 1.035 41 V CB -0.692 30.802 31.823 -0.548 0.000 0.658 41 V HN 0.171 nan 8.190 nan 0.000 0.452 42 A N -0.346 122.435 122.820 -0.065 0.000 1.930 42 A HA -0.200 4.106 4.320 -0.022 0.000 0.217 42 A C 2.092 179.695 177.584 0.032 0.000 1.175 42 A CA 1.835 53.860 52.037 -0.020 0.000 0.627 42 A CB -0.632 18.367 19.000 -0.002 0.000 0.815 42 A HN 0.538 nan 8.150 nan 0.000 0.443 43 F N 0.705 120.639 119.950 -0.027 0.000 2.084 43 F HA -0.171 4.349 4.527 -0.011 0.000 0.296 43 F C 2.404 178.231 175.800 0.045 0.000 1.111 43 F CA 2.221 60.223 58.000 0.004 0.000 1.224 43 F CB -0.534 38.468 39.000 0.003 0.000 0.991 43 F HN 0.288 nan 8.300 nan 0.000 0.471 44 Q N 0.398 120.172 119.800 -0.043 0.000 2.124 44 Q HA -0.167 4.159 4.340 -0.022 0.000 0.202 44 Q C 2.380 178.370 176.000 -0.016 0.000 0.977 44 Q CA 2.015 57.791 55.803 -0.046 0.000 0.850 44 Q CB -0.246 28.673 28.738 0.301 0.000 0.901 44 Q HN 0.530 nan 8.270 nan 0.000 0.429 45 I N 0.357 120.960 120.570 0.055 0.000 2.127 45 I HA -0.325 3.831 4.170 -0.022 0.000 0.241 45 I C 2.127 178.216 176.117 -0.047 0.000 1.075 45 I CA 1.353 62.687 61.300 0.056 0.000 1.334 45 I CB -0.257 37.770 38.000 0.045 0.000 1.040 45 I HN 0.211 nan 8.210 nan 0.000 0.405 46 I N 0.620 121.123 120.570 -0.112 0.000 2.179 46 I HA -0.310 3.846 4.170 -0.022 0.000 0.242 46 I C 2.344 178.354 176.117 -0.178 0.000 1.088 46 I CA 1.539 62.762 61.300 -0.127 0.000 1.357 46 I CB -0.563 37.369 38.000 -0.113 0.000 1.051 46 I HN 0.302 nan 8.210 nan 0.000 0.409 47 N N 1.174 119.654 118.700 -0.367 0.000 2.061 47 N HA -0.250 4.476 4.740 -0.022 0.000 0.193 47 N C 1.504 176.995 175.510 -0.032 0.000 1.030 47 N CA 1.979 54.827 53.050 -0.337 0.000 0.856 47 N CB -0.160 37.950 38.487 -0.627 0.000 1.023 47 N HN 0.209 nan 8.380 nan 0.000 0.424 48 D N -0.010 120.382 120.400 -0.013 0.000 2.117 48 D HA -0.173 4.454 4.640 -0.022 0.000 0.197 48 D C 1.733 178.086 176.300 0.087 0.000 0.987 48 D CA 1.254 55.289 54.000 0.058 0.000 0.829 48 D CB -0.396 40.373 40.800 -0.050 0.000 0.961 48 D HN 0.742 nan 8.370 nan 0.000 0.460 49 E N 0.685 120.896 120.200 0.020 0.000 2.208 49 E HA -0.086 4.251 4.350 -0.022 0.000 0.193 49 E C 2.195 178.813 176.600 0.030 0.000 0.988 49 E CA 0.343 56.752 56.400 0.015 0.000 0.828 49 E CB -0.504 29.188 29.700 -0.013 0.000 0.763 49 E HN 0.257 nan 8.360 nan 0.000 0.478 50 L N 0.162 121.393 121.223 0.015 0.000 2.265 50 L HA -0.152 4.175 4.340 -0.022 0.000 0.215 50 L C 1.951 178.806 176.870 -0.024 0.000 1.117 50 L CA 0.952 55.775 54.840 -0.029 0.000 0.782 50 L CB -0.525 41.482 42.059 -0.087 0.000 0.914 50 L HN 0.123 nan 8.230 nan 0.000 0.441 51 Y N -0.496 119.762 120.300 -0.070 0.000 2.315 51 Y HA -0.221 4.315 4.550 -0.024 0.000 0.288 51 Y C 2.072 177.938 175.900 -0.057 0.000 1.154 51 Y CA 0.880 58.943 58.100 -0.061 0.000 1.229 51 Y CB -0.166 38.258 38.460 -0.060 0.000 0.980 51 Y HN 0.091 nan 8.280 nan 0.000 0.540 52 L N -0.221 121.060 121.223 0.097 0.000 2.622 52 L HA -0.061 4.266 4.340 -0.022 0.000 0.233 52 L C 0.197 177.062 176.870 -0.008 0.000 1.156 52 L CA 0.747 55.606 54.840 0.031 0.000 0.866 52 L CB -0.756 41.309 42.059 0.011 0.000 0.980 52 L HN -0.006 nan 8.230 nan 0.000 0.448 53 D N -0.436 119.948 120.400 -0.027 0.000 2.304 53 D HA 0.311 4.938 4.640 -0.022 0.000 0.247 53 D C 0.673 176.940 176.300 -0.054 0.000 1.089 53 D CA 0.170 54.139 54.000 -0.050 0.000 0.910 53 D CB 1.199 41.958 40.800 -0.069 0.000 1.199 53 D HN 0.113 nan 8.370 nan 0.000 0.426 54 G N 0.542 109.308 108.800 -0.056 0.000 2.699 54 G HA2 0.039 3.986 3.960 -0.022 0.000 0.246 54 G HA3 0.039 3.986 3.960 -0.022 0.000 0.246 54 G C 0.795 175.652 174.900 -0.072 0.000 1.219 54 G CA -0.382 44.682 45.100 -0.060 0.000 0.866 54 G HN 0.579 nan 8.290 nan 0.000 0.572 55 N N -1.165 117.489 118.700 -0.076 0.000 2.230 55 N HA 0.294 5.021 4.740 -0.022 0.000 0.202 55 N C 1.363 176.832 175.510 -0.067 0.000 1.119 55 N CA 0.932 53.935 53.050 -0.077 0.000 0.851 55 N CB 0.535 38.973 38.487 -0.082 0.000 0.990 55 N HN 1.158 nan 8.380 nan 0.000 0.497 56 A N -0.223 122.558 122.820 -0.064 0.000 3.408 56 A HA -0.349 3.957 4.320 -0.022 0.000 0.269 56 A C 1.770 179.316 177.584 -0.063 0.000 1.124 56 A CA 1.574 53.578 52.037 -0.055 0.000 0.999 56 A CB -1.726 17.249 19.000 -0.042 0.000 1.067 56 A HN 0.331 nan 8.150 nan 0.000 0.815 57 R N -0.442 120.011 120.500 -0.079 0.000 2.096 57 R HA -0.094 4.233 4.340 -0.022 0.000 0.235 57 R C 1.668 177.906 176.300 -0.102 0.000 1.127 57 R CA 1.788 57.835 56.100 -0.088 0.000 0.968 57 R CB -0.399 29.839 30.300 -0.104 0.000 0.861 57 R HN 0.897 nan 8.270 nan 0.000 0.440 58 Q N 0.503 120.206 119.800 -0.161 0.000 2.246 58 Q HA 0.079 4.405 4.340 -0.022 0.000 0.202 58 Q C -0.066 175.945 176.000 0.019 0.000 0.883 58 Q CA -0.309 55.373 55.803 -0.202 0.000 0.952 58 Q CB 0.239 28.567 28.738 -0.682 0.000 1.078 58 Q HN 0.087 nan 8.270 nan 0.000 0.493 59 N N 1.358 120.041 118.700 -0.028 0.000 2.406 59 N HA 0.081 4.807 4.740 -0.022 0.000 0.251 59 N C -0.075 175.402 175.510 -0.055 0.000 1.069 59 N CA 0.103 53.149 53.050 -0.006 0.000 0.947 59 N CB 0.695 39.174 38.487 -0.014 0.000 1.111 59 N HN 0.244 nan 8.380 nan 0.000 0.497 60 L N 2.553 123.751 121.223 -0.041 0.000 2.741 60 L HA 0.256 4.583 4.340 -0.022 0.000 0.237 60 L C 1.613 178.407 176.870 -0.127 0.000 1.178 60 L CA -0.095 54.651 54.840 -0.156 0.000 0.973 60 L CB 0.115 42.053 42.059 -0.200 0.000 1.255 60 L HN 0.508 nan 8.230 nan 0.000 0.498 61 A N -0.974 121.806 122.820 -0.067 0.000 2.044 61 A HA 0.068 4.374 4.320 -0.022 0.000 0.213 61 A C 1.260 178.760 177.584 -0.140 0.000 1.169 61 A CA 0.545 52.546 52.037 -0.060 0.000 0.724 61 A CB 0.119 19.155 19.000 0.060 0.000 0.840 61 A HN 0.247 nan 8.150 nan 0.000 0.463 62 T N -1.977 112.524 114.554 -0.088 0.000 2.918 62 T HA 0.497 4.834 4.350 -0.022 0.000 0.283 62 T C 0.186 174.804 174.700 -0.136 0.000 1.001 62 T CA -0.419 61.679 62.100 -0.003 0.000 1.041 62 T CB 0.290 69.215 68.868 0.095 0.000 1.028 62 T HN 0.164 nan 8.240 nan 0.000 0.511 63 F N 0.543 120.473 119.950 -0.033 0.000 2.717 63 F HA 0.320 4.834 4.527 -0.023 0.000 0.295 63 F C 1.577 177.286 175.800 -0.153 0.000 1.117 63 F CA -0.766 57.180 58.000 -0.090 0.000 1.361 63 F CB -0.411 38.592 39.000 0.004 0.000 1.112 63 F HN 0.385 nan 8.300 nan 0.000 0.594 64 C N 2.428 121.807 119.300 0.133 0.000 2.644 64 C HA 0.187 4.634 4.460 -0.022 0.000 0.417 64 C C 0.788 175.770 174.990 -0.013 0.000 1.304 64 C CA -1.121 57.919 59.018 0.036 0.000 2.035 64 C CB -0.160 27.556 27.740 -0.040 0.000 2.673 64 C HN 0.236 nan 8.230 nan 0.000 0.602 65 Q N 1.686 121.484 119.800 -0.003 0.000 2.286 65 Q HA 0.110 4.437 4.340 -0.022 0.000 0.290 65 Q C 1.108 177.116 176.000 0.014 0.000 1.049 65 Q CA 0.834 56.643 55.803 0.011 0.000 0.923 65 Q CB 0.596 29.361 28.738 0.045 0.000 1.183 65 Q HN 1.001 nan 8.270 nan 0.000 0.383 66 T N -2.472 112.111 114.554 0.049 0.000 3.087 66 T HA 0.113 4.450 4.350 -0.022 0.000 0.283 66 T C 0.021 174.786 174.700 0.109 0.000 0.956 66 T CA -0.583 61.541 62.100 0.040 0.000 0.894 66 T CB 0.023 68.898 68.868 0.011 0.000 1.160 66 T HN 0.461 nan 8.240 nan 0.000 0.532 67 W N 2.461 123.739 121.300 -0.037 0.000 2.141 67 W HA 0.573 5.225 4.660 -0.014 0.000 0.354 67 W C -1.033 175.497 176.519 0.017 0.000 1.297 67 W CA -0.265 57.068 57.345 -0.020 0.000 1.380 67 W CB 0.700 30.149 29.460 -0.018 0.000 1.168 67 W HN -0.012 nan 8.180 nan 0.000 0.639 68 D N 2.452 122.314 120.400 -0.897 0.000 2.649 68 D HA 0.106 4.733 4.640 -0.022 0.000 0.249 68 D C -1.609 174.105 176.300 -0.976 0.000 1.112 68 D CA -0.321 53.321 54.000 -0.598 0.000 0.850 68 D CB 1.870 42.470 40.800 -0.334 0.000 1.399 68 D HN 0.212 nan 8.370 nan 0.000 0.503 69 D N 1.489 121.644 120.400 -0.409 0.000 2.629 69 D HA 0.057 4.684 4.640 -0.022 0.000 0.250 69 D C 0.649 176.913 176.300 -0.059 0.000 1.126 69 D CA -0.415 53.406 54.000 -0.299 0.000 0.852 69 D CB 2.059 42.857 40.800 -0.003 0.000 1.335 69 D HN 0.337 nan 8.370 nan 0.000 0.518 70 E N 2.604 122.739 120.200 -0.107 0.000 2.118 70 E HA -0.210 4.126 4.350 -0.022 0.000 0.195 70 E C 0.937 177.504 176.600 -0.055 0.000 0.992 70 E CA 1.009 57.359 56.400 -0.084 0.000 0.804 70 E CB 0.277 29.915 29.700 -0.102 0.000 0.741 70 E HN 0.396 nan 8.360 nan 0.000 0.458 71 N N 0.053 118.693 118.700 -0.100 0.000 2.166 71 N HA -0.138 4.589 4.740 -0.022 0.000 0.186 71 N C 1.839 177.124 175.510 -0.374 0.000 1.019 71 N CA 0.940 53.834 53.050 -0.261 0.000 0.856 71 N CB -0.264 37.991 38.487 -0.386 0.000 0.993 71 N HN 0.069 nan 8.380 nan 0.000 0.426 72 V N 1.490 121.237 119.914 -0.278 0.000 2.307 72 V HA -0.194 3.913 4.120 -0.022 0.000 0.245 72 V C 2.108 178.101 176.094 -0.170 0.000 1.045 72 V CA 1.359 63.522 62.300 -0.228 0.000 1.024 72 V CB -0.623 31.142 31.823 -0.097 0.000 0.651 72 V HN 0.414 nan 8.190 nan 0.000 0.449 73 H N 0.538 119.515 119.070 -0.155 0.000 2.353 73 H HA -0.181 4.363 4.556 -0.021 0.000 0.298 73 H C 2.384 177.643 175.328 -0.114 0.000 1.103 73 H CA 1.872 57.845 56.048 -0.124 0.000 1.293 73 H CB 0.070 29.758 29.762 -0.123 0.000 1.372 73 H HN 0.445 nan 8.280 nan 0.000 0.501 74 K N 0.339 120.734 120.400 -0.009 0.000 2.103 74 K HA -0.019 4.287 4.320 -0.022 0.000 0.204 74 K C 2.432 178.992 176.600 -0.066 0.000 1.052 74 K CA 0.439 56.702 56.287 -0.040 0.000 0.945 74 K CB 0.112 32.576 32.500 -0.060 0.000 0.722 74 K HN 0.166 nan 8.250 nan 0.000 0.443 75 L N 0.489 121.643 121.223 -0.114 0.000 2.056 75 L HA -0.138 4.189 4.340 -0.022 0.000 0.207 75 L C 2.507 179.331 176.870 -0.076 0.000 1.078 75 L CA 0.708 55.487 54.840 -0.101 0.000 0.749 75 L CB -0.309 41.659 42.059 -0.151 0.000 0.901 75 L HN 0.217 nan 8.230 nan 0.000 0.433 76 M N -0.443 119.100 119.600 -0.095 0.000 2.117 76 M HA -0.246 4.221 4.480 -0.022 0.000 0.262 76 M C 1.920 178.181 176.300 -0.065 0.000 1.065 76 M CA 1.781 57.027 55.300 -0.090 0.000 1.114 76 M CB -1.145 31.375 32.600 -0.133 0.000 1.361 76 M HN 0.228 nan 8.290 nan 0.000 0.408 77 D N 0.383 120.753 120.400 -0.050 0.000 2.117 77 D HA -0.121 4.506 4.640 -0.022 0.000 0.197 77 D C 2.069 178.352 176.300 -0.029 0.000 0.987 77 D CA 0.993 54.974 54.000 -0.032 0.000 0.829 77 D CB -0.034 40.757 40.800 -0.015 0.000 0.961 77 D HN 0.298 nan 8.370 nan 0.000 0.460 78 L N -0.248 120.958 121.223 -0.027 0.000 2.261 78 L HA -0.097 4.229 4.340 -0.022 0.000 0.216 78 L C 1.814 178.671 176.870 -0.021 0.000 1.114 78 L CA 0.935 55.765 54.840 -0.017 0.000 0.777 78 L CB -0.085 41.968 42.059 -0.010 0.000 0.910 78 L HN 0.015 nan 8.230 nan 0.000 0.440 79 S N -1.086 114.590 115.700 -0.039 0.000 2.539 79 S HA 0.156 4.612 4.470 -0.022 0.000 0.221 79 S C 1.713 176.264 174.600 -0.083 0.000 0.987 79 S CA -0.324 57.839 58.200 -0.062 0.000 0.929 79 S CB 0.271 63.439 63.200 -0.054 0.000 0.832 79 S HN 0.306 nan 8.310 nan 0.000 0.492 80 I N 2.169 122.702 120.570 -0.061 0.000 2.315 80 I HA -0.248 3.909 4.170 -0.022 0.000 0.251 80 I C 0.649 176.724 176.117 -0.070 0.000 1.125 80 I CA 1.370 62.636 61.300 -0.057 0.000 1.392 80 I CB 0.086 38.064 38.000 -0.036 0.000 1.065 80 I HN 0.213 nan 8.210 nan 0.000 0.424 81 N N 0.842 119.492 118.700 -0.083 0.000 2.184 81 N HA 0.120 4.847 4.740 -0.022 0.000 0.206 81 N C -0.352 174.996 175.510 -0.270 0.000 1.151 81 N CA 0.128 53.122 53.050 -0.093 0.000 0.878 81 N CB 0.358 38.840 38.487 -0.008 0.000 1.014 81 N HN 0.282 nan 8.380 nan 0.000 0.512 82 K N 1.487 121.644 120.400 -0.404 0.000 2.316 82 K HA 0.142 4.449 4.320 -0.022 0.000 0.289 82 K C -0.199 176.009 176.600 -0.653 0.000 1.070 82 K CA -0.355 55.392 56.287 -0.901 0.000 0.928 82 K CB 0.486 32.677 32.500 -0.515 0.000 1.039 82 K HN -0.098 nan 8.250 nan 0.000 0.480 83 N N 2.840 121.041 118.700 -0.831 0.000 2.406 83 N HA -0.017 4.710 4.740 -0.022 0.000 0.251 83 N C 0.281 175.743 175.510 -0.080 0.000 1.069 83 N CA -0.439 52.477 53.050 -0.224 0.000 0.947 83 N CB 0.425 38.902 38.487 -0.017 0.000 1.111 83 N HN 0.652 nan 8.380 nan 0.000 0.497 84 W N 4.982 126.167 121.300 -0.191 0.000 2.364 84 W HA -0.144 4.501 4.660 -0.024 0.000 0.281 84 W C 1.342 177.769 176.519 -0.154 0.000 1.219 84 W CA 0.728 57.985 57.345 -0.147 0.000 1.220 84 W CB -0.010 29.368 29.460 -0.137 0.000 1.127 84 W HN 0.629 nan 8.180 nan 0.000 0.556 85 I N 0.304 120.766 120.570 -0.181 0.000 3.226 85 I HA -0.008 4.149 4.170 -0.022 0.000 0.277 85 I C 0.524 176.399 176.117 -0.402 0.000 1.243 85 I CA 0.920 61.923 61.300 -0.496 0.000 1.459 85 I CB -0.425 37.149 38.000 -0.710 0.000 1.093 85 I HN -0.239 nan 8.210 nan 0.000 0.453 86 D N 0.500 120.790 120.400 -0.185 0.000 2.563 86 D HA 0.051 4.678 4.640 -0.022 0.000 0.222 86 D C 1.229 177.491 176.300 -0.065 0.000 1.145 86 D CA 0.008 53.969 54.000 -0.065 0.000 1.001 86 D CB 0.631 41.507 40.800 0.127 0.000 1.049 86 D HN -0.072 nan 8.370 nan 0.000 0.515 87 K N 0.946 121.199 120.400 -0.244 0.000 2.152 87 K HA -0.140 4.166 4.320 -0.022 0.000 0.206 87 K C 1.649 178.160 176.600 -0.148 0.000 1.048 87 K CA 0.814 56.927 56.287 -0.290 0.000 0.933 87 K CB 0.060 32.200 32.500 -0.599 0.000 0.721 87 K HN 0.437 nan 8.250 nan 0.000 0.447 88 E N -0.093 120.065 120.200 -0.070 0.000 2.152 88 E HA -0.194 4.143 4.350 -0.022 0.000 0.192 88 E C 1.518 178.091 176.600 -0.045 0.000 0.983 88 E CA 1.055 57.507 56.400 0.086 0.000 0.818 88 E CB 0.174 29.967 29.700 0.155 0.000 0.758 88 E HN 0.239 nan 8.360 nan 0.000 0.467 89 E N -0.968 119.133 120.200 -0.165 0.000 2.307 89 E HA -0.025 4.312 4.350 -0.022 0.000 0.195 89 E C -0.478 175.703 176.600 -0.699 0.000 0.975 89 E CA 0.437 56.564 56.400 -0.455 0.000 0.878 89 E CB 0.287 29.621 29.700 -0.611 0.000 0.845 89 E HN 0.239 nan 8.360 nan 0.000 0.488 90 Y N 0.203 120.484 120.300 -0.032 0.000 2.658 90 Y HA 0.343 4.879 4.550 -0.023 0.000 0.362 90 Y C -1.923 173.948 175.900 -0.048 0.000 1.017 90 Y CA -2.241 55.840 58.100 -0.032 0.000 1.134 90 Y CB 1.307 39.748 38.460 -0.031 0.000 1.144 90 Y HN 0.072 nan 8.280 nan 0.000 0.655 91 P HA -0.145 nan 4.420 nan 0.000 0.225 91 P C 1.383 178.695 177.300 0.019 0.000 1.156 91 P CA 1.078 64.187 63.100 0.015 0.000 0.787 91 P CB 0.689 32.404 31.700 0.024 0.000 0.802 92 Q N 0.372 120.197 119.800 0.042 0.000 2.137 92 Q HA -0.005 4.322 4.340 -0.022 0.000 0.198 92 Q C 2.303 178.317 176.000 0.024 0.000 0.960 92 Q CA 1.570 57.393 55.803 0.033 0.000 0.847 92 Q CB -1.001 27.765 28.738 0.046 0.000 0.915 92 Q HN 0.059 nan 8.270 nan 0.000 0.448 93 S N 0.078 115.811 115.700 0.054 0.000 2.399 93 S HA -0.114 4.343 4.470 -0.022 0.000 0.231 93 S C 1.836 176.437 174.600 0.002 0.000 1.022 93 S CA 0.893 59.116 58.200 0.039 0.000 0.983 93 S CB -0.395 62.837 63.200 0.054 0.000 0.803 93 S HN 0.561 nan 8.310 nan 0.000 0.480 94 A N 1.541 124.344 122.820 -0.028 0.000 1.898 94 A HA 0.187 4.493 4.320 -0.022 0.000 0.216 94 A C 2.356 179.904 177.584 -0.060 0.000 1.181 94 A CA 1.538 53.518 52.037 -0.095 0.000 0.620 94 A CB -1.034 17.879 19.000 -0.146 0.000 0.819 94 A HN 0.501 nan 8.150 nan 0.000 0.442 95 A N -0.044 122.750 122.820 -0.043 0.000 1.902 95 A HA -0.078 4.228 4.320 -0.022 0.000 0.217 95 A C 2.117 179.650 177.584 -0.085 0.000 1.181 95 A CA 1.508 53.519 52.037 -0.044 0.000 0.623 95 A CB -0.599 18.383 19.000 -0.029 0.000 0.818 95 A HN 0.487 nan 8.150 nan 0.000 0.443 96 I N -0.295 120.200 120.570 -0.124 0.000 2.226 96 I HA -0.262 3.895 4.170 -0.022 0.000 0.245 96 I C 2.314 178.352 176.117 -0.131 0.000 1.100 96 I CA 1.901 63.035 61.300 -0.278 0.000 1.374 96 I CB -0.370 37.464 38.000 -0.276 0.000 1.057 96 I HN 0.426 nan 8.210 nan 0.000 0.413 97 D N 1.056 121.475 120.400 0.032 0.000 2.104 97 D HA -0.197 4.430 4.640 -0.022 0.000 0.194 97 D C 2.217 178.622 176.300 0.176 0.000 0.994 97 D CA 1.488 55.609 54.000 0.201 0.000 0.830 97 D CB -0.087 40.862 40.800 0.248 0.000 0.959 97 D HN 0.240 nan 8.370 nan 0.000 0.452 98 L N -0.210 121.058 121.223 0.075 0.000 2.083 98 L HA -0.092 4.234 4.340 -0.022 0.000 0.209 98 L C 2.769 179.668 176.870 0.048 0.000 1.083 98 L CA 0.934 55.816 54.840 0.070 0.000 0.752 98 L CB -0.368 41.709 42.059 0.030 0.000 0.899 98 L HN 0.051 nan 8.230 nan 0.000 0.433 99 R N -0.689 119.811 120.500 -0.000 0.000 2.096 99 R HA -0.194 4.133 4.340 -0.022 0.000 0.240 99 R C 2.357 178.689 176.300 0.055 0.000 1.139 99 R CA 1.889 57.993 56.100 0.007 0.000 0.952 99 R CB -0.862 29.394 30.300 -0.073 0.000 0.854 99 R HN 0.425 nan 8.270 nan 0.000 0.436 100 C N 0.030 119.378 119.300 0.082 0.000 2.435 100 C HA -0.012 4.435 4.460 -0.022 0.000 0.279 100 C C 2.729 177.610 174.990 -0.181 0.000 1.321 100 C CA 0.158 59.220 59.018 0.072 0.000 1.752 100 C CB -0.610 27.177 27.740 0.077 0.000 1.959 100 C HN 0.290 nan 8.230 nan 0.000 0.500 101 V N 1.854 121.754 119.914 -0.023 0.000 2.343 101 V HA -0.189 3.918 4.120 -0.022 0.000 0.247 101 V C 2.279 178.331 176.094 -0.070 0.000 1.051 101 V CA 2.010 64.317 62.300 0.013 0.000 1.036 101 V CB -0.606 31.337 31.823 0.200 0.000 0.654 101 V HN 0.518 nan 8.190 nan 0.000 0.451 102 N N -0.243 118.432 118.700 -0.042 0.000 2.188 102 N HA -0.063 4.664 4.740 -0.022 0.000 0.184 102 N C 1.798 177.223 175.510 -0.141 0.000 1.018 102 N CA 1.476 54.489 53.050 -0.060 0.000 0.858 102 N CB -0.272 38.201 38.487 -0.023 0.000 0.989 102 N HN 0.428 nan 8.380 nan 0.000 0.426 103 M N -0.354 119.145 119.600 -0.168 0.000 2.132 103 M HA -0.075 4.392 4.480 -0.022 0.000 0.263 103 M C 2.006 178.013 176.300 -0.490 0.000 1.065 103 M CA 0.901 56.033 55.300 -0.281 0.000 1.122 103 M CB -0.140 32.311 32.600 -0.249 0.000 1.365 103 M HN -0.105 nan 8.290 nan 0.000 0.411 104 V N 0.621 120.185 119.914 -0.583 0.000 2.295 104 V HA -0.258 3.849 4.120 -0.022 0.000 0.246 104 V C 2.702 178.311 176.094 -0.808 0.000 1.049 104 V CA 2.005 63.761 62.300 -0.906 0.000 1.024 104 V CB -1.294 29.922 31.823 -1.011 0.000 0.648 104 V HN 0.514 nan 8.190 nan 0.000 0.447 105 A N 0.355 122.936 122.820 -0.399 0.000 1.873 105 A HA -0.375 3.932 4.320 -0.022 0.000 0.218 105 A C 2.059 179.540 177.584 -0.172 0.000 1.193 105 A CA 2.609 54.553 52.037 -0.155 0.000 0.629 105 A CB -0.925 18.027 19.000 -0.079 0.000 0.826 105 A HN 0.621 nan 8.150 nan 0.000 0.447 106 D N -0.817 119.440 120.400 -0.239 0.000 2.092 106 D HA -0.170 4.457 4.640 -0.022 0.000 0.193 106 D C 1.756 177.831 176.300 -0.375 0.000 0.994 106 D CA 1.452 55.305 54.000 -0.245 0.000 0.828 106 D CB -0.303 40.368 40.800 -0.215 0.000 0.963 106 D HN 0.205 nan 8.370 nan 0.000 0.450 107 L N -0.287 120.648 121.223 -0.480 0.000 2.103 107 L HA -0.168 4.158 4.340 -0.022 0.000 0.215 107 L C 1.232 177.850 176.870 -0.421 0.000 1.080 107 L CA 1.454 55.964 54.840 -0.549 0.000 0.764 107 L CB -0.463 41.145 42.059 -0.751 0.000 0.890 107 L HN 0.328 nan 8.230 nan 0.000 0.435 108 W N -0.777 120.287 121.300 -0.394 0.000 3.325 108 W HA 0.241 4.888 4.660 -0.022 0.000 0.370 108 W C 0.667 177.075 176.519 -0.185 0.000 1.169 108 W CA -0.081 57.031 57.345 -0.389 0.000 1.874 108 W CB -1.433 27.829 29.460 -0.329 0.000 1.076 108 W HN 0.445 nan 8.180 nan 0.000 0.684 109 H N -1.206 117.886 119.070 0.036 0.000 2.820 109 H HA -0.133 4.410 4.556 -0.022 0.000 0.295 109 H C 1.079 176.452 175.328 0.075 0.000 1.187 109 H CA 0.441 56.494 56.048 0.007 0.000 1.144 109 H CB -1.530 28.186 29.762 -0.077 0.000 1.354 109 H HN 0.079 nan 8.280 nan 0.000 0.395 110 A N 0.784 123.699 122.820 0.157 0.000 2.565 110 A HA 0.301 4.608 4.320 -0.022 0.000 0.237 110 A C -1.388 176.130 177.584 -0.111 0.000 1.053 110 A CA -0.794 51.141 52.037 -0.171 0.000 0.755 110 A CB 0.169 18.977 19.000 -0.321 0.000 0.980 110 A HN 0.194 nan 8.150 nan 0.000 0.506 111 P HA 0.185 nan 4.420 nan 0.000 0.266 111 P C -0.070 177.191 177.300 -0.065 0.000 1.186 111 P CA 0.557 63.613 63.100 -0.074 0.000 0.767 111 P CB 0.357 32.011 31.700 -0.078 0.000 0.820 112 A N 4.234 127.031 122.820 -0.038 0.000 2.522 112 A HA 0.329 4.636 4.320 -0.022 0.000 0.256 112 A C -1.781 175.786 177.584 -0.029 0.000 1.086 112 A CA -0.798 51.220 52.037 -0.031 0.000 0.763 112 A CB -1.333 17.655 19.000 -0.020 0.000 1.024 112 A HN 0.405 nan 8.150 nan 0.000 0.502 113 P HA 0.151 nan 4.420 nan 0.000 0.269 113 P C 0.538 177.831 177.300 -0.010 0.000 1.209 113 P CA -0.309 62.781 63.100 -0.018 0.000 0.776 113 P CB 0.630 32.324 31.700 -0.009 0.000 0.876 114 K N 1.919 122.314 120.400 -0.008 0.000 2.026 114 K HA -0.146 4.161 4.320 -0.022 0.000 0.208 114 K C 1.353 177.952 176.600 -0.001 0.000 1.048 114 K CA 1.699 57.983 56.287 -0.004 0.000 0.929 114 K CB -0.370 32.128 32.500 -0.004 0.000 0.713 114 K HN 0.546 nan 8.250 nan 0.000 0.439 115 N N 0.138 118.839 118.700 0.002 0.000 2.461 115 N HA -0.034 4.692 4.740 -0.022 0.000 0.188 115 N C 1.012 176.527 175.510 0.008 0.000 1.134 115 N CA 1.119 54.172 53.050 0.006 0.000 0.878 115 N CB 0.451 38.943 38.487 0.009 0.000 0.972 115 N HN 0.333 nan 8.380 nan 0.000 0.456 116 G N -0.740 108.063 108.800 0.005 0.000 2.176 116 G HA2 -0.289 3.658 3.960 -0.022 0.000 0.253 116 G HA3 -0.289 3.658 3.960 -0.022 0.000 0.253 116 G C -0.274 174.631 174.900 0.010 0.000 0.979 116 G CA 0.432 45.535 45.100 0.005 0.000 0.641 116 G HN 0.695 nan 8.290 nan 0.000 0.530 117 Q N 0.409 120.218 119.800 0.015 0.000 2.321 117 Q HA 0.784 5.110 4.340 -0.022 0.000 0.270 117 Q C 0.225 176.244 176.000 0.032 0.000 1.032 117 Q CA 0.325 56.143 55.803 0.026 0.000 0.784 117 Q CB 1.426 30.185 28.738 0.035 0.000 1.264 117 Q HN 1.181 nan 8.270 nan 0.000 0.448 118 A N 2.756 125.596 122.820 0.034 0.000 2.448 118 A HA 0.441 4.748 4.320 -0.022 0.000 0.239 118 A C -0.520 177.128 177.584 0.106 0.000 1.080 118 A CA -0.307 51.757 52.037 0.044 0.000 0.779 118 A CB 0.421 19.439 19.000 0.031 0.000 1.026 118 A HN 0.587 nan 8.150 nan 0.000 0.499 119 V N 1.666 121.665 119.914 0.142 0.000 2.383 119 V HA 0.681 4.788 4.120 -0.022 0.000 0.275 119 V C 0.789 177.152 176.094 0.450 0.000 1.036 119 V CA 0.839 63.289 62.300 0.249 0.000 0.889 119 V CB 0.151 32.109 31.823 0.225 0.000 0.985 119 V HN 1.585 nan 8.190 nan 0.000 0.459 120 G N 2.982 112.097 108.800 0.525 0.000 2.313 120 G HA2 0.526 4.473 3.960 -0.022 0.000 0.296 120 G HA3 0.526 4.473 3.960 -0.022 0.000 0.296 120 G C -1.000 174.232 174.900 0.554 0.000 1.356 120 G CA 0.075 45.551 45.100 0.627 0.000 0.833 120 G HN 0.783 nan 8.290 nan 0.000 0.552 121 T N -0.402 114.481 114.554 0.548 0.000 3.012 121 T HA 0.450 4.787 4.350 -0.022 0.000 0.330 121 T C -0.806 174.146 174.700 0.420 0.000 1.321 121 T CA -0.572 61.832 62.100 0.507 0.000 1.067 121 T CB 1.466 70.626 68.868 0.487 0.000 1.235 121 T HN 0.827 nan 8.240 nan 0.000 0.479 122 N N 2.195 121.101 118.700 0.343 0.000 2.441 122 N HA 0.268 4.995 4.740 -0.022 0.000 0.251 122 N C -0.081 175.194 175.510 -0.391 0.000 1.242 122 N CA 0.615 53.464 53.050 -0.336 0.000 0.898 122 N CB 0.856 39.126 38.487 -0.362 0.000 1.100 122 N HN 0.851 nan 8.380 nan 0.000 0.443 123 T N 0.114 114.313 114.554 -0.592 0.000 2.838 123 T HA 0.362 4.699 4.350 -0.022 0.000 0.292 123 T C 1.540 175.920 174.700 -0.533 0.000 1.113 123 T CA -0.852 60.956 62.100 -0.487 0.000 1.008 123 T CB 0.836 69.530 68.868 -0.289 0.000 1.259 123 T HN 0.256 nan 8.240 nan 0.000 0.520 124 I N 0.832 121.169 120.570 -0.389 0.000 2.493 124 I HA 0.211 4.368 4.170 -0.022 0.000 0.254 124 I C 1.441 177.451 176.117 -0.179 0.000 1.160 124 I CA 1.643 62.778 61.300 -0.276 0.000 1.445 124 I CB -1.196 36.694 38.000 -0.183 0.000 1.086 124 I HN 1.029 nan 8.210 nan 0.000 0.433 125 G N -1.546 107.133 108.800 -0.201 0.000 2.427 125 G HA2 0.162 4.109 3.960 -0.022 0.000 0.306 125 G HA3 0.162 4.109 3.960 -0.022 0.000 0.306 125 G C 0.161 174.976 174.900 -0.141 0.000 1.280 125 G CA 0.104 45.101 45.100 -0.172 0.000 0.837 125 G HN -0.151 nan 8.290 nan 0.000 0.482 126 S N -0.546 115.112 115.700 -0.070 0.000 2.428 126 S HA -0.038 4.419 4.470 -0.022 0.000 0.230 126 S C 2.494 177.035 174.600 -0.098 0.000 1.014 126 S CA 1.696 59.871 58.200 -0.041 0.000 0.957 126 S CB -0.157 63.047 63.200 0.008 0.000 0.784 126 S HN 0.636 nan 8.310 nan 0.000 0.499 127 S N 1.472 117.116 115.700 -0.093 0.000 2.343 127 S HA -0.187 4.270 4.470 -0.022 0.000 0.219 127 S C 1.962 176.472 174.600 -0.150 0.000 1.033 127 S CA 1.754 59.876 58.200 -0.131 0.000 1.014 127 S CB -0.425 62.743 63.200 -0.054 0.000 0.915 127 S HN 0.686 nan 8.310 nan 0.000 0.435 128 E N 0.551 120.687 120.200 -0.107 0.000 2.058 128 E HA -0.148 4.189 4.350 -0.022 0.000 0.194 128 E C 2.103 178.603 176.600 -0.166 0.000 0.997 128 E CA 1.220 57.552 56.400 -0.113 0.000 0.801 128 E CB -0.533 29.099 29.700 -0.112 0.000 0.746 128 E HN 0.548 nan 8.360 nan 0.000 0.450 129 A N 0.608 123.340 122.820 -0.147 0.000 1.948 129 A HA -0.241 4.065 4.320 -0.022 0.000 0.220 129 A C 2.506 179.980 177.584 -0.183 0.000 1.177 129 A CA 1.644 53.614 52.037 -0.113 0.000 0.636 129 A CB -1.058 17.927 19.000 -0.024 0.000 0.815 129 A HN 0.577 nan 8.150 nan 0.000 0.449 130 C N -1.002 118.116 119.300 -0.303 0.000 2.436 130 C HA -0.134 4.313 4.460 -0.022 0.000 0.277 130 C C 2.858 177.401 174.990 -0.746 0.000 1.241 130 C CA 1.341 59.966 59.018 -0.655 0.000 1.721 130 C CB -1.051 26.014 27.740 -1.126 0.000 2.043 130 C HN 0.607 nan 8.230 nan 0.000 0.472 131 M N 0.858 120.146 119.600 -0.521 0.000 2.108 131 M HA -0.147 4.320 4.480 -0.022 0.000 0.257 131 M C 1.955 178.000 176.300 -0.426 0.000 1.071 131 M CA 1.703 56.735 55.300 -0.447 0.000 1.093 131 M CB -1.707 30.775 32.600 -0.196 0.000 1.345 131 M HN 0.392 nan 8.290 nan 0.000 0.403 132 L N -1.001 120.039 121.223 -0.306 0.000 2.044 132 L HA -0.054 4.272 4.340 -0.022 0.000 0.205 132 L C 2.747 179.748 176.870 0.219 0.000 1.075 132 L CA 1.239 55.963 54.840 -0.193 0.000 0.747 132 L CB -1.512 40.364 42.059 -0.305 0.000 0.903 132 L HN 0.381 nan 8.230 nan 0.000 0.435 133 G N 0.027 108.831 108.800 0.006 0.000 2.469 133 G HA2 -0.249 3.697 3.960 -0.022 0.000 0.219 133 G HA3 -0.249 3.697 3.960 -0.022 0.000 0.219 133 G C 1.552 176.372 174.900 -0.133 0.000 1.150 133 G CA 0.963 46.001 45.100 -0.104 0.000 0.763 133 G HN 0.498 nan 8.290 nan 0.000 0.561 134 G N 0.364 108.895 108.800 -0.448 0.000 2.394 134 G HA2 -0.117 3.829 3.960 -0.022 0.000 0.214 134 G HA3 -0.117 3.829 3.960 -0.022 0.000 0.214 134 G C 1.910 176.706 174.900 -0.175 0.000 1.176 134 G CA 0.874 45.482 45.100 -0.819 0.000 0.786 134 G HN 0.381 nan 8.290 nan 0.000 0.533 135 M N 0.907 120.479 119.600 -0.048 0.000 2.108 135 M HA -0.095 4.372 4.480 -0.022 0.000 0.261 135 M C 3.046 179.552 176.300 0.344 0.000 1.066 135 M CA 1.508 56.931 55.300 0.206 0.000 1.107 135 M CB -0.354 32.285 32.600 0.065 0.000 1.356 135 M HN 0.345 nan 8.290 nan 0.000 0.406 136 A N 0.081 123.097 122.820 0.326 0.000 1.902 136 A HA -0.176 4.131 4.320 -0.022 0.000 0.217 136 A C 2.148 179.951 177.584 0.366 0.000 1.181 136 A CA 1.529 53.755 52.037 0.314 0.000 0.623 136 A CB -0.611 18.665 19.000 0.459 0.000 0.818 136 A HN 0.442 nan 8.150 nan 0.000 0.443 137 M N -0.909 118.885 119.600 0.323 0.000 2.080 137 M HA -0.210 4.256 4.480 -0.022 0.000 0.260 137 M C 2.356 178.879 176.300 0.372 0.000 1.068 137 M CA 2.187 57.661 55.300 0.289 0.000 1.109 137 M CB -0.305 32.393 32.600 0.164 0.000 1.342 137 M HN 0.485 nan 8.290 nan 0.000 0.405 138 K N -0.379 120.282 120.400 0.435 0.000 2.063 138 K HA -0.215 4.091 4.320 -0.022 0.000 0.208 138 K C 1.952 178.885 176.600 0.555 0.000 1.048 138 K CA 1.479 58.063 56.287 0.495 0.000 0.928 138 K CB -0.147 32.688 32.500 0.558 0.000 0.713 138 K HN 0.487 nan 8.250 nan 0.000 0.442 139 W N 1.022 122.477 121.300 0.259 0.000 2.418 139 W HA -0.086 4.562 4.660 -0.021 0.000 0.292 139 W C 2.048 178.665 176.519 0.165 0.000 1.213 139 W CA 0.677 58.135 57.345 0.188 0.000 1.283 139 W CB 0.023 29.542 29.460 0.098 0.000 1.119 139 W HN 0.176 nan 8.180 nan 0.000 0.542 140 R N -0.968 119.769 120.500 0.394 0.000 2.092 140 R HA -0.196 4.131 4.340 -0.022 0.000 0.231 140 R C 1.978 178.428 176.300 0.250 0.000 1.119 140 R CA 1.817 58.078 56.100 0.268 0.000 0.970 140 R CB -1.093 29.354 30.300 0.244 0.000 0.864 140 R HN 0.196 nan 8.270 nan 0.000 0.440 141 W N 1.915 123.290 121.300 0.125 0.000 2.381 141 W HA -0.103 4.544 4.660 -0.022 0.000 0.301 141 W C 1.966 178.510 176.519 0.042 0.000 1.205 141 W CA 1.069 58.466 57.345 0.086 0.000 1.285 141 W CB 0.009 29.529 29.460 0.099 0.000 1.133 141 W HN -0.151 nan 8.180 nan 0.000 0.521 142 R N 0.472 120.982 120.500 0.017 0.000 2.081 142 R HA -0.143 4.184 4.340 -0.022 0.000 0.235 142 R C 2.213 178.346 176.300 -0.278 0.000 1.131 142 R CA 1.773 57.687 56.100 -0.310 0.000 0.960 142 R CB -0.477 29.713 30.300 -0.183 0.000 0.856 142 R HN 0.229 nan 8.270 nan 0.000 0.436 143 K N 0.058 120.385 120.400 -0.121 0.000 2.097 143 K HA -0.154 4.152 4.320 -0.022 0.000 0.206 143 K C 2.204 178.728 176.600 -0.127 0.000 1.049 143 K CA 1.109 57.343 56.287 -0.088 0.000 0.933 143 K CB -0.102 32.397 32.500 -0.002 0.000 0.717 143 K HN 0.086 nan 8.250 nan 0.000 0.442 144 R N 0.178 120.588 120.500 -0.150 0.000 2.075 144 R HA -0.057 4.269 4.340 -0.022 0.000 0.232 144 R C 2.296 178.460 176.300 -0.227 0.000 1.126 144 R CA 1.259 57.270 56.100 -0.149 0.000 0.963 144 R CB 0.040 30.277 30.300 -0.105 0.000 0.858 144 R HN 0.129 nan 8.270 nan 0.000 0.435 145 M N 0.224 119.580 119.600 -0.407 0.000 2.099 145 M HA -0.124 4.343 4.480 -0.022 0.000 0.262 145 M C 1.865 178.014 176.300 -0.252 0.000 1.067 145 M CA 1.660 56.723 55.300 -0.396 0.000 1.124 145 M CB -0.956 31.247 32.600 -0.662 0.000 1.353 145 M HN 0.131 nan 8.290 nan 0.000 0.410 146 E N 0.667 120.723 120.200 -0.240 0.000 2.097 146 E HA -0.173 4.164 4.350 -0.022 0.000 0.196 146 E C 2.100 178.634 176.600 -0.110 0.000 1.000 146 E CA 1.535 57.842 56.400 -0.154 0.000 0.804 146 E CB -0.209 29.411 29.700 -0.134 0.000 0.740 146 E HN 0.529 nan 8.360 nan 0.000 0.454 147 A N 1.183 123.941 122.820 -0.104 0.000 1.902 147 A HA -0.067 4.239 4.320 -0.022 0.000 0.217 147 A C 2.245 179.788 177.584 -0.069 0.000 1.181 147 A CA 1.603 53.597 52.037 -0.072 0.000 0.623 147 A CB -0.423 18.541 19.000 -0.060 0.000 0.818 147 A HN 0.278 nan 8.150 nan 0.000 0.443 148 A N -1.713 121.055 122.820 -0.086 0.000 2.278 148 A HA 0.426 4.732 4.320 -0.022 0.000 0.212 148 A C 1.694 179.236 177.584 -0.070 0.000 1.213 148 A CA 1.086 53.080 52.037 -0.072 0.000 0.840 148 A CB -1.089 17.866 19.000 -0.076 0.000 0.866 148 A HN 1.899 nan 8.150 nan 0.000 0.489 149 G N -0.517 108.238 108.800 -0.076 0.000 2.153 149 G HA2 -0.281 3.665 3.960 -0.022 0.000 0.252 149 G HA3 -0.281 3.665 3.960 -0.022 0.000 0.252 149 G C 0.173 175.034 174.900 -0.066 0.000 0.994 149 G CA 0.801 45.863 45.100 -0.063 0.000 0.698 149 G HN 0.605 nan 8.290 nan 0.000 0.521 150 K N 0.581 120.926 120.400 -0.093 0.000 2.098 150 K HA 0.556 4.862 4.320 -0.022 0.000 0.258 150 K C -2.229 174.318 176.600 -0.088 0.000 0.973 150 K CA -1.979 54.260 56.287 -0.081 0.000 0.898 150 K CB 1.050 33.499 32.500 -0.085 0.000 1.057 150 K HN 0.009 nan 8.250 nan 0.000 0.447 151 P HA 0.005 nan 4.420 nan 0.000 0.269 151 P C -0.119 177.173 177.300 -0.014 0.000 1.209 151 P CA -0.172 62.918 63.100 -0.016 0.000 0.776 151 P CB 0.606 32.321 31.700 0.025 0.000 0.876 152 T N -3.605 110.952 114.554 0.004 0.000 3.252 152 T HA 0.074 4.410 4.350 -0.022 0.000 0.286 152 T C 0.535 175.396 174.700 0.268 0.000 1.013 152 T CA -0.286 61.848 62.100 0.056 0.000 0.914 152 T CB -0.486 68.306 68.868 -0.126 0.000 1.131 152 T HN 0.396 nan 8.240 nan 0.000 0.529 153 D N 0.965 121.477 120.400 0.187 0.000 2.339 153 D HA 0.041 4.668 4.640 -0.022 0.000 0.217 153 D C 0.671 177.058 176.300 0.145 0.000 1.050 153 D CA -0.181 53.905 54.000 0.143 0.000 0.856 153 D CB 0.199 41.049 40.800 0.082 0.000 0.922 153 D HN 0.331 nan 8.370 nan 0.000 0.518 154 K N 1.641 122.160 120.400 0.199 0.000 3.237 154 K HA 0.236 4.543 4.320 -0.022 0.000 0.197 154 K C -2.600 174.018 176.600 0.031 0.000 1.133 154 K CA -1.444 54.912 56.287 0.115 0.000 0.944 154 K CB 1.683 34.244 32.500 0.103 0.000 0.952 154 K HN 0.125 nan 8.250 nan 0.000 0.515 155 P HA -0.055 nan 4.420 nan 0.000 0.267 155 P C -0.979 176.146 177.300 -0.292 0.000 1.200 155 P CA 0.050 62.821 63.100 -0.548 0.000 0.772 155 P CB 0.592 31.961 31.700 -0.552 0.000 0.855 156 N N 1.596 120.099 118.700 -0.329 0.000 2.405 156 N HA 0.584 5.311 4.740 -0.022 0.000 0.285 156 N C -1.541 173.872 175.510 -0.162 0.000 1.262 156 N CA -0.967 51.985 53.050 -0.163 0.000 0.773 156 N CB 1.167 39.602 38.487 -0.087 0.000 1.490 156 N HN 0.227 nan 8.380 nan 0.000 0.486 157 L N 1.403 122.581 121.223 -0.074 0.000 2.409 157 L HA 0.615 4.942 4.340 -0.022 0.000 0.272 157 L C -1.617 175.206 176.870 -0.079 0.000 0.980 157 L CA -0.809 53.994 54.840 -0.061 0.000 0.826 157 L CB 1.567 43.652 42.059 0.044 0.000 1.268 157 L HN 0.582 nan 8.230 nan 0.000 0.407 158 V N 4.891 124.737 119.914 -0.112 0.000 2.435 158 V HA 0.714 4.821 4.120 -0.022 0.000 0.290 158 V C 0.237 176.245 176.094 -0.143 0.000 1.030 158 V CA -0.300 61.933 62.300 -0.111 0.000 0.881 158 V CB 1.462 33.216 31.823 -0.114 0.000 0.983 158 V HN 1.011 nan 8.190 nan 0.000 0.445 159 C N 2.369 121.597 119.300 -0.119 0.000 3.320 159 C HA 0.960 5.407 4.460 -0.022 0.000 0.335 159 C C 0.515 175.470 174.990 -0.059 0.000 1.430 159 C CA -0.080 58.857 59.018 -0.135 0.000 1.271 159 C CB 1.159 28.771 27.740 -0.214 0.000 1.609 159 C HN 0.986 nan 8.230 nan 0.000 0.457 160 G N -0.351 108.433 108.800 -0.026 0.000 2.849 160 G HA2 0.742 4.689 3.960 -0.022 0.000 0.174 160 G HA3 0.742 4.689 3.960 -0.022 0.000 0.174 160 G C -2.610 172.342 174.900 0.087 0.000 1.370 160 G CA -0.806 44.321 45.100 0.045 0.000 1.040 160 G HN 0.732 nan 8.290 nan 0.000 0.582 161 P HA 0.191 nan 4.420 nan 0.000 0.241 161 P C 0.387 177.915 177.300 0.379 0.000 1.760 161 P CA -0.325 62.931 63.100 0.260 0.000 1.081 161 P CB -0.251 31.621 31.700 0.287 0.000 1.975 162 V N -0.588 119.507 119.914 0.302 0.000 3.051 162 V HA 0.213 4.319 4.120 -0.022 0.000 0.306 162 V C 0.829 177.175 176.094 0.421 0.000 1.083 162 V CA -0.747 61.731 62.300 0.297 0.000 1.104 162 V CB 0.359 32.317 31.823 0.225 0.000 1.027 162 V HN 0.230 nan 8.190 nan 0.000 0.483 163 Q N 0.913 120.913 119.800 0.334 0.000 2.492 163 Q HA 0.177 4.504 4.340 -0.022 0.000 0.238 163 Q C 0.956 177.173 176.000 0.361 0.000 1.045 163 Q CA 0.047 55.992 55.803 0.237 0.000 0.934 163 Q CB 0.979 29.775 28.738 0.096 0.000 1.276 163 Q HN 0.940 nan 8.270 nan 0.000 0.521 164 I N 1.785 122.537 120.570 0.303 0.000 2.614 164 I HA -0.254 3.903 4.170 -0.022 0.000 0.258 164 I C 2.228 178.432 176.117 0.145 0.000 1.189 164 I CA 0.981 62.450 61.300 0.280 0.000 1.462 164 I CB -0.109 37.928 38.000 0.061 0.000 1.092 164 I HN 0.829 nan 8.210 nan 0.000 0.442 165 C N -0.584 118.714 119.300 -0.004 0.000 2.410 165 C HA -0.169 4.278 4.460 -0.022 0.000 0.281 165 C C 2.257 177.060 174.990 -0.311 0.000 1.318 165 C CA 0.012 58.904 59.018 -0.209 0.000 1.776 165 C CB -2.014 25.500 27.740 -0.376 0.000 1.942 165 C HN 0.678 nan 8.230 nan 0.000 0.508 166 W N -0.181 121.168 121.300 0.081 0.000 2.576 166 W HA 0.107 4.754 4.660 -0.022 0.000 0.270 166 W C 2.910 179.427 176.519 -0.004 0.000 1.255 166 W CA 0.893 58.264 57.345 0.043 0.000 1.314 166 W CB -0.564 28.871 29.460 -0.042 0.000 1.101 166 W HN 0.435 nan 8.180 nan 0.000 0.595 167 H N 0.732 119.932 119.070 0.217 0.000 2.321 167 H HA -0.085 4.458 4.556 -0.022 0.000 0.300 167 H C 1.824 177.121 175.328 -0.051 0.000 1.087 167 H CA 1.585 57.691 56.048 0.096 0.000 1.319 167 H CB -0.306 29.497 29.762 0.067 0.000 1.379 167 H HN 0.204 nan 8.280 nan 0.000 0.501 168 K N 0.198 120.566 120.400 -0.053 0.000 2.097 168 K HA -0.150 4.157 4.320 -0.022 0.000 0.206 168 K C 2.097 178.538 176.600 -0.266 0.000 1.049 168 K CA 1.227 57.237 56.287 -0.462 0.000 0.933 168 K CB -0.240 32.035 32.500 -0.376 0.000 0.717 168 K HN 0.093 nan 8.250 nan 0.000 0.442 169 F N 1.763 121.689 119.950 -0.041 0.000 2.102 169 F HA -0.193 4.321 4.527 -0.022 0.000 0.298 169 F C 2.199 178.179 175.800 0.300 0.000 1.105 169 F CA 1.439 59.554 58.000 0.191 0.000 1.239 169 F CB -0.496 38.504 39.000 -0.000 0.000 0.991 169 F HN -0.029 nan 8.300 nan 0.000 0.474 170 A N 0.399 123.234 122.820 0.026 0.000 1.877 170 A HA -0.208 4.099 4.320 -0.022 0.000 0.216 170 A C 2.261 179.804 177.584 -0.068 0.000 1.186 170 A CA 1.931 53.937 52.037 -0.052 0.000 0.620 170 A CB -0.842 18.209 19.000 0.086 0.000 0.822 170 A HN 0.450 nan 8.150 nan 0.000 0.443 171 R N -1.437 119.027 120.500 -0.060 0.000 2.062 171 R HA -0.127 4.200 4.340 -0.022 0.000 0.231 171 R C 1.898 178.248 176.300 0.084 0.000 1.136 171 R CA 1.874 57.959 56.100 -0.025 0.000 0.948 171 R CB -0.660 29.569 30.300 -0.118 0.000 0.845 171 R HN 0.538 nan 8.270 nan 0.000 0.430 172 Y N -1.621 118.651 120.300 -0.046 0.000 2.421 172 Y HA -0.122 4.415 4.550 -0.023 0.000 0.292 172 Y C 1.200 176.850 175.900 -0.417 0.000 1.136 172 Y CA 0.137 58.087 58.100 -0.251 0.000 1.255 172 Y CB -0.196 38.058 38.460 -0.342 0.000 0.991 172 Y HN 0.248 nan 8.280 nan 0.000 0.552 173 W N 0.372 121.605 121.300 -0.112 0.000 2.818 173 W HA 0.182 4.828 4.660 -0.023 0.000 0.403 173 W C -0.413 176.020 176.519 -0.143 0.000 0.991 173 W CA -0.242 57.014 57.345 -0.149 0.000 1.925 173 W CB 0.229 29.474 29.460 -0.358 0.000 1.166 173 W HN 0.034 nan 8.180 nan 0.000 0.605 174 D N 0.986 121.408 120.400 0.036 0.000 2.697 174 D HA -0.145 4.482 4.640 -0.022 0.000 0.238 174 D C -0.381 175.927 176.300 0.013 0.000 1.152 174 D CA 0.826 54.842 54.000 0.027 0.000 0.666 174 D CB -1.521 39.305 40.800 0.043 0.000 1.037 174 D HN -0.137 nan 8.370 nan 0.000 0.423 175 V N 0.393 120.290 119.914 -0.030 0.000 2.555 175 V HA 0.213 4.320 4.120 -0.022 0.000 0.302 175 V C 0.721 176.812 176.094 -0.004 0.000 1.038 175 V CA -0.839 61.446 62.300 -0.026 0.000 0.887 175 V CB 2.301 34.121 31.823 -0.004 0.000 0.991 175 V HN 0.089 nan 8.190 nan 0.000 0.434 176 E N 2.915 123.108 120.200 -0.012 0.000 2.220 176 E HA 0.140 4.477 4.350 -0.022 0.000 0.272 176 E C -0.769 175.836 176.600 0.008 0.000 1.099 176 E CA -0.594 55.807 56.400 0.001 0.000 0.907 176 E CB 0.872 30.567 29.700 -0.007 0.000 1.022 176 E HN 0.509 nan 8.360 nan 0.000 0.428 177 L N 6.144 127.382 121.223 0.025 0.000 2.485 177 L HA 0.077 4.404 4.340 -0.022 0.000 0.279 177 L C 0.130 177.002 176.870 0.003 0.000 1.124 177 L CA 0.539 55.389 54.840 0.016 0.000 0.888 177 L CB 0.152 42.214 42.059 0.005 0.000 1.217 177 L HN 0.433 nan 8.230 nan 0.000 0.464 178 R N 4.394 124.884 120.500 -0.017 0.000 3.570 178 R HA 0.131 4.457 4.340 -0.022 0.000 0.233 178 R C -0.288 175.996 176.300 -0.026 0.000 1.492 178 R CA -0.184 55.904 56.100 -0.020 0.000 1.504 178 R CB 0.026 30.307 30.300 -0.033 0.000 1.314 178 R HN 0.600 nan 8.270 nan 0.000 0.687 179 E N 2.373 122.569 120.200 -0.006 0.000 2.265 179 E HA 0.021 4.357 4.350 -0.022 0.000 0.272 179 E C -0.369 176.234 176.600 0.004 0.000 1.067 179 E CA -0.643 55.759 56.400 0.004 0.000 0.900 179 E CB 0.526 30.256 29.700 0.048 0.000 1.017 179 E HN 0.183 nan 8.360 nan 0.000 0.431 180 I N 8.569 129.135 120.570 -0.008 0.000 2.587 180 I HA 0.060 4.217 4.170 -0.022 0.000 0.284 180 I C -1.881 174.233 176.117 -0.005 0.000 1.134 180 I CA -2.423 58.868 61.300 -0.015 0.000 1.410 180 I CB 0.225 38.209 38.000 -0.027 0.000 1.392 180 I HN 0.457 nan 8.210 nan 0.000 0.545 181 P HA 0.116 nan 4.420 nan 0.000 0.271 181 P C -0.275 177.010 177.300 -0.024 0.000 1.216 181 P CA -0.432 62.662 63.100 -0.010 0.000 0.776 181 P CB 0.527 32.218 31.700 -0.014 0.000 0.881 182 M N 3.401 122.994 119.600 -0.013 0.000 2.248 182 M HA 0.058 4.525 4.480 -0.022 0.000 0.345 182 M C 1.006 177.287 176.300 -0.033 0.000 1.243 182 M CA 1.055 56.344 55.300 -0.018 0.000 1.090 182 M CB -0.014 32.587 32.600 0.001 0.000 1.683 182 M HN 0.399 nan 8.290 nan 0.000 0.450 183 R N 2.620 123.090 120.500 -0.051 0.000 2.707 183 R HA 0.671 4.997 4.340 -0.022 0.000 0.272 183 R C -3.142 173.135 176.300 -0.037 0.000 1.011 183 R CA -2.081 53.994 56.100 -0.043 0.000 0.893 183 R CB 0.192 30.462 30.300 -0.050 0.000 1.233 183 R HN 0.220 nan 8.270 nan 0.000 0.464 184 P HA -0.017 nan 4.420 nan 0.000 0.261 184 P C 0.645 177.939 177.300 -0.009 0.000 1.173 184 P CA 1.958 65.054 63.100 -0.007 0.000 0.760 184 P CB 0.623 32.320 31.700 -0.005 0.000 0.783 185 G N 2.414 111.223 108.800 0.015 0.000 2.284 185 G HA2 -0.302 3.645 3.960 -0.022 0.000 0.247 185 G HA3 -0.302 3.645 3.960 -0.022 0.000 0.247 185 G C 0.259 175.160 174.900 0.001 0.000 1.012 185 G CA 0.137 45.252 45.100 0.025 0.000 0.618 185 G HN 0.617 nan 8.290 nan 0.000 0.521 186 Q N -0.163 119.586 119.800 -0.086 0.000 2.891 186 Q HA 0.614 4.941 4.340 -0.022 0.000 0.242 186 Q C 0.608 176.419 176.000 -0.314 0.000 0.959 186 Q CA -0.486 55.122 55.803 -0.326 0.000 0.707 186 Q CB 0.506 29.024 28.738 -0.366 0.000 1.283 186 Q HN 0.343 nan 8.270 nan 0.000 0.480 187 L N 4.072 125.239 121.223 -0.095 0.000 2.653 187 L HA 0.296 4.622 4.340 -0.022 0.000 0.232 187 L C -0.506 176.494 176.870 0.216 0.000 1.169 187 L CA 0.159 55.070 54.840 0.118 0.000 0.951 187 L CB -0.310 41.892 42.059 0.239 0.000 1.181 187 L HN 0.429 nan 8.230 nan 0.000 0.460 188 F N -3.715 116.265 119.950 0.051 0.000 2.779 188 F HA 0.402 4.915 4.527 -0.022 0.000 0.316 188 F C -0.494 175.330 175.800 0.039 0.000 1.164 188 F CA -1.575 56.457 58.000 0.053 0.000 0.924 188 F CB 1.219 40.256 39.000 0.061 0.000 1.348 188 F HN -0.260 nan 8.300 nan 0.000 0.467 189 M N 3.912 123.660 119.600 0.247 0.000 2.193 189 M HA 0.212 4.679 4.480 -0.022 0.000 0.342 189 M C -0.930 175.493 176.300 0.205 0.000 1.413 189 M CA -0.251 55.121 55.300 0.120 0.000 1.191 189 M CB -0.158 32.492 32.600 0.082 0.000 1.633 189 M HN 0.700 nan 8.290 nan 0.000 0.458 190 D N 5.829 126.261 120.400 0.053 0.000 2.294 190 D HA 0.324 4.951 4.640 -0.022 0.000 0.250 190 D C -2.417 173.919 176.300 0.061 0.000 1.058 190 D CA -1.660 52.406 54.000 0.111 0.000 0.950 190 D CB 0.585 41.372 40.800 -0.021 0.000 1.158 190 D HN 0.277 nan 8.370 nan 0.000 0.453 191 P HA -0.191 nan 4.420 nan 0.000 0.215 191 P C 1.474 178.770 177.300 -0.007 0.000 1.157 191 P CA 1.575 64.694 63.100 0.031 0.000 0.874 191 P CB 0.166 31.897 31.700 0.051 0.000 0.790 192 K N 0.104 120.504 120.400 0.001 0.000 1.991 192 K HA -0.178 4.129 4.320 -0.022 0.000 0.212 192 K C 2.232 178.812 176.600 -0.034 0.000 1.049 192 K CA 1.686 57.966 56.287 -0.012 0.000 0.932 192 K CB -0.223 32.275 32.500 -0.004 0.000 0.717 192 K HN -0.097 nan 8.250 nan 0.000 0.441 193 R N 0.274 120.750 120.500 -0.041 0.000 2.115 193 R HA -0.077 4.250 4.340 -0.022 0.000 0.230 193 R C 2.388 178.649 176.300 -0.065 0.000 1.111 193 R CA 1.585 57.655 56.100 -0.050 0.000 0.976 193 R CB -0.267 29.999 30.300 -0.058 0.000 0.870 193 R HN 0.403 nan 8.270 nan 0.000 0.445 194 M N 0.563 120.121 119.600 -0.069 0.000 2.065 194 M HA -0.197 4.269 4.480 -0.022 0.000 0.259 194 M C 1.658 177.856 176.300 -0.170 0.000 1.069 194 M CA 1.796 57.036 55.300 -0.100 0.000 1.110 194 M CB -0.002 32.548 32.600 -0.083 0.000 1.328 194 M HN 0.078 nan 8.290 nan 0.000 0.405 195 I N 0.865 121.322 120.570 -0.189 0.000 2.264 195 I HA -0.274 3.883 4.170 -0.022 0.000 0.248 195 I C 2.099 178.093 176.117 -0.206 0.000 1.111 195 I CA 1.701 62.820 61.300 -0.302 0.000 1.382 195 I CB -1.510 36.371 38.000 -0.200 0.000 1.060 195 I HN 0.431 nan 8.210 nan 0.000 0.418 196 E N 0.632 120.776 120.200 -0.093 0.000 2.160 196 E HA -0.163 4.173 4.350 -0.022 0.000 0.195 196 E C 2.167 178.743 176.600 -0.039 0.000 0.991 196 E CA 1.411 57.789 56.400 -0.036 0.000 0.810 196 E CB -0.088 29.601 29.700 -0.019 0.000 0.742 196 E HN 0.505 nan 8.360 nan 0.000 0.466 197 A N -0.180 122.594 122.820 -0.076 0.000 2.132 197 A HA 0.032 4.339 4.320 -0.022 0.000 0.213 197 A C 0.890 178.431 177.584 -0.073 0.000 1.154 197 A CA -0.037 51.964 52.037 -0.061 0.000 0.753 197 A CB 0.022 18.983 19.000 -0.064 0.000 0.826 197 A HN 0.226 nan 8.150 nan 0.000 0.469 198 C N 1.433 120.640 119.300 -0.154 0.000 2.539 198 C HA 0.598 5.045 4.460 -0.022 0.000 0.392 198 C C 0.048 175.089 174.990 0.086 0.000 1.269 198 C CA -0.128 58.797 59.018 -0.155 0.000 2.250 198 C CB 0.321 27.749 27.740 -0.521 0.000 2.584 198 C HN 0.776 nan 8.230 nan 0.000 0.589 199 D N -0.681 119.833 120.400 0.190 0.000 2.738 199 D HA 0.125 4.752 4.640 -0.022 0.000 0.308 199 D C 0.125 176.581 176.300 0.261 0.000 1.311 199 D CA -0.694 53.467 54.000 0.269 0.000 0.799 199 D CB 0.094 40.996 40.800 0.170 0.000 1.332 199 D HN 0.566 nan 8.370 nan 0.000 0.441 200 E N -0.613 119.727 120.200 0.232 0.000 2.455 200 E HA -0.120 4.217 4.350 -0.022 0.000 0.202 200 E C 0.552 177.404 176.600 0.420 0.000 1.045 200 E CA 0.785 57.344 56.400 0.265 0.000 0.872 200 E CB -0.448 29.355 29.700 0.173 0.000 0.792 200 E HN 0.266 nan 8.360 nan 0.000 0.542 201 N N 0.532 119.425 118.700 0.323 0.000 2.280 201 N HA 0.009 4.736 4.740 -0.022 0.000 0.192 201 N C -0.379 175.084 175.510 -0.079 0.000 1.109 201 N CA 0.313 53.557 53.050 0.325 0.000 0.855 201 N CB 0.643 39.247 38.487 0.194 0.000 0.974 201 N HN 0.044 nan 8.380 nan 0.000 0.482 202 T N 2.099 116.657 114.554 0.006 0.000 2.769 202 T HA 0.123 4.460 4.350 -0.022 0.000 0.293 202 T C 1.911 176.459 174.700 -0.254 0.000 0.931 202 T CA -0.232 61.791 62.100 -0.127 0.000 1.139 202 T CB 0.499 69.356 68.868 -0.018 0.000 0.881 202 T HN 0.230 nan 8.240 nan 0.000 0.532 203 I N 0.835 121.121 120.570 -0.474 0.000 2.928 203 I HA 0.425 4.582 4.170 -0.022 0.000 0.266 203 I C 0.945 177.050 176.117 -0.020 0.000 1.234 203 I CA 0.038 61.126 61.300 -0.354 0.000 1.483 203 I CB -0.048 37.754 38.000 -0.331 0.000 1.097 203 I HN 0.655 nan 8.210 nan 0.000 0.455 204 G N 0.091 108.859 108.800 -0.054 0.000 2.325 204 G HA2 0.422 4.368 3.960 -0.022 0.000 0.297 204 G HA3 0.422 4.368 3.960 -0.022 0.000 0.297 204 G C -1.723 173.123 174.900 -0.089 0.000 1.448 204 G CA -0.504 44.579 45.100 -0.028 0.000 0.838 204 G HN -0.079 nan 8.290 nan 0.000 0.579 205 V N -0.225 119.631 119.914 -0.097 0.000 2.581 205 V HA 0.686 4.792 4.120 -0.022 0.000 0.303 205 V C -0.160 175.816 176.094 -0.196 0.000 1.041 205 V CA -0.698 61.518 62.300 -0.141 0.000 0.907 205 V CB 1.826 33.580 31.823 -0.114 0.000 0.994 205 V HN 0.735 nan 8.190 nan 0.000 0.442 206 V N 6.478 126.220 119.914 -0.287 0.000 2.325 206 V HA 0.365 4.472 4.120 -0.022 0.000 0.280 206 V C -2.528 173.399 176.094 -0.279 0.000 1.016 206 V CA -1.683 60.379 62.300 -0.397 0.000 0.818 206 V CB 1.535 32.828 31.823 -0.883 0.000 1.019 206 V HN 0.745 nan 8.190 nan 0.000 0.434 207 P HA 0.344 nan 4.420 nan 0.000 0.284 207 P C -0.260 176.986 177.300 -0.090 0.000 1.253 207 P CA -0.154 62.888 63.100 -0.097 0.000 0.800 207 P CB 0.747 32.412 31.700 -0.059 0.000 0.961 208 T N 3.353 117.887 114.554 -0.033 0.000 2.753 208 T HA 0.275 4.612 4.350 -0.022 0.000 0.297 208 T C -0.429 174.297 174.700 0.043 0.000 0.981 208 T CA 0.014 62.117 62.100 0.005 0.000 0.956 208 T CB -0.453 68.431 68.868 0.026 0.000 0.936 208 T HN 0.161 nan 8.240 nan 0.000 0.463 209 F N 3.736 123.575 119.950 -0.186 0.000 2.541 209 F HA 0.517 5.030 4.527 -0.022 0.000 0.351 209 F C 0.926 176.689 175.800 -0.063 0.000 1.209 209 F CA -0.608 57.226 58.000 -0.277 0.000 1.277 209 F CB -0.408 38.241 39.000 -0.584 0.000 1.632 209 F HN 0.800 nan 8.300 nan 0.000 0.619 210 G N 3.280 112.030 108.800 -0.084 0.000 2.551 210 G HA2 -0.019 3.928 3.960 -0.022 0.000 0.604 210 G HA3 -0.019 3.928 3.960 -0.022 0.000 0.604 210 G C -1.242 173.621 174.900 -0.062 0.000 1.116 210 G CA -0.788 44.239 45.100 -0.121 0.000 1.285 210 G HN 0.399 nan 8.290 nan 0.000 0.586 211 V N 2.247 122.128 119.914 -0.054 0.000 2.572 211 V HA 0.227 4.334 4.120 -0.022 0.000 0.291 211 V C 2.053 178.120 176.094 -0.045 0.000 1.039 211 V CA 1.010 63.303 62.300 -0.012 0.000 1.055 211 V CB 1.058 32.928 31.823 0.077 0.000 0.969 211 V HN 0.782 nan 8.190 nan 0.000 0.482 212 T N 4.034 118.455 114.554 -0.222 0.000 2.720 212 T HA -0.199 4.138 4.350 -0.022 0.000 0.268 212 T C 1.457 176.050 174.700 -0.178 0.000 1.037 212 T CA 2.170 64.110 62.100 -0.266 0.000 1.144 212 T CB -0.345 68.139 68.868 -0.641 0.000 0.864 212 T HN 0.727 nan 8.240 nan 0.000 0.444 213 Y N 1.679 122.050 120.300 0.118 0.000 2.293 213 Y HA -0.042 4.495 4.550 -0.022 0.000 0.291 213 Y C 2.896 178.952 175.900 0.261 0.000 1.137 213 Y CA 1.140 59.351 58.100 0.185 0.000 1.202 213 Y CB -0.828 37.730 38.460 0.164 0.000 0.990 213 Y HN 0.409 nan 8.280 nan 0.000 0.537 214 T N -6.437 108.268 114.554 0.252 0.000 2.964 214 T HA 0.487 4.824 4.350 -0.022 0.000 0.250 214 T C 1.773 176.516 174.700 0.071 0.000 0.982 214 T CA 0.498 62.691 62.100 0.154 0.000 0.959 214 T CB 0.370 69.323 68.868 0.142 0.000 1.141 214 T HN 0.369 nan 8.240 nan 0.000 0.494 215 G N 1.827 110.652 108.800 0.043 0.000 2.213 215 G HA2 -0.209 3.738 3.960 -0.022 0.000 0.236 215 G HA3 -0.209 3.738 3.960 -0.022 0.000 0.236 215 G C -0.062 174.723 174.900 -0.192 0.000 0.991 215 G CA -0.112 44.962 45.100 -0.044 0.000 0.629 215 G HN 0.629 nan 8.290 nan 0.000 0.517 216 N N 0.064 118.663 118.700 -0.168 0.000 2.515 216 N HA 0.487 5.214 4.740 -0.022 0.000 0.279 216 N C -0.490 174.803 175.510 -0.361 0.000 1.164 216 N CA -0.183 52.691 53.050 -0.293 0.000 0.982 216 N CB 0.433 38.806 38.487 -0.189 0.000 1.170 216 N HN 0.081 nan 8.380 nan 0.000 0.474 217 Y N 0.765 120.723 120.300 -0.570 0.000 2.319 217 Y HA 0.108 4.644 4.550 -0.023 0.000 0.328 217 Y C 0.875 176.349 175.900 -0.710 0.000 1.133 217 Y CA -0.282 57.319 58.100 -0.832 0.000 1.265 217 Y CB 0.353 37.991 38.460 -1.371 0.000 1.218 217 Y HN 0.296 nan 8.280 nan 0.000 0.508 218 E N 3.450 123.513 120.200 -0.228 0.000 2.194 218 E HA 0.202 4.538 4.350 -0.022 0.000 0.284 218 E C -1.268 175.277 176.600 -0.092 0.000 1.035 218 E CA -0.423 55.898 56.400 -0.132 0.000 0.836 218 E CB 0.575 30.290 29.700 0.026 0.000 1.070 218 E HN 0.324 nan 8.360 nan 0.000 0.401 219 F N 4.340 124.344 119.950 0.090 0.000 2.438 219 F HA 0.177 4.691 4.527 -0.022 0.000 0.360 219 F C -1.379 174.452 175.800 0.052 0.000 1.118 219 F CA -2.181 55.879 58.000 0.101 0.000 1.164 219 F CB 0.820 39.859 39.000 0.066 0.000 1.131 219 F HN 0.425 nan 8.300 nan 0.000 0.527 220 P HA -0.216 nan 4.420 nan 0.000 0.219 220 P C 1.616 178.977 177.300 0.102 0.000 1.146 220 P CA 1.156 64.296 63.100 0.066 0.000 0.808 220 P CB 0.160 31.833 31.700 -0.046 0.000 0.779 221 Q N -0.424 119.438 119.800 0.104 0.000 2.020 221 Q HA -0.125 4.201 4.340 -0.022 0.000 0.202 221 Q C -0.622 175.434 176.000 0.093 0.000 0.982 221 Q CA 2.340 58.177 55.803 0.055 0.000 0.838 221 Q CB -1.451 27.287 28.738 0.000 0.000 0.899 221 Q HN 0.227 nan 8.270 nan 0.000 0.423 222 P HA -0.132 nan 4.420 nan 0.000 0.218 222 P C 0.912 178.271 177.300 0.098 0.000 1.149 222 P CA 1.102 64.254 63.100 0.088 0.000 0.817 222 P CB -0.054 31.698 31.700 0.087 0.000 0.785 223 L N -1.569 119.719 121.223 0.109 0.000 2.093 223 L HA -0.195 4.131 4.340 -0.022 0.000 0.208 223 L C 2.760 179.668 176.870 0.064 0.000 1.085 223 L CA 1.371 56.254 54.840 0.071 0.000 0.755 223 L CB -1.202 40.892 42.059 0.058 0.000 0.904 223 L HN 0.143 nan 8.230 nan 0.000 0.435 224 H N 0.745 119.818 119.070 0.004 0.000 2.321 224 H HA -0.174 4.368 4.556 -0.022 0.000 0.300 224 H C 1.677 177.014 175.328 0.014 0.000 1.087 224 H CA 1.876 57.923 56.048 -0.001 0.000 1.319 224 H CB 0.114 29.866 29.762 -0.018 0.000 1.379 224 H HN 0.320 nan 8.280 nan 0.000 0.501 225 D N 0.487 121.012 120.400 0.208 0.000 2.123 225 D HA -0.124 4.502 4.640 -0.022 0.000 0.196 225 D C 2.201 178.548 176.300 0.079 0.000 0.992 225 D CA 1.306 55.388 54.000 0.137 0.000 0.833 225 D CB -0.451 40.406 40.800 0.094 0.000 0.954 225 D HN 0.471 nan 8.370 nan 0.000 0.455 226 A N 0.477 123.331 122.820 0.057 0.000 1.930 226 A HA -0.069 4.238 4.320 -0.022 0.000 0.217 226 A C 2.377 179.985 177.584 0.041 0.000 1.175 226 A CA 0.694 52.757 52.037 0.043 0.000 0.627 226 A CB -0.635 18.375 19.000 0.018 0.000 0.815 226 A HN 0.203 nan 8.150 nan 0.000 0.443 227 L N -0.554 120.660 121.223 -0.014 0.000 2.141 227 L HA -0.144 4.182 4.340 -0.022 0.000 0.209 227 L C 1.893 178.793 176.870 0.050 0.000 1.094 227 L CA 1.019 55.855 54.840 -0.007 0.000 0.763 227 L CB -0.555 41.437 42.059 -0.112 0.000 0.908 227 L HN 0.268 nan 8.230 nan 0.000 0.437 228 D N 0.323 120.724 120.400 0.001 0.000 2.097 228 D HA -0.195 4.432 4.640 -0.022 0.000 0.197 228 D C 2.115 178.458 176.300 0.072 0.000 0.984 228 D CA 1.101 55.120 54.000 0.032 0.000 0.826 228 D CB -0.064 40.770 40.800 0.058 0.000 0.973 228 D HN 0.168 nan 8.370 nan 0.000 0.460 229 K N -0.204 120.250 120.400 0.090 0.000 2.147 229 K HA -0.156 4.151 4.320 -0.022 0.000 0.205 229 K C 2.109 178.789 176.600 0.133 0.000 1.049 229 K CA 0.581 56.924 56.287 0.094 0.000 0.936 229 K CB -0.226 32.328 32.500 0.090 0.000 0.722 229 K HN 0.041 nan 8.250 nan 0.000 0.446 230 F N 2.082 122.030 119.950 -0.003 0.000 2.113 230 F HA -0.173 4.341 4.527 -0.022 0.000 0.297 230 F C 2.600 178.401 175.800 0.002 0.000 1.103 230 F CA 1.785 59.785 58.000 -0.000 0.000 1.248 230 F CB -0.380 38.618 39.000 -0.004 0.000 0.999 230 F HN 0.135 nan 8.300 nan 0.000 0.475 231 Q N 0.012 119.860 119.800 0.079 0.000 2.124 231 Q HA -0.181 4.146 4.340 -0.022 0.000 0.202 231 Q C 2.218 178.183 176.000 -0.058 0.000 0.977 231 Q CA 1.621 57.411 55.803 -0.020 0.000 0.850 231 Q CB -0.324 28.436 28.738 0.036 0.000 0.901 231 Q HN 0.468 nan 8.270 nan 0.000 0.429 232 A N 0.705 123.511 122.820 -0.023 0.000 1.898 232 A HA -0.183 4.124 4.320 -0.022 0.000 0.216 232 A C 1.635 179.184 177.584 -0.059 0.000 1.181 232 A CA 1.720 53.742 52.037 -0.026 0.000 0.620 232 A CB -0.457 18.544 19.000 0.001 0.000 0.819 232 A HN 0.428 nan 8.150 nan 0.000 0.442 233 D N -1.201 119.148 120.400 -0.085 0.000 2.234 233 D HA -0.044 4.582 4.640 -0.022 0.000 0.205 233 D C 1.795 177.988 176.300 -0.179 0.000 0.962 233 D CA 1.917 55.852 54.000 -0.107 0.000 0.855 233 D CB 0.055 40.809 40.800 -0.078 0.000 0.951 233 D HN 0.635 nan 8.370 nan 0.000 0.500 234 T N -5.625 108.759 114.554 -0.283 0.000 3.080 234 T HA 0.367 4.703 4.350 -0.022 0.000 0.280 234 T C 1.610 176.175 174.700 -0.225 0.000 0.926 234 T CA 0.650 62.558 62.100 -0.319 0.000 0.883 234 T CB 0.948 69.441 68.868 -0.624 0.000 1.194 234 T HN 0.098 nan 8.240 nan 0.000 0.541 235 G N 2.088 110.784 108.800 -0.174 0.000 2.212 235 G HA2 -0.227 3.720 3.960 -0.022 0.000 0.266 235 G HA3 -0.227 3.720 3.960 -0.022 0.000 0.266 235 G C 0.081 174.935 174.900 -0.077 0.000 0.978 235 G CA 0.227 45.268 45.100 -0.098 0.000 0.632 235 G HN 0.707 nan 8.290 nan 0.000 0.537 236 I N 1.641 122.131 120.570 -0.132 0.000 2.452 236 I HA 0.262 4.419 4.170 -0.022 0.000 0.287 236 I C -0.239 175.933 176.117 0.092 0.000 1.079 236 I CA -0.229 61.064 61.300 -0.013 0.000 1.387 236 I CB 0.992 38.988 38.000 -0.007 0.000 1.404 236 I HN 0.027 nan 8.210 nan 0.000 0.522 237 D N 8.776 129.243 120.400 0.112 0.000 2.460 237 D HA 0.453 5.080 4.640 -0.022 0.000 0.232 237 D C -0.647 175.736 176.300 0.139 0.000 1.079 237 D CA -0.269 53.797 54.000 0.109 0.000 0.864 237 D CB 0.663 41.506 40.800 0.071 0.000 1.048 237 D HN 0.294 nan 8.370 nan 0.000 0.523 238 I N 2.812 123.463 120.570 0.135 0.000 2.474 238 I HA 0.301 4.457 4.170 -0.022 0.000 0.294 238 I C 0.222 176.369 176.117 0.049 0.000 1.005 238 I CA -0.888 60.481 61.300 0.115 0.000 1.113 238 I CB 1.827 39.891 38.000 0.105 0.000 1.289 238 I HN 0.163 nan 8.210 nan 0.000 0.436 239 D N 5.616 126.056 120.400 0.067 0.000 2.440 239 D HA 0.635 5.262 4.640 -0.022 0.000 0.258 239 D C -0.459 175.855 176.300 0.024 0.000 1.092 239 D CA -0.364 53.669 54.000 0.054 0.000 1.016 239 D CB 1.740 42.607 40.800 0.112 0.000 1.141 239 D HN 0.287 nan 8.370 nan 0.000 0.552 240 M N -0.154 119.461 119.600 0.025 0.000 2.602 240 M HA 0.302 4.769 4.480 -0.022 0.000 0.312 240 M C -1.006 175.305 176.300 0.019 0.000 1.181 240 M CA -0.710 54.582 55.300 -0.014 0.000 0.910 240 M CB 2.627 35.201 32.600 -0.043 0.000 1.723 240 M HN 0.334 nan 8.290 nan 0.000 0.459 241 H N 1.873 120.866 119.070 -0.129 0.000 2.658 241 H HA 0.504 5.046 4.556 -0.022 0.000 0.337 241 H C -1.616 173.595 175.328 -0.196 0.000 1.009 241 H CA -0.655 55.311 56.048 -0.136 0.000 1.231 241 H CB 1.030 30.732 29.762 -0.100 0.000 1.508 241 H HN 0.482 nan 8.280 nan 0.000 0.517 242 I N 4.165 124.343 120.570 -0.654 0.000 2.325 242 I HA 0.093 4.250 4.170 -0.022 0.000 0.291 242 I C 0.233 176.071 176.117 -0.465 0.000 1.019 242 I CA -0.367 60.652 61.300 -0.469 0.000 1.302 242 I CB 0.834 38.579 38.000 -0.424 0.000 1.401 242 I HN 0.730 nan 8.210 nan 0.000 0.485 243 D N 6.579 126.899 120.400 -0.133 0.000 2.411 243 D HA 0.377 5.003 4.640 -0.022 0.000 0.225 243 D C 0.196 176.500 176.300 0.006 0.000 1.156 243 D CA -0.256 53.797 54.000 0.089 0.000 0.874 243 D CB 1.049 42.044 40.800 0.325 0.000 1.034 243 D HN 0.614 nan 8.370 nan 0.000 0.502 244 A N 3.518 126.301 122.820 -0.061 0.000 2.827 244 A HA 0.536 4.843 4.320 -0.022 0.000 0.300 244 A C 1.671 179.283 177.584 0.047 0.000 1.237 244 A CA 0.267 52.254 52.037 -0.083 0.000 0.964 244 A CB -0.022 18.775 19.000 -0.339 0.000 1.143 244 A HN 0.563 nan 8.150 nan 0.000 0.554 245 A N 0.766 123.639 122.820 0.089 0.000 1.915 245 A HA -0.241 4.066 4.320 -0.022 0.000 0.220 245 A C 2.467 180.181 177.584 0.217 0.000 1.198 245 A CA 2.876 54.992 52.037 0.131 0.000 0.647 245 A CB -0.657 18.361 19.000 0.029 0.000 0.825 245 A HN 1.200 nan 8.150 nan 0.000 0.456 246 S N -2.042 113.763 115.700 0.175 0.000 2.510 246 S HA 0.251 4.708 4.470 -0.022 0.000 0.230 246 S C 2.097 176.829 174.600 0.220 0.000 1.066 246 S CA 0.932 59.330 58.200 0.329 0.000 0.941 246 S CB -0.998 62.387 63.200 0.308 0.000 0.829 246 S HN 0.744 nan 8.310 nan 0.000 0.530 247 G N 1.512 110.333 108.800 0.036 0.000 2.448 247 G HA2 0.087 4.033 3.960 -0.022 0.000 0.219 247 G HA3 0.087 4.033 3.960 -0.022 0.000 0.219 247 G C 1.368 176.204 174.900 -0.106 0.000 1.127 247 G CA 0.628 45.661 45.100 -0.113 0.000 0.766 247 G HN 0.665 nan 8.290 nan 0.000 0.552 248 G N -0.200 108.554 108.800 -0.076 0.000 2.559 248 G HA2 0.009 3.956 3.960 -0.022 0.000 0.216 248 G HA3 0.009 3.956 3.960 -0.022 0.000 0.216 248 G C 0.884 175.816 174.900 0.054 0.000 1.126 248 G CA 0.125 45.179 45.100 -0.077 0.000 0.778 248 G HN 0.382 nan 8.290 nan 0.000 0.543 249 F N -0.413 119.784 119.950 0.412 0.000 2.668 249 F HA 0.481 4.996 4.527 -0.020 0.000 0.301 249 F C 1.509 177.631 175.800 0.537 0.000 1.106 249 F CA -0.300 57.998 58.000 0.498 0.000 1.289 249 F CB 0.468 39.819 39.000 0.584 0.000 1.006 249 F HN -0.008 nan 8.300 nan 0.000 0.535 250 L N -1.106 120.356 121.223 0.398 0.000 2.670 250 L HA 0.287 4.613 4.340 -0.022 0.000 0.177 250 L C 2.513 179.574 176.870 0.318 0.000 1.181 250 L CA 0.814 55.879 54.840 0.375 0.000 0.856 250 L CB -0.949 41.211 42.059 0.168 0.000 1.205 250 L HN 0.005 nan 8.230 nan 0.000 0.506 251 A N 0.861 123.785 122.820 0.172 0.000 1.948 251 A HA -0.122 4.185 4.320 -0.022 0.000 0.220 251 A C -0.457 177.226 177.584 0.165 0.000 1.177 251 A CA 1.950 54.081 52.037 0.157 0.000 0.636 251 A CB -1.890 17.126 19.000 0.027 0.000 0.815 251 A HN 0.284 nan 8.150 nan 0.000 0.449 252 P HA -0.063 nan 4.420 nan 0.000 0.225 252 P C 0.593 177.745 177.300 -0.248 0.000 1.148 252 P CA 0.880 63.917 63.100 -0.105 0.000 0.779 252 P CB -0.072 31.431 31.700 -0.329 0.000 0.780 253 F N -1.364 118.701 119.950 0.192 0.000 2.343 253 F HA 0.029 4.544 4.527 -0.021 0.000 0.286 253 F C 2.082 177.971 175.800 0.148 0.000 1.057 253 F CA 0.565 58.665 58.000 0.167 0.000 1.365 253 F CB -1.317 37.813 39.000 0.217 0.000 1.114 253 F HN -0.271 nan 8.300 nan 0.000 0.545 254 V N -2.490 117.617 119.914 0.322 0.000 3.650 254 V HA 0.636 4.743 4.120 -0.022 0.000 0.271 254 V C 0.563 176.718 176.094 0.101 0.000 1.281 254 V CA 0.543 62.952 62.300 0.182 0.000 1.120 254 V CB -0.382 31.512 31.823 0.117 0.000 0.856 254 V HN 0.181 nan 8.190 nan 0.000 0.443 255 A N 0.382 123.281 122.820 0.131 0.000 3.399 255 A HA 0.672 4.979 4.320 -0.022 0.000 0.262 255 A C -2.073 175.601 177.584 0.150 0.000 1.145 255 A CA -0.417 51.690 52.037 0.117 0.000 0.916 255 A CB 0.478 19.547 19.000 0.116 0.000 1.360 255 A HN 0.289 nan 8.150 nan 0.000 0.628 256 P HA -0.117 nan 4.420 nan 0.000 0.226 256 P C 0.992 178.351 177.300 0.098 0.000 1.153 256 P CA 1.365 64.544 63.100 0.130 0.000 0.777 256 P CB 0.150 31.912 31.700 0.103 0.000 0.794 257 D N -0.439 120.008 120.400 0.079 0.000 2.312 257 D HA -0.082 4.544 4.640 -0.022 0.000 0.211 257 D C 0.700 177.039 176.300 0.065 0.000 0.964 257 D CA 0.323 54.349 54.000 0.043 0.000 0.877 257 D CB -0.371 40.446 40.800 0.028 0.000 0.924 257 D HN 0.216 nan 8.370 nan 0.000 0.515 258 I N 2.135 122.794 120.570 0.149 0.000 2.494 258 I HA -0.019 4.138 4.170 -0.022 0.000 0.289 258 I C -0.080 176.163 176.117 0.209 0.000 1.106 258 I CA -0.321 61.112 61.300 0.222 0.000 1.369 258 I CB 1.267 39.479 38.000 0.352 0.000 1.410 258 I HN -0.240 nan 8.210 nan 0.000 0.523 259 V N 8.105 128.057 119.914 0.063 0.000 2.339 259 V HA 0.101 4.208 4.120 -0.022 0.000 0.261 259 V C 0.516 176.547 176.094 -0.105 0.000 1.058 259 V CA -0.154 62.084 62.300 -0.105 0.000 0.897 259 V CB -0.006 31.729 31.823 -0.146 0.000 1.052 259 V HN 0.933 nan 8.190 nan 0.000 0.480 260 W N 3.634 124.704 121.300 -0.383 0.000 2.324 260 W HA 0.316 4.963 4.660 -0.023 0.000 0.316 260 W C -0.217 175.916 176.519 -0.644 0.000 0.927 260 W CA 0.020 57.010 57.345 -0.591 0.000 1.438 260 W CB 0.035 28.810 29.460 -1.141 0.000 1.085 260 W HN 0.628 nan 8.180 nan 0.000 0.532 261 D N 0.394 120.066 120.400 -1.213 0.000 2.707 261 D HA 0.240 4.867 4.640 -0.022 0.000 0.223 261 D C 0.623 176.431 176.300 -0.820 0.000 1.208 261 D CA -0.738 52.360 54.000 -1.503 0.000 1.081 261 D CB -0.475 39.096 40.800 -2.050 0.000 1.216 261 D HN -0.241 nan 8.370 nan 0.000 0.633 262 F N -0.190 119.484 119.950 -0.459 0.000 2.722 262 F HA 0.162 4.676 4.527 -0.023 0.000 0.298 262 F C 2.225 177.897 175.800 -0.213 0.000 1.175 262 F CA 0.295 58.148 58.000 -0.245 0.000 1.462 262 F CB -0.473 38.452 39.000 -0.124 0.000 1.111 262 F HN 0.010 nan 8.300 nan 0.000 0.592 263 R N -0.062 120.336 120.500 -0.171 0.000 2.237 263 R HA 0.007 4.334 4.340 -0.022 0.000 0.219 263 R C 0.351 176.526 176.300 -0.208 0.000 1.080 263 R CA 0.438 56.414 56.100 -0.207 0.000 0.995 263 R CB -0.183 29.915 30.300 -0.338 0.000 0.875 263 R HN 0.236 nan 8.270 nan 0.000 0.462 264 L N 2.434 123.511 121.223 -0.244 0.000 2.278 264 L HA 0.175 4.502 4.340 -0.022 0.000 0.287 264 L C -1.431 175.408 176.870 -0.053 0.000 1.072 264 L CA -1.902 52.751 54.840 -0.310 0.000 0.819 264 L CB 1.249 43.089 42.059 -0.365 0.000 1.176 264 L HN -0.119 nan 8.230 nan 0.000 0.435 265 P HA -0.149 nan 4.420 nan 0.000 0.218 265 P C 1.180 178.619 177.300 0.231 0.000 1.148 265 P CA 1.298 64.492 63.100 0.157 0.000 0.822 265 P CB 0.169 31.957 31.700 0.148 0.000 0.784 266 R N -0.568 120.166 120.500 0.390 0.000 2.236 266 R HA 0.065 4.391 4.340 -0.022 0.000 0.208 266 R C 0.446 176.826 176.300 0.133 0.000 1.036 266 R CA 0.120 56.313 56.100 0.154 0.000 1.001 266 R CB -0.401 29.842 30.300 -0.096 0.000 0.896 266 R HN 0.051 nan 8.270 nan 0.000 0.464 267 V N 2.354 122.348 119.914 0.133 0.000 2.409 267 V HA -0.040 4.067 4.120 -0.022 0.000 0.270 267 V C 0.798 177.003 176.094 0.185 0.000 1.019 267 V CA 0.737 63.056 62.300 0.033 0.000 1.066 267 V CB 0.964 32.677 31.823 -0.184 0.000 1.021 267 V HN 0.092 nan 8.190 nan 0.000 0.476 268 K N 2.570 123.091 120.400 0.201 0.000 2.334 268 K HA 0.168 4.475 4.320 -0.022 0.000 0.195 268 K C 0.646 177.517 176.600 0.451 0.000 1.045 268 K CA 0.413 56.898 56.287 0.330 0.000 1.004 268 K CB 0.498 33.170 32.500 0.287 0.000 0.837 268 K HN 0.832 nan 8.250 nan 0.000 0.510 269 S N -1.086 114.781 115.700 0.279 0.000 2.625 269 S HA 0.678 5.135 4.470 -0.022 0.000 0.271 269 S C -0.832 173.574 174.600 -0.323 0.000 1.161 269 S CA -1.049 57.215 58.200 0.106 0.000 0.820 269 S CB 1.695 64.846 63.200 -0.081 0.000 1.137 269 S HN -0.043 nan 8.310 nan 0.000 0.470 270 I N 1.273 121.591 120.570 -0.421 0.000 2.775 270 I HA 0.574 4.731 4.170 -0.022 0.000 0.295 270 I C -0.952 174.962 176.117 -0.337 0.000 1.287 270 I CA -0.564 60.287 61.300 -0.750 0.000 1.029 270 I CB 2.688 40.067 38.000 -1.036 0.000 1.282 270 I HN 0.967 nan 8.210 nan 0.000 0.426 271 S N 3.354 118.885 115.700 -0.282 0.000 2.569 271 S HA 0.992 5.449 4.470 -0.022 0.000 0.280 271 S C -0.857 173.834 174.600 0.150 0.000 1.111 271 S CA -0.696 57.584 58.200 0.132 0.000 0.887 271 S CB 2.677 66.048 63.200 0.285 0.000 1.095 271 S HN 0.960 nan 8.310 nan 0.000 0.476 272 A N 0.988 124.049 122.820 0.402 0.000 2.609 272 A HA 0.848 5.154 4.320 -0.022 0.000 0.291 272 A C -0.743 177.106 177.584 0.443 0.000 1.096 272 A CA -0.872 51.440 52.037 0.459 0.000 0.684 272 A CB 1.297 20.728 19.000 0.717 0.000 1.282 272 A HN 0.853 nan 8.150 nan 0.000 0.412 273 S N 0.194 116.122 115.700 0.380 0.000 2.438 273 S HA 0.450 4.907 4.470 -0.022 0.000 0.293 273 S C 1.337 176.093 174.600 0.261 0.000 1.141 273 S CA 0.088 58.377 58.200 0.147 0.000 1.080 273 S CB 1.385 64.639 63.200 0.091 0.000 0.978 273 S HN 1.230 nan 8.310 nan 0.000 0.479 274 G N 1.814 110.666 108.800 0.086 0.000 2.422 274 G HA2 -0.168 3.779 3.960 -0.022 0.000 0.218 274 G HA3 -0.168 3.779 3.960 -0.022 0.000 0.218 274 G C 0.974 175.871 174.900 -0.005 0.000 1.140 274 G CA 0.321 45.468 45.100 0.078 0.000 0.775 274 G HN 0.938 nan 8.290 nan 0.000 0.545 275 H N -0.590 118.509 119.070 0.048 0.000 2.543 275 H HA 0.365 4.907 4.556 -0.023 0.000 0.269 275 H C 1.294 176.634 175.328 0.019 0.000 1.005 275 H CA 0.095 56.150 56.048 0.012 0.000 1.146 275 H CB 0.304 30.054 29.762 -0.019 0.000 1.353 275 H HN 0.255 nan 8.280 nan 0.000 0.595 276 K N 0.538 121.081 120.400 0.239 0.000 4.310 276 K HA 0.179 4.485 4.320 -0.022 0.000 0.185 276 K C 0.651 177.259 176.600 0.013 0.000 1.134 276 K CA -0.479 55.883 56.287 0.124 0.000 1.860 276 K CB 0.040 32.691 32.500 0.252 0.000 2.614 276 K HN -0.017 nan 8.250 nan 0.000 0.570 277 F N 1.489 121.613 119.950 0.290 0.000 2.771 277 F HA 0.033 4.548 4.527 -0.021 0.000 0.299 277 F C 1.817 177.800 175.800 0.306 0.000 1.177 277 F CA 0.538 58.724 58.000 0.310 0.000 1.450 277 F CB -0.300 38.919 39.000 0.364 0.000 1.114 277 F HN 0.464 nan 8.300 nan 0.000 0.587 278 G N -0.631 108.248 108.800 0.132 0.000 2.813 278 G HA2 0.042 3.989 3.960 -0.022 0.000 0.209 278 G HA3 0.042 3.989 3.960 -0.022 0.000 0.209 278 G C 1.192 176.122 174.900 0.049 0.000 1.150 278 G CA 0.294 45.170 45.100 -0.374 0.000 0.785 278 G HN 0.464 nan 8.290 nan 0.000 0.535 279 L N -2.267 119.013 121.223 0.095 0.000 5.081 279 L HA -0.217 4.110 4.340 -0.022 0.000 0.423 279 L C 1.499 178.409 176.870 0.067 0.000 1.019 279 L CA -0.014 54.873 54.840 0.079 0.000 1.223 279 L CB -2.286 39.804 42.059 0.053 0.000 1.940 279 L HN 0.374 nan 8.230 nan 0.000 0.675 280 A N 0.670 123.517 122.820 0.044 0.000 2.386 280 A HA 0.578 4.885 4.320 -0.022 0.000 0.246 280 A C -1.718 175.904 177.584 0.063 0.000 1.089 280 A CA -0.464 51.599 52.037 0.042 0.000 0.790 280 A CB -0.108 18.906 19.000 0.024 0.000 1.042 280 A HN 0.128 nan 8.150 nan 0.000 0.497 281 P HA 0.247 nan 4.420 nan 0.000 0.276 281 P C -0.331 177.001 177.300 0.054 0.000 1.244 281 P CA -0.383 62.724 63.100 0.011 0.000 0.801 281 P CB 0.345 32.011 31.700 -0.057 0.000 1.006 282 L N 0.865 122.092 121.223 0.008 0.000 2.693 282 L HA -0.014 4.313 4.340 -0.022 0.000 0.292 282 L C 1.550 178.466 176.870 0.076 0.000 1.243 282 L CA 1.607 56.420 54.840 -0.045 0.000 0.903 282 L CB -1.264 40.699 42.059 -0.160 0.000 1.160 282 L HN 0.924 nan 8.230 nan 0.000 0.496 283 G N 2.159 111.162 108.800 0.337 0.000 2.173 283 G HA2 -0.189 3.758 3.960 -0.022 0.000 0.174 283 G HA3 -0.189 3.758 3.960 -0.022 0.000 0.174 283 G C -0.438 174.425 174.900 -0.062 0.000 1.025 283 G CA -0.311 44.850 45.100 0.102 0.000 0.706 283 G HN 0.774 nan 8.290 nan 0.000 0.499 284 C N 0.742 119.955 119.300 -0.145 0.000 2.599 284 C HA 0.853 5.300 4.460 -0.022 0.000 0.354 284 C C 0.698 175.290 174.990 -0.662 0.000 1.092 284 C CA 0.594 59.352 59.018 -0.434 0.000 1.280 284 C CB 0.444 28.020 27.740 -0.272 0.000 1.829 284 C HN 1.361 nan 8.230 nan 0.000 0.454 285 G N 3.235 111.611 108.800 -0.707 0.000 2.714 285 G HA2 0.830 4.776 3.960 -0.022 0.000 0.292 285 G HA3 0.830 4.776 3.960 -0.022 0.000 0.292 285 G C -2.000 172.403 174.900 -0.829 0.000 1.308 285 G CA -0.600 44.167 45.100 -0.554 0.000 0.964 285 G HN 0.730 nan 8.290 nan 0.000 0.484 286 W N -0.650 120.739 121.300 0.149 0.000 3.129 286 W HA 0.550 5.196 4.660 -0.024 0.000 0.333 286 W C -0.890 175.762 176.519 0.222 0.000 1.141 286 W CA -0.865 56.602 57.345 0.204 0.000 1.224 286 W CB 2.473 32.104 29.460 0.285 0.000 1.393 286 W HN 0.395 nan 8.180 nan 0.000 0.499 287 V N 5.939 126.075 119.914 0.371 0.000 2.577 287 V HA 0.624 4.731 4.120 -0.022 0.000 0.303 287 V C -1.099 175.060 176.094 0.108 0.000 1.042 287 V CA -0.871 61.533 62.300 0.173 0.000 0.872 287 V CB 1.123 32.880 31.823 -0.110 0.000 0.998 287 V HN 0.409 nan 8.190 nan 0.000 0.423 288 I N 6.289 126.964 120.570 0.175 0.000 2.441 288 I HA 0.475 4.632 4.170 -0.022 0.000 0.295 288 I C -0.222 175.919 176.117 0.040 0.000 0.994 288 I CA -0.604 60.837 61.300 0.233 0.000 1.144 288 I CB 1.737 40.053 38.000 0.526 0.000 1.314 288 I HN 0.595 nan 8.210 nan 0.000 0.445 289 W N 4.589 126.073 121.300 0.308 0.000 2.448 289 W HA 0.359 5.006 4.660 -0.023 0.000 0.339 289 W C 1.495 177.901 176.519 -0.189 0.000 1.124 289 W CA -0.592 56.865 57.345 0.186 0.000 1.262 289 W CB 1.444 30.997 29.460 0.156 0.000 1.251 289 W HN 0.668 nan 8.180 nan 0.000 0.597 290 R N 0.638 121.095 120.500 -0.072 0.000 2.092 290 R HA -0.153 4.173 4.340 -0.022 0.000 0.231 290 R C -0.354 175.811 176.300 -0.225 0.000 1.119 290 R CA 2.106 57.912 56.100 -0.490 0.000 0.970 290 R CB 0.037 30.275 30.300 -0.104 0.000 0.864 290 R HN 0.643 nan 8.270 nan 0.000 0.440 291 D N -3.171 117.223 120.400 -0.009 0.000 2.764 291 D HA 0.004 4.631 4.640 -0.022 0.000 0.293 291 D C -0.071 176.257 176.300 0.047 0.000 1.287 291 D CA -0.692 53.311 54.000 0.004 0.000 0.768 291 D CB 0.163 40.953 40.800 -0.017 0.000 1.288 291 D HN -0.208 nan 8.370 nan 0.000 0.426 292 E N 0.155 120.364 120.200 0.016 0.000 2.171 292 E HA -0.213 4.123 4.350 -0.022 0.000 0.197 292 E C 1.186 177.775 176.600 -0.019 0.000 0.997 292 E CA 1.419 57.812 56.400 -0.012 0.000 0.810 292 E CB -0.017 29.671 29.700 -0.020 0.000 0.738 292 E HN 0.625 nan 8.360 nan 0.000 0.467 293 E N 0.251 120.456 120.200 0.008 0.000 2.204 293 E HA -0.067 4.270 4.350 -0.022 0.000 0.194 293 E C 1.846 178.471 176.600 0.042 0.000 0.989 293 E CA 0.734 57.144 56.400 0.017 0.000 0.824 293 E CB -0.003 29.714 29.700 0.028 0.000 0.756 293 E HN 0.215 nan 8.360 nan 0.000 0.477 294 A N 0.458 123.328 122.820 0.083 0.000 2.119 294 A HA -0.023 4.283 4.320 -0.022 0.000 0.217 294 A C 0.891 178.510 177.584 0.058 0.000 1.153 294 A CA 0.383 52.525 52.037 0.176 0.000 0.692 294 A CB 0.077 19.274 19.000 0.328 0.000 0.799 294 A HN 0.166 nan 8.150 nan 0.000 0.458 295 L N 0.750 121.870 121.223 -0.172 0.000 2.324 295 L HA 0.509 4.836 4.340 -0.022 0.000 0.274 295 L C -2.882 173.784 176.870 -0.340 0.000 1.012 295 L CA -2.546 51.995 54.840 -0.499 0.000 0.859 295 L CB 1.341 42.900 42.059 -0.833 0.000 1.224 295 L HN -0.171 nan 8.230 nan 0.000 0.429 296 P HA 0.068 nan 4.420 nan 0.000 0.263 296 P C 0.114 177.228 177.300 -0.310 0.000 1.195 296 P CA 0.003 62.986 63.100 -0.194 0.000 0.762 296 P CB 0.587 32.236 31.700 -0.084 0.000 0.799 297 Q N 2.259 121.931 119.800 -0.214 0.000 2.291 297 Q HA -0.178 4.149 4.340 -0.022 0.000 0.206 297 Q C 1.202 177.035 176.000 -0.278 0.000 0.976 297 Q CA 1.542 57.206 55.803 -0.231 0.000 0.875 297 Q CB -0.197 28.453 28.738 -0.148 0.000 0.927 297 Q HN 0.522 nan 8.270 nan 0.000 0.450 298 E N -0.049 120.010 120.200 -0.236 0.000 2.265 298 E HA -0.106 4.231 4.350 -0.022 0.000 0.196 298 E C 1.581 177.917 176.600 -0.441 0.000 0.996 298 E CA 0.605 56.863 56.400 -0.237 0.000 0.832 298 E CB -0.098 29.601 29.700 -0.002 0.000 0.756 298 E HN 0.318 nan 8.360 nan 0.000 0.491 299 L N -0.296 120.552 121.223 -0.625 0.000 2.529 299 L HA 0.119 4.445 4.340 -0.022 0.000 0.223 299 L C 0.122 176.648 176.870 -0.573 0.000 1.113 299 L CA -0.195 54.169 54.840 -0.794 0.000 0.861 299 L CB 0.453 41.627 42.059 -1.475 0.000 1.012 299 L HN -0.091 nan 8.230 nan 0.000 0.461 300 V N 0.593 120.216 119.914 -0.484 0.000 2.461 300 V HA 0.153 4.260 4.120 -0.022 0.000 0.275 300 V C -0.324 175.653 176.094 -0.194 0.000 1.047 300 V CA -0.198 61.973 62.300 -0.215 0.000 0.955 300 V CB 0.838 32.539 31.823 -0.202 0.000 0.988 300 V HN -0.066 nan 8.190 nan 0.000 0.471 301 F N 3.488 123.449 119.950 0.019 0.000 2.427 301 F HA 0.461 4.975 4.527 -0.022 0.000 0.346 301 F C 0.681 176.516 175.800 0.060 0.000 1.120 301 F CA -0.685 57.342 58.000 0.044 0.000 1.033 301 F CB 1.153 40.200 39.000 0.079 0.000 1.126 301 F HN 0.405 nan 8.300 nan 0.000 0.462 302 N N 3.168 121.964 118.700 0.161 0.000 2.422 302 N HA 0.417 5.144 4.740 -0.022 0.000 0.266 302 N C -0.928 174.680 175.510 0.165 0.000 1.007 302 N CA -0.190 52.936 53.050 0.128 0.000 0.941 302 N CB 1.998 40.521 38.487 0.060 0.000 1.115 302 N HN 0.402 nan 8.380 nan 0.000 0.492 303 V N -0.664 119.352 119.914 0.170 0.000 2.667 303 V HA 0.513 4.620 4.120 -0.022 0.000 0.308 303 V C 0.001 176.203 176.094 0.179 0.000 1.048 303 V CA -1.048 61.355 62.300 0.172 0.000 0.928 303 V CB 2.087 34.031 31.823 0.202 0.000 1.004 303 V HN 0.332 nan 8.190 nan 0.000 0.444 304 D N 2.753 123.249 120.400 0.161 0.000 2.341 304 D HA 0.466 5.093 4.640 -0.022 0.000 0.245 304 D C -0.543 175.908 176.300 0.252 0.000 1.106 304 D CA 0.623 54.723 54.000 0.167 0.000 0.905 304 D CB 1.408 42.261 40.800 0.088 0.000 1.202 304 D HN 0.850 nan 8.370 nan 0.000 0.426 305 Y N -1.795 118.516 120.300 0.017 0.000 2.677 305 Y HA 0.340 4.876 4.550 -0.022 0.000 0.334 305 Y C 0.536 176.435 175.900 -0.001 0.000 1.154 305 Y CA -1.044 57.059 58.100 0.006 0.000 1.070 305 Y CB 0.082 38.538 38.460 -0.006 0.000 1.294 305 Y HN 0.150 nan 8.280 nan 0.000 0.475 306 L N 1.246 122.332 121.223 -0.229 0.000 2.129 306 L HA -0.037 4.289 4.340 -0.022 0.000 0.212 306 L C 1.970 178.522 176.870 -0.530 0.000 1.087 306 L CA 1.938 56.601 54.840 -0.295 0.000 0.757 306 L CB -0.534 41.446 42.059 -0.132 0.000 0.896 306 L HN 1.035 nan 8.230 nan 0.000 0.434 307 G N -1.217 106.910 108.800 -1.122 0.000 3.440 307 G HA2 0.452 4.399 3.960 -0.022 0.000 0.263 307 G HA3 0.452 4.399 3.960 -0.022 0.000 0.263 307 G C 0.655 175.116 174.900 -0.731 0.000 1.236 307 G CA 0.459 45.058 45.100 -0.835 0.000 0.927 307 G HN 0.540 nan 8.290 nan 0.000 0.530 308 G N -0.199 108.222 108.800 -0.633 0.000 2.456 308 G HA2 0.058 4.004 3.960 -0.022 0.000 0.204 308 G HA3 0.058 4.004 3.960 -0.022 0.000 0.204 308 G C -0.539 174.336 174.900 -0.041 0.000 1.193 308 G CA -0.114 44.851 45.100 -0.225 0.000 1.220 308 G HN 1.095 nan 8.290 nan 0.000 0.565 309 Q N -0.524 119.377 119.800 0.169 0.000 2.379 309 Q HA 0.784 5.111 4.340 -0.022 0.000 0.278 309 Q C -1.479 174.678 176.000 0.262 0.000 1.068 309 Q CA -1.033 54.937 55.803 0.279 0.000 0.816 309 Q CB 2.575 31.400 28.738 0.146 0.000 1.387 309 Q HN 0.735 nan 8.270 nan 0.000 0.413 310 I N 1.007 121.680 120.570 0.172 0.000 2.509 310 I HA 0.496 4.653 4.170 -0.022 0.000 0.293 310 I C 0.143 176.287 176.117 0.045 0.000 1.020 310 I CA -1.006 60.319 61.300 0.042 0.000 1.088 310 I CB 2.292 40.215 38.000 -0.129 0.000 1.267 310 I HN 0.862 nan 8.210 nan 0.000 0.430 311 G N 3.085 111.914 108.800 0.048 0.000 2.370 311 G HA2 0.536 4.483 3.960 -0.022 0.000 0.272 311 G HA3 0.536 4.483 3.960 -0.022 0.000 0.272 311 G C -0.334 174.626 174.900 0.100 0.000 1.208 311 G CA -0.140 45.005 45.100 0.074 0.000 0.856 311 G HN 0.590 nan 8.290 nan 0.000 0.500 312 T N -0.642 114.019 114.554 0.179 0.000 2.848 312 T HA 0.563 4.899 4.350 -0.022 0.000 0.285 312 T C -1.199 173.734 174.700 0.388 0.000 0.995 312 T CA -0.806 61.442 62.100 0.246 0.000 0.970 312 T CB 1.825 70.830 68.868 0.229 0.000 0.976 312 T HN 0.310 nan 8.240 nan 0.000 0.441 313 F N 3.113 123.175 119.950 0.185 0.000 2.359 313 F HA 0.767 5.281 4.527 -0.022 0.000 0.369 313 F C -0.537 175.405 175.800 0.237 0.000 1.084 313 F CA -1.799 56.304 58.000 0.171 0.000 1.096 313 F CB 0.041 39.062 39.000 0.034 0.000 1.335 313 F HN 1.068 nan 8.300 nan 0.000 0.457 314 A N 5.799 128.775 122.820 0.260 0.000 2.572 314 A HA 0.650 4.956 4.320 -0.022 0.000 0.295 314 A C -0.203 177.442 177.584 0.102 0.000 1.072 314 A CA -0.541 51.575 52.037 0.131 0.000 0.691 314 A CB 1.058 20.241 19.000 0.304 0.000 1.291 314 A HN 0.638 nan 8.150 nan 0.000 0.404 315 I N 0.377 120.970 120.570 0.038 0.000 2.628 315 I HA 0.010 4.166 4.170 -0.022 0.000 0.255 315 I C 0.759 176.928 176.117 0.086 0.000 1.119 315 I CA 0.221 61.563 61.300 0.071 0.000 1.448 315 I CB 0.026 38.066 38.000 0.067 0.000 1.133 315 I HN 0.596 nan 8.210 nan 0.000 0.438 316 N N 0.028 118.768 118.700 0.067 0.000 2.381 316 N HA 0.145 4.872 4.740 -0.022 0.000 0.254 316 N C -0.046 175.625 175.510 0.269 0.000 1.264 316 N CA 0.111 53.217 53.050 0.093 0.000 0.942 316 N CB 1.482 39.953 38.487 -0.027 0.000 1.190 316 N HN -0.026 nan 8.380 nan 0.000 0.495 317 F N -0.241 119.756 119.950 0.079 0.000 1.981 317 F HA 0.288 4.802 4.527 -0.021 0.000 0.215 317 F C 0.550 176.465 175.800 0.192 0.000 1.260 317 F CA -0.175 57.912 58.000 0.145 0.000 1.284 317 F CB -0.285 38.759 39.000 0.074 0.000 1.898 317 F HN 0.191 nan 8.300 nan 0.000 0.175 318 S N 2.143 117.941 115.700 0.163 0.000 2.562 318 S HA 0.553 5.009 4.470 -0.022 0.000 0.281 318 S C -0.757 173.885 174.600 0.071 0.000 1.333 318 S CA -0.222 58.013 58.200 0.059 0.000 1.052 318 S CB 0.030 63.292 63.200 0.103 0.000 0.884 318 S HN 0.487 nan 8.310 nan 0.000 0.506 319 R N 1.401 121.932 120.500 0.051 0.000 2.828 319 R HA 0.383 4.710 4.340 -0.022 0.000 0.280 319 R C -3.579 172.716 176.300 -0.008 0.000 1.020 319 R CA -1.641 54.455 56.100 -0.006 0.000 0.855 319 R CB 0.274 30.528 30.300 -0.078 0.000 1.278 319 R HN 0.300 nan 8.270 nan 0.000 0.495 320 P HA 0.146 nan 4.420 nan 0.000 0.278 320 P C -0.237 177.036 177.300 -0.045 0.000 1.238 320 P CA -0.336 62.724 63.100 -0.066 0.000 0.794 320 P CB 1.624 33.278 31.700 -0.078 0.000 0.955 321 A N 2.450 125.253 122.820 -0.028 0.000 2.275 321 A HA 0.226 4.532 4.320 -0.022 0.000 0.212 321 A C 2.098 179.688 177.584 0.011 0.000 1.201 321 A CA 0.888 52.955 52.037 0.051 0.000 0.843 321 A CB -1.205 17.832 19.000 0.061 0.000 0.873 321 A HN 0.616 nan 8.150 nan 0.000 0.492 322 G N -0.015 108.763 108.800 -0.036 0.000 2.440 322 G HA2 -0.246 3.701 3.960 -0.022 0.000 0.218 322 G HA3 -0.246 3.701 3.960 -0.022 0.000 0.218 322 G C 1.444 176.330 174.900 -0.024 0.000 1.154 322 G CA 1.177 46.257 45.100 -0.034 0.000 0.767 322 G HN 0.536 nan 8.290 nan 0.000 0.552 323 Q N -0.108 119.663 119.800 -0.049 0.000 2.124 323 Q HA 0.007 4.334 4.340 -0.022 0.000 0.202 323 Q C 2.796 178.797 176.000 0.002 0.000 0.977 323 Q CA 1.048 56.824 55.803 -0.045 0.000 0.850 323 Q CB -0.450 28.234 28.738 -0.089 0.000 0.901 323 Q HN 0.353 nan 8.270 nan 0.000 0.429 324 V N 0.315 120.241 119.914 0.020 0.000 2.343 324 V HA -0.247 3.860 4.120 -0.022 0.000 0.247 324 V C 1.977 178.169 176.094 0.164 0.000 1.051 324 V CA 1.601 63.985 62.300 0.140 0.000 1.036 324 V CB -0.412 31.532 31.823 0.202 0.000 0.654 324 V HN 0.350 nan 8.190 nan 0.000 0.451 325 I N 0.294 120.936 120.570 0.121 0.000 2.252 325 I HA -0.216 3.941 4.170 -0.022 0.000 0.245 325 I C 2.627 178.850 176.117 0.175 0.000 1.102 325 I CA 1.456 62.846 61.300 0.151 0.000 1.385 325 I CB -0.554 37.504 38.000 0.096 0.000 1.064 325 I HN 0.268 nan 8.210 nan 0.000 0.414 326 A N 0.135 123.014 122.820 0.098 0.000 1.902 326 A HA -0.302 4.005 4.320 -0.022 0.000 0.217 326 A C 2.242 179.894 177.584 0.115 0.000 1.181 326 A CA 2.030 54.130 52.037 0.105 0.000 0.623 326 A CB -0.676 18.344 19.000 0.033 0.000 0.818 326 A HN 0.442 nan 8.150 nan 0.000 0.443 327 Q N -1.382 118.437 119.800 0.031 0.000 2.096 327 Q HA -0.237 4.090 4.340 -0.022 0.000 0.204 327 Q C 1.835 177.590 176.000 -0.409 0.000 0.982 327 Q CA 2.384 58.078 55.803 -0.181 0.000 0.850 327 Q CB -0.638 28.067 28.738 -0.054 0.000 0.901 327 Q HN 0.704 nan 8.270 nan 0.000 0.422 328 Y N -0.281 119.886 120.300 -0.221 0.000 2.200 328 Y HA -0.241 4.295 4.550 -0.024 0.000 0.290 328 Y C 2.033 177.960 175.900 0.044 0.000 1.137 328 Y CA 1.732 59.775 58.100 -0.095 0.000 1.163 328 Y CB -0.843 37.655 38.460 0.062 0.000 0.988 328 Y HN 0.371 nan 8.280 nan 0.000 0.518 329 Y N 1.281 121.537 120.300 -0.074 0.000 2.128 329 Y HA -0.247 4.293 4.550 -0.016 0.000 0.284 329 Y C 2.153 178.000 175.900 -0.089 0.000 1.154 329 Y CA 2.293 60.330 58.100 -0.104 0.000 1.149 329 Y CB -0.441 38.009 38.460 -0.016 0.000 0.976 329 Y HN 0.125 nan 8.280 nan 0.000 0.505 330 E N 0.023 120.119 120.200 -0.172 0.000 2.051 330 E HA -0.179 4.158 4.350 -0.022 0.000 0.192 330 E C 2.136 178.784 176.600 0.080 0.000 0.991 330 E CA 1.328 57.628 56.400 -0.168 0.000 0.799 330 E CB -0.820 28.877 29.700 -0.005 0.000 0.748 330 E HN 0.461 nan 8.360 nan 0.000 0.449 331 F N 1.076 121.053 119.950 0.044 0.000 2.095 331 F HA -0.149 4.366 4.527 -0.020 0.000 0.298 331 F C 2.528 178.279 175.800 -0.081 0.000 1.104 331 F CA 0.582 58.627 58.000 0.074 0.000 1.232 331 F CB -1.249 37.777 39.000 0.042 0.000 0.987 331 F HN -0.001 nan 8.300 nan 0.000 0.475 332 L N 0.184 121.347 121.223 -0.099 0.000 2.017 332 L HA -0.212 4.115 4.340 -0.022 0.000 0.208 332 L C 2.752 179.529 176.870 -0.154 0.000 1.073 332 L CA 1.755 56.475 54.840 -0.199 0.000 0.745 332 L CB -0.483 41.345 42.059 -0.384 0.000 0.894 332 L HN 0.178 nan 8.230 nan 0.000 0.432 333 R N -0.197 120.144 120.500 -0.265 0.000 2.189 333 R HA -0.106 4.220 4.340 -0.022 0.000 0.218 333 R C 1.740 177.942 176.300 -0.164 0.000 1.074 333 R CA 1.097 57.043 56.100 -0.258 0.000 0.991 333 R CB -0.110 29.911 30.300 -0.466 0.000 0.883 333 R HN 0.365 nan 8.270 nan 0.000 0.457 334 L N -0.042 121.110 121.223 -0.118 0.000 2.435 334 L HA 0.304 4.631 4.340 -0.022 0.000 0.195 334 L C 1.147 178.032 176.870 0.024 0.000 1.072 334 L CA 0.462 55.243 54.840 -0.097 0.000 0.833 334 L CB -0.399 41.491 42.059 -0.282 0.000 1.081 334 L HN 0.505 nan 8.230 nan 0.000 0.485 335 G N 0.514 109.388 108.800 0.125 0.000 2.749 335 G HA2 -0.326 3.621 3.960 -0.022 0.000 0.242 335 G HA3 -0.326 3.621 3.960 -0.022 0.000 0.242 335 G C 0.434 175.435 174.900 0.168 0.000 1.364 335 G CA 0.325 45.499 45.100 0.123 0.000 0.888 335 G HN 0.236 nan 8.290 nan 0.000 0.566 336 R N 0.111 120.708 120.500 0.162 0.000 2.091 336 R HA -0.101 4.226 4.340 -0.022 0.000 0.238 336 R C 2.613 179.001 176.300 0.147 0.000 1.136 336 R CA 1.948 58.196 56.100 0.246 0.000 0.959 336 R CB -0.276 30.171 30.300 0.245 0.000 0.856 336 R HN 0.765 nan 8.270 nan 0.000 0.437 337 E N 0.013 120.268 120.200 0.092 0.000 2.051 337 E HA -0.151 4.185 4.350 -0.022 0.000 0.192 337 E C 2.000 178.608 176.600 0.014 0.000 0.991 337 E CA 1.446 57.880 56.400 0.056 0.000 0.799 337 E CB -0.175 29.548 29.700 0.037 0.000 0.748 337 E HN 0.398 nan 8.360 nan 0.000 0.449 338 G N -0.394 108.394 108.800 -0.020 0.000 2.394 338 G HA2 -0.253 3.693 3.960 -0.022 0.000 0.214 338 G HA3 -0.253 3.693 3.960 -0.022 0.000 0.214 338 G C 1.203 175.998 174.900 -0.175 0.000 1.176 338 G CA 0.758 45.799 45.100 -0.099 0.000 0.786 338 G HN 0.305 nan 8.290 nan 0.000 0.533 339 Y N 1.527 121.643 120.300 -0.306 0.000 2.193 339 Y HA -0.181 4.356 4.550 -0.022 0.000 0.285 339 Y C 3.354 179.044 175.900 -0.351 0.000 1.166 339 Y CA 1.902 59.673 58.100 -0.549 0.000 1.181 339 Y CB -0.385 37.163 38.460 -1.521 0.000 0.976 339 Y HN 0.162 nan 8.280 nan 0.000 0.520 340 T N -0.498 114.035 114.554 -0.035 0.000 2.737 340 T HA -0.181 4.155 4.350 -0.022 0.000 0.265 340 T C 1.800 176.554 174.700 0.091 0.000 1.038 340 T CA 1.643 63.822 62.100 0.133 0.000 1.144 340 T CB -0.182 68.785 68.868 0.165 0.000 0.866 340 T HN 0.229 nan 8.240 nan 0.000 0.434 341 K N 0.476 120.892 120.400 0.026 0.000 2.026 341 K HA -0.040 4.266 4.320 -0.022 0.000 0.208 341 K C 2.312 178.909 176.600 -0.005 0.000 1.048 341 K CA 0.881 57.172 56.287 0.007 0.000 0.929 341 K CB -0.468 32.018 32.500 -0.023 0.000 0.713 341 K HN 0.097 nan 8.250 nan 0.000 0.439 342 V N 1.583 121.464 119.914 -0.055 0.000 2.261 342 V HA -0.269 3.837 4.120 -0.022 0.000 0.246 342 V C 2.329 178.449 176.094 0.043 0.000 1.047 342 V CA 1.658 63.918 62.300 -0.066 0.000 1.015 342 V CB -0.460 31.258 31.823 -0.175 0.000 0.642 342 V HN 0.355 nan 8.190 nan 0.000 0.446 343 Q N 0.081 119.956 119.800 0.126 0.000 2.124 343 Q HA -0.199 4.127 4.340 -0.022 0.000 0.202 343 Q C 1.982 178.147 176.000 0.276 0.000 0.977 343 Q CA 1.777 57.717 55.803 0.228 0.000 0.850 343 Q CB -0.934 28.021 28.738 0.362 0.000 0.901 343 Q HN 0.747 nan 8.270 nan 0.000 0.429 344 N N 0.818 119.666 118.700 0.247 0.000 2.149 344 N HA -0.137 4.590 4.740 -0.022 0.000 0.188 344 N C 1.753 177.357 175.510 0.157 0.000 1.019 344 N CA 1.039 54.227 53.050 0.229 0.000 0.857 344 N CB -0.118 38.447 38.487 0.130 0.000 0.997 344 N HN 0.292 nan 8.380 nan 0.000 0.426 345 A N 0.276 123.146 122.820 0.083 0.000 1.940 345 A HA -0.137 4.170 4.320 -0.022 0.000 0.219 345 A C 2.307 179.919 177.584 0.046 0.000 1.176 345 A CA 1.583 53.640 52.037 0.034 0.000 0.631 345 A CB -0.471 18.520 19.000 -0.015 0.000 0.814 345 A HN 0.197 nan 8.150 nan 0.000 0.446 346 S N -1.876 113.862 115.700 0.063 0.000 2.395 346 S HA -0.029 4.428 4.470 -0.022 0.000 0.225 346 S C 1.774 176.380 174.600 0.010 0.000 1.027 346 S CA 0.917 59.141 58.200 0.040 0.000 0.965 346 S CB -0.469 62.769 63.200 0.064 0.000 0.812 346 S HN 0.646 nan 8.310 nan 0.000 0.482 347 Y N 2.411 122.744 120.300 0.055 0.000 2.224 347 Y HA -0.139 4.398 4.550 -0.022 0.000 0.289 347 Y C 2.584 178.498 175.900 0.024 0.000 1.146 347 Y CA 1.104 59.218 58.100 0.024 0.000 1.182 347 Y CB -0.505 37.960 38.460 0.007 0.000 0.983 347 Y HN 0.310 nan 8.280 nan 0.000 0.524 348 Q N -0.807 119.096 119.800 0.171 0.000 2.084 348 Q HA -0.166 4.161 4.340 -0.022 0.000 0.202 348 Q C 2.357 178.410 176.000 0.088 0.000 0.978 348 Q CA 1.925 57.784 55.803 0.094 0.000 0.844 348 Q CB -0.386 28.374 28.738 0.037 0.000 0.898 348 Q HN 0.303 nan 8.270 nan 0.000 0.426 349 V N 0.839 120.794 119.914 0.069 0.000 2.343 349 V HA -0.291 3.815 4.120 -0.022 0.000 0.247 349 V C 2.232 178.400 176.094 0.124 0.000 1.051 349 V CA 1.816 64.160 62.300 0.073 0.000 1.036 349 V CB -1.007 30.818 31.823 0.004 0.000 0.654 349 V HN 0.424 nan 8.190 nan 0.000 0.451 350 A N 0.058 122.945 122.820 0.112 0.000 1.877 350 A HA -0.131 4.176 4.320 -0.022 0.000 0.216 350 A C 2.435 180.061 177.584 0.070 0.000 1.186 350 A CA 2.166 54.262 52.037 0.097 0.000 0.620 350 A CB -0.851 18.194 19.000 0.075 0.000 0.822 350 A HN 0.573 nan 8.150 nan 0.000 0.443 351 A N -1.588 121.285 122.820 0.088 0.000 1.902 351 A HA -0.111 4.195 4.320 -0.022 0.000 0.217 351 A C 2.152 179.750 177.584 0.023 0.000 1.181 351 A CA 1.749 53.809 52.037 0.039 0.000 0.623 351 A CB -0.802 18.230 19.000 0.053 0.000 0.818 351 A HN 0.726 nan 8.150 nan 0.000 0.443 352 Y N 0.511 120.775 120.300 -0.060 0.000 2.114 352 Y HA -0.160 4.376 4.550 -0.022 0.000 0.284 352 Y C 1.982 177.819 175.900 -0.105 0.000 1.143 352 Y CA 1.729 59.779 58.100 -0.082 0.000 1.135 352 Y CB -0.503 37.913 38.460 -0.073 0.000 0.980 352 Y HN 0.214 nan 8.280 nan 0.000 0.499 353 L N -0.327 120.787 121.223 -0.182 0.000 2.043 353 L HA -0.293 4.033 4.340 -0.022 0.000 0.212 353 L C 2.770 179.463 176.870 -0.295 0.000 1.075 353 L CA 1.358 56.036 54.840 -0.270 0.000 0.752 353 L CB -1.060 40.959 42.059 -0.067 0.000 0.891 353 L HN 0.358 nan 8.230 nan 0.000 0.432 354 A N -0.560 122.126 122.820 -0.223 0.000 1.858 354 A HA -0.285 4.021 4.320 -0.022 0.000 0.216 354 A C 2.137 179.410 177.584 -0.519 0.000 1.190 354 A CA 2.044 53.872 52.037 -0.349 0.000 0.617 354 A CB -0.744 18.060 19.000 -0.326 0.000 0.827 354 A HN 0.427 nan 8.150 nan 0.000 0.443 355 D N -0.878 119.290 120.400 -0.387 0.000 2.104 355 D HA -0.158 4.468 4.640 -0.022 0.000 0.194 355 D C 1.863 177.960 176.300 -0.339 0.000 0.994 355 D CA 1.428 55.228 54.000 -0.335 0.000 0.830 355 D CB 0.007 40.682 40.800 -0.209 0.000 0.959 355 D HN 0.411 nan 8.370 nan 0.000 0.452 356 E N 0.428 120.365 120.200 -0.438 0.000 2.051 356 E HA -0.061 4.276 4.350 -0.022 0.000 0.189 356 E C 2.507 178.902 176.600 -0.342 0.000 0.979 356 E CA 0.129 56.275 56.400 -0.423 0.000 0.803 356 E CB -0.239 29.078 29.700 -0.639 0.000 0.761 356 E HN 0.434 nan 8.360 nan 0.000 0.451 357 I N 1.460 121.787 120.570 -0.404 0.000 2.335 357 I HA -0.265 3.891 4.170 -0.022 0.000 0.251 357 I C 2.392 178.461 176.117 -0.080 0.000 1.129 357 I CA 0.971 62.013 61.300 -0.430 0.000 1.402 357 I CB -0.286 37.320 38.000 -0.657 0.000 1.069 357 I HN -0.009 nan 8.210 nan 0.000 0.424 358 A N 0.659 123.452 122.820 -0.044 0.000 2.032 358 A HA -0.240 4.067 4.320 -0.022 0.000 0.221 358 A C 2.185 179.835 177.584 0.109 0.000 1.165 358 A CA 1.666 53.794 52.037 0.152 0.000 0.645 358 A CB -0.432 18.479 19.000 -0.148 0.000 0.807 358 A HN 0.401 nan 8.150 nan 0.000 0.453 359 K N -0.708 119.690 120.400 -0.003 0.000 2.459 359 K HA 0.247 4.553 4.320 -0.022 0.000 0.193 359 K C 1.052 177.656 176.600 0.007 0.000 1.030 359 K CA 0.350 56.627 56.287 -0.016 0.000 1.026 359 K CB 0.006 32.475 32.500 -0.051 0.000 0.809 359 K HN 0.483 nan 8.250 nan 0.000 0.504 360 L N -0.622 120.636 121.223 0.058 0.000 2.554 360 L HA 0.217 4.544 4.340 -0.022 0.000 0.225 360 L C 0.962 177.881 176.870 0.080 0.000 1.104 360 L CA -0.293 54.612 54.840 0.109 0.000 0.866 360 L CB 0.578 42.727 42.059 0.150 0.000 1.047 360 L HN 0.102 nan 8.230 nan 0.000 0.468 361 G N -0.379 108.306 108.800 -0.192 0.000 2.600 361 G HA2 0.390 4.337 3.960 -0.022 0.000 0.293 361 G HA3 0.390 4.337 3.960 -0.022 0.000 0.293 361 G C -2.993 171.378 174.900 -0.882 0.000 1.408 361 G CA -0.515 44.191 45.100 -0.657 0.000 0.782 361 G HN -0.337 nan 8.290 nan 0.000 0.482 362 P HA 0.354 nan 4.420 nan 0.000 0.256 362 P C -1.491 175.639 177.300 -0.283 0.000 1.689 362 P CA -0.117 62.770 63.100 -0.355 0.000 1.124 362 P CB -0.259 31.308 31.700 -0.221 0.000 1.766 363 Y N -0.139 120.180 120.300 0.031 0.000 2.509 363 Y HA 0.501 5.038 4.550 -0.022 0.000 0.341 363 Y C 0.837 176.718 175.900 -0.032 0.000 1.038 363 Y CA -1.404 56.672 58.100 -0.040 0.000 1.089 363 Y CB 1.913 40.237 38.460 -0.227 0.000 1.241 363 Y HN 0.253 nan 8.280 nan 0.000 0.468 364 E N 2.141 122.394 120.200 0.087 0.000 2.176 364 E HA 0.416 4.752 4.350 -0.022 0.000 0.267 364 E C -1.823 174.751 176.600 -0.043 0.000 0.893 364 E CA -0.631 55.819 56.400 0.084 0.000 0.761 364 E CB 0.855 30.600 29.700 0.075 0.000 1.133 364 E HN 0.477 nan 8.360 nan 0.000 0.409 365 F N 4.616 124.635 119.950 0.116 0.000 2.411 365 F HA 0.296 4.809 4.527 -0.023 0.000 0.350 365 F C 1.139 176.987 175.800 0.080 0.000 1.114 365 F CA -0.348 57.715 58.000 0.104 0.000 1.135 365 F CB 0.839 39.867 39.000 0.047 0.000 1.120 365 F HN 0.541 nan 8.300 nan 0.000 0.495 366 I N 1.198 121.880 120.570 0.187 0.000 2.852 366 I HA -0.000 4.156 4.170 -0.022 0.000 0.264 366 I C 0.438 176.635 176.117 0.133 0.000 1.179 366 I CA 0.730 62.111 61.300 0.135 0.000 1.480 366 I CB 0.324 38.372 38.000 0.080 0.000 1.111 366 I HN 0.478 nan 8.210 nan 0.000 0.441 367 C N 0.500 119.903 119.300 0.173 0.000 2.701 367 C HA 0.446 4.893 4.460 -0.022 0.000 0.336 367 C C 0.759 175.849 174.990 0.166 0.000 1.123 367 C CA -0.253 58.833 59.018 0.114 0.000 1.326 367 C CB 1.025 28.799 27.740 0.056 0.000 1.833 367 C HN 0.466 nan 8.230 nan 0.000 0.473 368 T N 0.170 114.772 114.554 0.080 0.000 3.288 368 T HA 0.425 4.762 4.350 -0.022 0.000 0.293 368 T C 1.038 175.748 174.700 0.017 0.000 1.008 368 T CA 0.738 62.852 62.100 0.024 0.000 0.929 368 T CB -0.007 68.806 68.868 -0.092 0.000 1.152 368 T HN 2.346 nan 8.240 nan 0.000 0.517 369 G N 2.062 110.894 108.800 0.052 0.000 2.221 369 G HA2 -0.277 3.670 3.960 -0.022 0.000 0.265 369 G HA3 -0.277 3.670 3.960 -0.022 0.000 0.265 369 G C -0.067 174.939 174.900 0.176 0.000 1.041 369 G CA -0.314 44.859 45.100 0.122 0.000 0.807 369 G HN 0.709 nan 8.290 nan 0.000 0.502 370 R N 0.176 120.706 120.500 0.051 0.000 2.254 370 R HA 0.366 4.693 4.340 -0.022 0.000 0.318 370 R C -0.998 175.195 176.300 -0.178 0.000 1.031 370 R CA -1.660 54.411 56.100 -0.047 0.000 0.905 370 R CB 1.245 31.517 30.300 -0.046 0.000 1.050 370 R HN 0.064 nan 8.270 nan 0.000 0.456 371 P HA -0.183 nan 4.420 nan 0.000 0.222 371 P C 0.133 177.309 177.300 -0.207 0.000 1.147 371 P CA 1.238 63.876 63.100 -0.770 0.000 0.790 371 P CB 0.223 31.396 31.700 -0.878 0.000 0.780 372 D N -0.697 119.655 120.400 -0.080 0.000 2.349 372 D HA -0.060 4.567 4.640 -0.022 0.000 0.215 372 D C 1.303 177.756 176.300 0.255 0.000 1.016 372 D CA 0.499 54.561 54.000 0.103 0.000 0.870 372 D CB -0.196 40.635 40.800 0.051 0.000 0.917 372 D HN 0.250 nan 8.370 nan 0.000 0.524 373 E N -0.136 120.105 120.200 0.069 0.000 2.434 373 E HA 0.349 4.686 4.350 -0.022 0.000 0.207 373 E C 0.953 177.302 176.600 -0.418 0.000 0.929 373 E CA 0.279 56.708 56.400 0.048 0.000 1.001 373 E CB 1.432 31.131 29.700 -0.001 0.000 1.016 373 E HN 0.335 nan 8.360 nan 0.000 0.502 374 G N 1.339 109.608 108.800 -0.883 0.000 2.452 374 G HA2 0.201 4.148 3.960 -0.022 0.000 0.224 374 G HA3 0.201 4.148 3.960 -0.022 0.000 0.224 374 G C -1.310 173.017 174.900 -0.956 0.000 1.208 374 G CA -0.467 43.651 45.100 -1.637 0.000 0.946 374 G HN 0.098 nan 8.290 nan 0.000 0.481 375 I N -1.395 118.818 120.570 -0.595 0.000 3.076 375 I HA 0.760 4.916 4.170 -0.022 0.000 0.313 375 I C -2.589 173.314 176.117 -0.357 0.000 1.053 375 I CA -2.852 58.192 61.300 -0.426 0.000 1.048 375 I CB 2.263 40.018 38.000 -0.407 0.000 1.264 375 I HN 0.131 nan 8.210 nan 0.000 0.498 376 P HA 0.275 nan 4.420 nan 0.000 0.263 376 P C -1.071 176.160 177.300 -0.114 0.000 1.601 376 P CA 0.260 63.078 63.100 -0.470 0.000 1.161 376 P CB 0.075 31.457 31.700 -0.531 0.000 1.730 377 A N 2.312 125.100 122.820 -0.054 0.000 2.587 377 A HA 0.717 5.023 4.320 -0.022 0.000 0.293 377 A C -1.245 176.370 177.584 0.052 0.000 1.087 377 A CA -0.588 51.447 52.037 -0.003 0.000 0.692 377 A CB 1.527 20.513 19.000 -0.023 0.000 1.291 377 A HN 0.115 nan 8.150 nan 0.000 0.407 378 V N -0.026 119.943 119.914 0.092 0.000 2.531 378 V HA 0.607 4.714 4.120 -0.022 0.000 0.301 378 V C -0.603 175.611 176.094 0.200 0.000 1.034 378 V CA -0.596 61.816 62.300 0.188 0.000 0.865 378 V CB 1.144 33.099 31.823 0.221 0.000 0.995 378 V HN 1.161 nan 8.190 nan 0.000 0.424 379 C N 7.598 127.035 119.300 0.227 0.000 2.431 379 C HA 0.937 5.383 4.460 -0.022 0.000 0.321 379 C C -0.790 174.264 174.990 0.106 0.000 1.202 379 C CA -0.650 58.413 59.018 0.075 0.000 1.398 379 C CB 0.028 27.780 27.740 0.019 0.000 2.047 379 C HN 0.877 nan 8.230 nan 0.000 0.465 380 F N 3.958 123.715 119.950 -0.321 0.000 2.715 380 F HA 0.875 5.388 4.527 -0.023 0.000 0.318 380 F C -0.949 174.613 175.800 -0.397 0.000 1.141 380 F CA -1.008 56.678 58.000 -0.524 0.000 0.950 380 F CB 1.115 39.415 39.000 -1.168 0.000 1.374 380 F HN 0.671 nan 8.300 nan 0.000 0.477 381 K N 0.839 121.107 120.400 -0.219 0.000 2.533 381 K HA 0.644 4.951 4.320 -0.022 0.000 0.272 381 K C -1.694 174.941 176.600 0.058 0.000 0.985 381 K CA -1.001 55.181 56.287 -0.175 0.000 0.876 381 K CB 2.209 34.623 32.500 -0.144 0.000 1.452 381 K HN 0.842 nan 8.250 nan 0.000 0.439 382 L N 2.008 123.264 121.223 0.056 0.000 2.456 382 L HA 0.152 4.478 4.340 -0.022 0.000 0.272 382 L C 0.325 177.219 176.870 0.041 0.000 1.189 382 L CA -0.271 54.630 54.840 0.103 0.000 0.846 382 L CB 0.230 42.296 42.059 0.012 0.000 1.111 382 L HN 0.595 nan 8.230 nan 0.000 0.475 383 K N 2.013 122.434 120.400 0.035 0.000 2.484 383 K HA -0.014 4.292 4.320 -0.022 0.000 0.280 383 K C -0.474 176.119 176.600 -0.011 0.000 1.013 383 K CA -0.398 55.895 56.287 0.011 0.000 1.029 383 K CB 0.191 32.691 32.500 -0.000 0.000 0.902 383 K HN 0.404 nan 8.250 nan 0.000 0.481 384 D N 1.785 122.181 120.400 -0.007 0.000 2.658 384 D HA -0.042 4.585 4.640 -0.022 0.000 0.230 384 D C 1.185 177.473 176.300 -0.019 0.000 1.118 384 D CA 1.430 55.422 54.000 -0.013 0.000 0.848 384 D CB 0.363 41.159 40.800 -0.006 0.000 1.160 384 D HN 0.780 nan 8.370 nan 0.000 0.497 385 G N 2.102 110.887 108.800 -0.024 0.000 2.203 385 G HA2 -0.335 3.612 3.960 -0.022 0.000 0.263 385 G HA3 -0.335 3.612 3.960 -0.022 0.000 0.263 385 G C 0.273 175.149 174.900 -0.039 0.000 1.012 385 G CA 0.511 45.594 45.100 -0.028 0.000 0.749 385 G HN 0.519 nan 8.290 nan 0.000 0.512 386 E N 0.281 120.450 120.200 -0.052 0.000 2.158 386 E HA 0.526 4.863 4.350 -0.022 0.000 0.271 386 E C -1.057 175.481 176.600 -0.104 0.000 0.911 386 E CA -0.783 55.573 56.400 -0.074 0.000 0.767 386 E CB 1.068 30.721 29.700 -0.078 0.000 1.120 386 E HN 0.107 nan 8.360 nan 0.000 0.405 387 D N 5.169 125.502 120.400 -0.112 0.000 2.461 387 D HA 0.253 4.880 4.640 -0.022 0.000 0.240 387 D C -1.886 174.302 176.300 -0.186 0.000 1.094 387 D CA -1.879 52.035 54.000 -0.144 0.000 0.868 387 D CB 1.338 42.082 40.800 -0.093 0.000 1.062 387 D HN 0.297 nan 8.370 nan 0.000 0.530 388 P HA 0.270 nan 4.420 nan 0.000 0.257 388 P C 0.675 177.814 177.300 -0.269 0.000 1.281 388 P CA 0.047 62.946 63.100 -0.334 0.000 0.826 388 P CB 0.534 31.905 31.700 -0.548 0.000 1.237 389 G N -0.053 108.609 108.800 -0.230 0.000 2.130 389 G HA2 -0.172 3.774 3.960 -0.022 0.000 0.216 389 G HA3 -0.172 3.774 3.960 -0.022 0.000 0.216 389 G C -0.282 174.673 174.900 0.093 0.000 0.999 389 G CA -0.014 45.067 45.100 -0.031 0.000 0.686 389 G HN 0.556 nan 8.290 nan 0.000 0.515 390 Y N -2.406 117.918 120.300 0.041 0.000 2.702 390 Y HA 0.748 5.285 4.550 -0.022 0.000 0.336 390 Y C -0.094 175.838 175.900 0.053 0.000 1.203 390 Y CA -0.880 57.253 58.100 0.054 0.000 1.072 390 Y CB 0.281 38.778 38.460 0.061 0.000 1.327 390 Y HN 0.757 nan 8.280 nan 0.000 0.456 391 T N -1.216 113.499 114.554 0.268 0.000 2.937 391 T HA 0.502 4.839 4.350 -0.022 0.000 0.283 391 T C 0.493 175.349 174.700 0.259 0.000 1.012 391 T CA -0.915 61.300 62.100 0.190 0.000 0.997 391 T CB 1.237 70.204 68.868 0.166 0.000 1.136 391 T HN 0.827 nan 8.240 nan 0.000 0.551 392 L N -0.398 120.852 121.223 0.045 0.000 2.217 392 L HA 0.028 4.355 4.340 -0.022 0.000 0.211 392 L C 2.349 179.167 176.870 -0.087 0.000 1.107 392 L CA 0.883 55.690 54.840 -0.054 0.000 0.783 392 L CB -0.676 41.219 42.059 -0.274 0.000 0.919 392 L HN 0.668 nan 8.230 nan 0.000 0.442 393 Y N 0.684 120.992 120.300 0.013 0.000 2.114 393 Y HA -0.307 4.230 4.550 -0.022 0.000 0.282 393 Y C 2.514 178.429 175.900 0.025 0.000 1.165 393 Y CA 1.291 59.400 58.100 0.016 0.000 1.148 393 Y CB -0.729 37.746 38.460 0.026 0.000 0.972 393 Y HN 0.244 nan 8.280 nan 0.000 0.504 394 D N -0.336 120.197 120.400 0.223 0.000 2.104 394 D HA -0.167 4.459 4.640 -0.022 0.000 0.194 394 D C 2.266 178.597 176.300 0.053 0.000 0.994 394 D CA 1.197 55.284 54.000 0.146 0.000 0.830 394 D CB -0.619 40.290 40.800 0.182 0.000 0.959 394 D HN 0.248 nan 8.370 nan 0.000 0.452 395 L N 0.788 122.007 121.223 -0.007 0.000 2.046 395 L HA -0.117 4.210 4.340 -0.022 0.000 0.208 395 L C 2.316 179.113 176.870 -0.121 0.000 1.077 395 L CA 1.554 56.294 54.840 -0.167 0.000 0.747 395 L CB -0.866 41.033 42.059 -0.267 0.000 0.896 395 L HN -0.089 nan 8.230 nan 0.000 0.432 396 S N -0.913 114.760 115.700 -0.046 0.000 2.382 396 S HA -0.281 4.176 4.470 -0.022 0.000 0.228 396 S C 2.071 176.688 174.600 0.028 0.000 1.027 396 S CA 1.605 59.803 58.200 -0.003 0.000 0.991 396 S CB -0.396 62.827 63.200 0.039 0.000 0.823 396 S HN 0.657 nan 8.310 nan 0.000 0.469 397 E N -0.010 120.215 120.200 0.041 0.000 2.077 397 E HA -0.187 4.149 4.350 -0.022 0.000 0.193 397 E C 2.219 178.822 176.600 0.004 0.000 0.989 397 E CA 1.001 57.422 56.400 0.034 0.000 0.800 397 E CB -0.054 29.672 29.700 0.043 0.000 0.746 397 E HN 0.254 nan 8.360 nan 0.000 0.452 398 R N 0.369 120.857 120.500 -0.019 0.000 2.105 398 R HA -0.088 4.239 4.340 -0.022 0.000 0.239 398 R C 2.400 178.687 176.300 -0.021 0.000 1.135 398 R CA 0.913 56.983 56.100 -0.051 0.000 0.967 398 R CB -0.983 29.276 30.300 -0.069 0.000 0.861 398 R HN 0.337 nan 8.270 nan 0.000 0.442 399 L N -0.138 121.086 121.223 0.002 0.000 2.156 399 L HA -0.022 4.305 4.340 -0.022 0.000 0.208 399 L C 2.466 179.441 176.870 0.175 0.000 1.095 399 L CA 0.948 55.850 54.840 0.104 0.000 0.770 399 L CB -0.252 41.841 42.059 0.057 0.000 0.914 399 L HN 0.116 nan 8.230 nan 0.000 0.439 400 R N -0.019 120.537 120.500 0.094 0.000 2.148 400 R HA -0.083 4.244 4.340 -0.022 0.000 0.227 400 R C 2.105 178.421 176.300 0.027 0.000 1.103 400 R CA 0.929 57.070 56.100 0.068 0.000 0.983 400 R CB -0.146 30.180 30.300 0.044 0.000 0.874 400 R HN 0.345 nan 8.270 nan 0.000 0.451 401 L N 0.133 121.361 121.223 0.008 0.000 2.465 401 L HA -0.064 4.263 4.340 -0.022 0.000 0.224 401 L C 1.491 178.353 176.870 -0.013 0.000 1.145 401 L CA 0.866 55.690 54.840 -0.028 0.000 0.834 401 L CB 0.000 42.012 42.059 -0.079 0.000 0.944 401 L HN 0.068 nan 8.230 nan 0.000 0.451 402 R N -0.389 120.141 120.500 0.050 0.000 2.546 402 R HA 0.238 4.565 4.340 -0.022 0.000 0.320 402 R C 1.031 177.274 176.300 -0.095 0.000 1.021 402 R CA 0.585 56.724 56.100 0.065 0.000 1.088 402 R CB 0.821 31.257 30.300 0.225 0.000 1.278 402 R HN 0.307 nan 8.270 nan 0.000 0.557 403 G N 0.665 109.391 108.800 -0.124 0.000 2.176 403 G HA2 -0.245 3.702 3.960 -0.022 0.000 0.253 403 G HA3 -0.245 3.702 3.960 -0.022 0.000 0.253 403 G C -0.374 174.342 174.900 -0.307 0.000 0.979 403 G CA -0.237 44.705 45.100 -0.264 0.000 0.641 403 G HN 0.312 nan 8.290 nan 0.000 0.530 404 W N 0.291 121.597 121.300 0.010 0.000 2.438 404 W HA 0.682 5.329 4.660 -0.021 0.000 0.324 404 W C 0.407 176.919 176.519 -0.011 0.000 1.119 404 W CA -0.896 56.450 57.345 0.002 0.000 1.221 404 W CB 1.274 30.747 29.460 0.021 0.000 1.253 404 W HN 0.131 nan 8.180 nan 0.000 0.555 405 Q N 2.622 122.564 119.800 0.237 0.000 2.394 405 Q HA 0.490 4.816 4.340 -0.022 0.000 0.259 405 Q C -1.682 174.394 176.000 0.126 0.000 1.021 405 Q CA -0.398 55.490 55.803 0.141 0.000 0.805 405 Q CB 1.150 29.939 28.738 0.086 0.000 1.226 405 Q HN 0.374 nan 8.270 nan 0.000 0.476 406 V N 7.930 127.906 119.914 0.104 0.000 2.357 406 V HA 0.459 4.565 4.120 -0.022 0.000 0.281 406 V C -2.238 173.885 176.094 0.047 0.000 1.015 406 V CA -1.637 60.693 62.300 0.051 0.000 0.827 406 V CB 1.487 33.325 31.823 0.026 0.000 1.018 406 V HN 0.774 nan 8.190 nan 0.000 0.432 407 P HA 0.327 nan 4.420 nan 0.000 0.271 407 P C -0.583 176.757 177.300 0.067 0.000 1.216 407 P CA 0.110 63.306 63.100 0.160 0.000 0.771 407 P CB 1.417 33.282 31.700 0.276 0.000 0.864 408 A N 4.114 126.974 122.820 0.066 0.000 2.330 408 A HA 0.853 5.159 4.320 -0.022 0.000 0.327 408 A C -0.614 177.000 177.584 0.050 0.000 1.155 408 A CA -0.479 51.448 52.037 -0.184 0.000 0.803 408 A CB 0.373 19.192 19.000 -0.302 0.000 1.208 408 A HN 0.568 nan 8.150 nan 0.000 0.477 409 F N -0.754 119.101 119.950 -0.158 0.000 2.779 409 F HA 0.756 5.270 4.527 -0.022 0.000 0.316 409 F C -0.062 175.695 175.800 -0.072 0.000 1.164 409 F CA -0.574 57.421 58.000 -0.009 0.000 0.924 409 F CB 0.911 39.926 39.000 0.025 0.000 1.348 409 F HN 0.546 nan 8.300 nan 0.000 0.467 410 T N 0.275 114.993 114.554 0.274 0.000 2.928 410 T HA 0.699 5.036 4.350 -0.022 0.000 0.284 410 T C -0.104 174.699 174.700 0.172 0.000 1.008 410 T CA -0.787 61.388 62.100 0.126 0.000 1.057 410 T CB 1.352 70.291 68.868 0.118 0.000 1.018 410 T HN 0.742 nan 8.240 nan 0.000 0.493 411 L N 0.979 122.233 121.223 0.051 0.000 2.479 411 L HA 0.600 4.927 4.340 -0.022 0.000 0.248 411 L C 1.393 178.240 176.870 -0.038 0.000 1.205 411 L CA -0.678 54.170 54.840 0.013 0.000 0.817 411 L CB 0.134 42.194 42.059 0.000 0.000 1.162 411 L HN 0.975 nan 8.230 nan 0.000 0.486 412 G N -1.640 107.104 108.800 -0.093 0.000 2.857 412 G HA2 0.523 4.469 3.960 -0.022 0.000 0.217 412 G HA3 0.523 4.469 3.960 -0.022 0.000 0.217 412 G C 0.413 175.287 174.900 -0.042 0.000 1.357 412 G CA -0.110 44.941 45.100 -0.082 0.000 1.033 412 G HN 0.937 nan 8.290 nan 0.000 0.571 413 G N 0.024 108.806 108.800 -0.030 0.000 2.692 413 G HA2 -0.360 3.587 3.960 -0.022 0.000 0.339 413 G HA3 -0.360 3.587 3.960 -0.022 0.000 0.339 413 G C 0.913 175.805 174.900 -0.013 0.000 1.226 413 G CA 1.225 46.316 45.100 -0.015 0.000 0.979 413 G HN 0.713 nan 8.290 nan 0.000 0.549 414 E N 1.115 121.306 120.200 -0.015 0.000 2.481 414 E HA 0.521 4.858 4.350 -0.022 0.000 0.198 414 E C 1.699 178.291 176.600 -0.013 0.000 1.027 414 E CA 0.452 56.844 56.400 -0.013 0.000 0.900 414 E CB 0.526 30.216 29.700 -0.017 0.000 0.993 414 E HN 0.660 nan 8.360 nan 0.000 0.482 415 A N 0.487 123.298 122.820 -0.014 0.000 2.574 415 A HA 0.073 4.380 4.320 -0.022 0.000 0.283 415 A C 1.615 179.193 177.584 -0.011 0.000 1.270 415 A CA -0.118 51.912 52.037 -0.012 0.000 0.945 415 A CB -0.152 18.841 19.000 -0.010 0.000 1.127 415 A HN 0.111 nan 8.150 nan 0.000 0.522 416 T N -0.608 113.942 114.554 -0.007 0.000 2.977 416 T HA -0.110 4.227 4.350 -0.022 0.000 0.271 416 T C 1.093 175.799 174.700 0.011 0.000 1.105 416 T CA 1.821 63.921 62.100 0.001 0.000 1.116 416 T CB -0.443 68.426 68.868 0.001 0.000 0.878 416 T HN 0.402 nan 8.240 nan 0.000 0.509 417 D N 0.297 120.699 120.400 0.004 0.000 2.347 417 D HA 0.190 4.816 4.640 -0.022 0.000 0.213 417 D C 0.383 176.679 176.300 -0.007 0.000 0.985 417 D CA 0.251 54.254 54.000 0.005 0.000 0.879 417 D CB 0.095 40.895 40.800 -0.000 0.000 0.919 417 D HN 0.480 nan 8.370 nan 0.000 0.526 418 I N 1.188 121.745 120.570 -0.022 0.000 2.331 418 I HA 0.122 4.279 4.170 -0.022 0.000 0.292 418 I C -0.205 175.852 176.117 -0.099 0.000 0.998 418 I CA -0.609 60.657 61.300 -0.056 0.000 1.267 418 I CB 1.968 39.937 38.000 -0.053 0.000 1.386 418 I HN -0.392 nan 8.210 nan 0.000 0.476 419 V N 7.302 127.120 119.914 -0.160 0.000 2.394 419 V HA 0.427 4.534 4.120 -0.022 0.000 0.282 419 V C 0.106 175.962 176.094 -0.396 0.000 1.031 419 V CA -0.608 61.514 62.300 -0.296 0.000 0.881 419 V CB 1.606 33.205 31.823 -0.374 0.000 0.982 419 V HN 0.553 nan 8.190 nan 0.000 0.451 420 V N 2.692 122.265 119.914 -0.568 0.000 2.960 420 V HA 0.738 4.844 4.120 -0.022 0.000 0.315 420 V C -0.488 175.057 176.094 -0.917 0.000 1.087 420 V CA -0.963 60.916 62.300 -0.702 0.000 0.982 420 V CB 2.065 33.502 31.823 -0.642 0.000 1.039 420 V HN 0.854 nan 8.190 nan 0.000 0.437 421 M N 3.385 122.407 119.600 -0.963 0.000 2.294 421 M HA 0.603 5.070 4.480 -0.022 0.000 0.335 421 M C -0.594 175.303 176.300 -0.673 0.000 1.079 421 M CA -0.616 54.167 55.300 -0.861 0.000 0.982 421 M CB 1.396 33.386 32.600 -1.016 0.000 1.651 421 M HN 0.942 nan 8.290 nan 0.000 0.437 422 R N 5.595 125.885 120.500 -0.350 0.000 2.437 422 R HA 0.641 4.968 4.340 -0.022 0.000 0.310 422 R C -1.848 174.428 176.300 -0.041 0.000 0.955 422 R CA -0.477 55.554 56.100 -0.116 0.000 0.851 422 R CB 1.157 31.498 30.300 0.069 0.000 1.161 422 R HN 0.803 nan 8.270 nan 0.000 0.446 423 I N 4.765 125.335 120.570 0.000 0.000 2.354 423 I HA 0.324 4.481 4.170 -0.022 0.000 0.292 423 I C 0.013 176.097 176.117 -0.054 0.000 0.989 423 I CA -0.732 60.559 61.300 -0.015 0.000 1.188 423 I CB 1.878 39.910 38.000 0.053 0.000 1.342 423 I HN 0.407 nan 8.210 nan 0.000 0.457 424 M N 5.067 124.584 119.600 -0.139 0.000 2.238 424 M HA 0.321 4.788 4.480 -0.022 0.000 0.350 424 M C -1.099 175.164 176.300 -0.062 0.000 1.138 424 M CA -0.370 54.837 55.300 -0.155 0.000 1.040 424 M CB 1.482 33.865 32.600 -0.362 0.000 1.639 424 M HN 0.583 nan 8.290 nan 0.000 0.451 425 C N 5.133 124.480 119.300 0.077 0.000 2.225 425 C HA 0.562 5.008 4.460 -0.022 0.000 0.323 425 C C 0.645 175.754 174.990 0.199 0.000 1.164 425 C CA -0.875 58.277 59.018 0.223 0.000 1.565 425 C CB -0.536 27.356 27.740 0.254 0.000 2.124 425 C HN 0.866 nan 8.230 nan 0.000 0.461 426 R N 2.392 122.964 120.500 0.120 0.000 2.923 426 R HA 0.634 4.960 4.340 -0.022 0.000 0.252 426 R C -0.091 176.229 176.300 0.032 0.000 1.130 426 R CA -0.825 55.274 56.100 -0.002 0.000 1.043 426 R CB 0.928 31.116 30.300 -0.187 0.000 1.205 426 R HN 0.669 nan 8.270 nan 0.000 0.495 427 R N -0.267 120.208 120.500 -0.041 0.000 2.585 427 R HA 0.128 4.455 4.340 -0.022 0.000 0.275 427 R C 0.374 176.604 176.300 -0.118 0.000 1.018 427 R CA 1.855 57.899 56.100 -0.094 0.000 1.072 427 R CB 0.003 30.228 30.300 -0.125 0.000 0.953 427 R HN 0.964 nan 8.270 nan 0.000 0.419 428 G N 3.698 112.340 108.800 -0.264 0.000 2.308 428 G HA2 -0.293 3.654 3.960 -0.022 0.000 0.221 428 G HA3 -0.293 3.654 3.960 -0.022 0.000 0.221 428 G C -0.081 174.756 174.900 -0.106 0.000 1.032 428 G CA 0.058 44.996 45.100 -0.269 0.000 0.623 428 G HN 0.600 nan 8.290 nan 0.000 0.506 429 F N 4.644 124.505 119.950 -0.149 0.000 2.652 429 F HA 0.537 5.050 4.527 -0.023 0.000 0.352 429 F C 0.648 176.502 175.800 0.090 0.000 1.259 429 F CA -1.129 56.836 58.000 -0.059 0.000 1.249 429 F CB -0.137 38.870 39.000 0.011 0.000 1.628 429 F HN 0.107 nan 8.300 nan 0.000 0.654 430 E N 2.759 122.983 120.200 0.040 0.000 2.385 430 E HA 0.023 4.359 4.350 -0.022 0.000 0.254 430 E C 1.320 177.858 176.600 -0.102 0.000 1.228 430 E CA -0.399 56.010 56.400 0.015 0.000 0.956 430 E CB 0.473 30.250 29.700 0.129 0.000 1.116 430 E HN 0.516 nan 8.360 nan 0.000 0.507 431 M N 1.217 120.746 119.600 -0.118 0.000 2.082 431 M HA -0.199 4.268 4.480 -0.022 0.000 0.258 431 M C 1.082 177.292 176.300 -0.150 0.000 1.069 431 M CA 1.763 56.963 55.300 -0.166 0.000 1.102 431 M CB -0.486 32.000 32.600 -0.189 0.000 1.336 431 M HN 0.362 nan 8.290 nan 0.000 0.404 432 D N -0.806 119.497 120.400 -0.162 0.000 2.158 432 D HA -0.177 4.450 4.640 -0.022 0.000 0.197 432 D C 1.894 178.026 176.300 -0.281 0.000 0.995 432 D CA 1.547 55.389 54.000 -0.264 0.000 0.846 432 D CB -0.391 40.154 40.800 -0.425 0.000 0.941 432 D HN 0.428 nan 8.370 nan 0.000 0.456 433 F N 1.199 121.122 119.950 -0.045 0.000 2.163 433 F HA -0.000 4.513 4.527 -0.023 0.000 0.297 433 F C 2.551 178.341 175.800 -0.017 0.000 1.094 433 F CA 0.723 58.782 58.000 0.098 0.000 1.290 433 F CB -0.605 38.518 39.000 0.204 0.000 1.017 433 F HN -0.101 nan 8.300 nan 0.000 0.483 434 A N -0.049 122.627 122.820 -0.239 0.000 1.940 434 A HA -0.198 4.108 4.320 -0.022 0.000 0.219 434 A C 2.220 179.831 177.584 0.046 0.000 1.176 434 A CA 1.730 53.681 52.037 -0.142 0.000 0.631 434 A CB -0.565 18.355 19.000 -0.134 0.000 0.814 434 A HN 0.244 nan 8.150 nan 0.000 0.446 435 E N -0.564 119.677 120.200 0.068 0.000 2.077 435 E HA -0.174 4.162 4.350 -0.022 0.000 0.193 435 E C 1.994 178.645 176.600 0.085 0.000 0.989 435 E CA 1.300 57.754 56.400 0.091 0.000 0.800 435 E CB -0.490 29.235 29.700 0.042 0.000 0.746 435 E HN 0.543 nan 8.360 nan 0.000 0.452 436 L N 1.064 122.363 121.223 0.126 0.000 2.046 436 L HA -0.102 4.225 4.340 -0.022 0.000 0.208 436 L C 2.265 179.273 176.870 0.229 0.000 1.077 436 L CA 1.301 56.277 54.840 0.227 0.000 0.747 436 L CB -0.588 41.675 42.059 0.339 0.000 0.896 436 L HN 0.143 nan 8.230 nan 0.000 0.432 437 L N -0.949 120.313 121.223 0.064 0.000 2.042 437 L HA -0.253 4.074 4.340 -0.022 0.000 0.210 437 L C 2.450 179.245 176.870 -0.124 0.000 1.076 437 L CA 1.978 56.595 54.840 -0.372 0.000 0.749 437 L CB -0.346 41.422 42.059 -0.486 0.000 0.893 437 L HN 0.390 nan 8.230 nan 0.000 0.432 438 L N -0.381 120.820 121.223 -0.037 0.000 2.056 438 L HA -0.221 4.105 4.340 -0.022 0.000 0.207 438 L C 2.502 179.408 176.870 0.060 0.000 1.078 438 L CA 1.209 56.034 54.840 -0.025 0.000 0.749 438 L CB -0.432 41.579 42.059 -0.080 0.000 0.901 438 L HN 0.297 nan 8.230 nan 0.000 0.433 439 E N 0.080 120.326 120.200 0.076 0.000 2.085 439 E HA -0.239 4.098 4.350 -0.022 0.000 0.194 439 E C 1.690 178.364 176.600 0.123 0.000 0.994 439 E CA 1.442 57.901 56.400 0.097 0.000 0.801 439 E CB -0.025 29.738 29.700 0.104 0.000 0.743 439 E HN 0.442 nan 8.360 nan 0.000 0.453 440 D N -0.445 120.042 120.400 0.145 0.000 2.183 440 D HA -0.132 4.495 4.640 -0.022 0.000 0.203 440 D C 1.588 177.953 176.300 0.108 0.000 0.969 440 D CA 0.696 54.790 54.000 0.157 0.000 0.842 440 D CB -0.194 40.775 40.800 0.281 0.000 0.957 440 D HN 0.173 nan 8.370 nan 0.000 0.484 441 Y N 1.854 122.128 120.300 -0.043 0.000 2.163 441 Y HA -0.165 4.372 4.550 -0.023 0.000 0.288 441 Y C 2.070 177.961 175.900 -0.014 0.000 1.136 441 Y CA 1.541 59.611 58.100 -0.051 0.000 1.147 441 Y CB 0.065 38.475 38.460 -0.082 0.000 0.987 441 Y HN -0.162 nan 8.280 nan 0.000 0.509 442 K N -0.374 120.182 120.400 0.260 0.000 2.057 442 K HA -0.155 4.152 4.320 -0.022 0.000 0.207 442 K C 2.308 178.977 176.600 0.115 0.000 1.049 442 K CA 1.303 57.694 56.287 0.174 0.000 0.931 442 K CB -0.438 32.133 32.500 0.119 0.000 0.714 442 K HN 0.339 nan 8.250 nan 0.000 0.440 443 A N 0.861 123.743 122.820 0.103 0.000 1.972 443 A HA -0.133 4.174 4.320 -0.022 0.000 0.219 443 A C 2.149 179.789 177.584 0.094 0.000 1.169 443 A CA 1.691 53.786 52.037 0.098 0.000 0.635 443 A CB -0.418 18.637 19.000 0.091 0.000 0.810 443 A HN 0.164 nan 8.150 nan 0.000 0.446 444 S N -0.189 115.533 115.700 0.036 0.000 2.368 444 S HA -0.043 4.414 4.470 -0.022 0.000 0.224 444 S C 1.820 176.412 174.600 -0.013 0.000 1.029 444 S CA 1.215 59.408 58.200 -0.013 0.000 0.988 444 S CB -0.408 62.706 63.200 -0.143 0.000 0.838 444 S HN 0.537 nan 8.310 nan 0.000 0.462 445 L N 1.454 122.649 121.223 -0.048 0.000 2.012 445 L HA -0.173 4.154 4.340 -0.022 0.000 0.210 445 L C 2.630 179.531 176.870 0.053 0.000 1.073 445 L CA 1.459 56.270 54.840 -0.049 0.000 0.748 445 L CB -0.511 41.571 42.059 0.037 0.000 0.891 445 L HN 0.280 nan 8.230 nan 0.000 0.431 446 K N -0.586 119.870 120.400 0.093 0.000 2.057 446 K HA -0.262 4.044 4.320 -0.022 0.000 0.207 446 K C 2.307 178.985 176.600 0.131 0.000 1.049 446 K CA 1.708 58.056 56.287 0.101 0.000 0.931 446 K CB -0.273 32.290 32.500 0.105 0.000 0.714 446 K HN 0.131 nan 8.250 nan 0.000 0.440 447 Y N 1.500 121.841 120.300 0.068 0.000 2.145 447 Y HA -0.213 4.324 4.550 -0.022 0.000 0.286 447 Y C 1.947 177.954 175.900 0.179 0.000 1.145 447 Y CA 1.653 59.839 58.100 0.143 0.000 1.148 447 Y CB -0.236 38.280 38.460 0.093 0.000 0.981 447 Y HN 0.011 nan 8.280 nan 0.000 0.507 448 L N -0.963 120.385 121.223 0.209 0.000 2.079 448 L HA -0.263 4.064 4.340 -0.022 0.000 0.210 448 L C 2.754 179.676 176.870 0.087 0.000 1.081 448 L CA 1.756 56.678 54.840 0.137 0.000 0.752 448 L CB -0.703 41.406 42.059 0.082 0.000 0.896 448 L HN 0.249 nan 8.230 nan 0.000 0.433 449 S N -0.838 114.901 115.700 0.065 0.000 2.428 449 S HA -0.149 4.308 4.470 -0.022 0.000 0.230 449 S C 1.520 176.079 174.600 -0.068 0.000 1.014 449 S CA 1.189 59.409 58.200 0.033 0.000 0.957 449 S CB -0.105 63.125 63.200 0.049 0.000 0.784 449 S HN 0.383 nan 8.310 nan 0.000 0.499 450 D N 0.166 120.469 120.400 -0.162 0.000 2.271 450 D HA 0.104 4.730 4.640 -0.022 0.000 0.206 450 D C -0.136 175.759 176.300 -0.676 0.000 0.967 450 D CA 0.787 54.549 54.000 -0.398 0.000 0.867 450 D CB -0.018 40.512 40.800 -0.450 0.000 0.960 450 D HN 0.554 nan 8.370 nan 0.000 0.509 451 H N -0.821 118.093 119.070 -0.260 0.000 2.418 451 H HA 0.250 4.792 4.556 -0.022 0.000 0.238 451 H C -1.797 173.480 175.328 -0.086 0.000 1.403 451 H CA -1.478 54.442 56.048 -0.213 0.000 1.419 451 H CB 1.310 30.857 29.762 -0.358 0.000 1.463 451 H HN -0.074 nan 8.280 nan 0.000 0.515 452 P HA -0.153 nan 4.420 nan 0.000 0.222 452 P C 1.225 178.557 177.300 0.054 0.000 1.147 452 P CA 1.017 64.138 63.100 0.035 0.000 0.790 452 P CB 0.406 32.110 31.700 0.008 0.000 0.780 453 K N -0.469 119.964 120.400 0.054 0.000 2.362 453 K HA -0.105 4.202 4.320 -0.022 0.000 0.202 453 K C 1.786 178.428 176.600 0.071 0.000 1.045 453 K CA 0.806 57.127 56.287 0.057 0.000 0.936 453 K CB -0.606 31.927 32.500 0.055 0.000 0.747 453 K HN 0.226 nan 8.250 nan 0.000 0.467 454 L N 0.692 121.972 121.223 0.095 0.000 2.275 454 L HA -0.124 4.202 4.340 -0.022 0.000 0.215 454 L C 1.234 178.168 176.870 0.107 0.000 1.119 454 L CA 0.410 55.314 54.840 0.106 0.000 0.790 454 L CB -0.253 41.890 42.059 0.139 0.000 0.919 454 L HN 0.289 nan 8.230 nan 0.000 0.443 455 Q N 0.129 119.993 119.800 0.106 0.000 2.269 455 Q HA 0.083 4.409 4.340 -0.022 0.000 0.300 455 Q C 1.166 177.216 176.000 0.083 0.000 1.070 455 Q CA 0.964 56.831 55.803 0.106 0.000 0.957 455 Q CB 0.347 29.134 28.738 0.082 0.000 1.131 455 Q HN 0.383 nan 8.270 nan 0.000 0.377 456 G N 3.594 112.453 108.800 0.097 0.000 2.253 456 G HA2 -0.318 3.628 3.960 -0.022 0.000 0.251 456 G HA3 -0.318 3.628 3.960 -0.022 0.000 0.251 456 G C 0.682 175.617 174.900 0.058 0.000 0.998 456 G CA 0.360 45.506 45.100 0.078 0.000 0.621 456 G HN 0.703 nan 8.290 nan 0.000 0.524 457 I N 1.613 122.218 120.570 0.059 0.000 2.127 457 I HA 0.027 4.184 4.170 -0.022 0.000 0.241 457 I C 2.150 178.275 176.117 0.014 0.000 1.075 457 I CA 1.412 62.733 61.300 0.036 0.000 1.334 457 I CB -0.559 37.466 38.000 0.042 0.000 1.040 457 I HN 0.484 nan 8.210 nan 0.000 0.405 458 A N 1.418 124.259 122.820 0.035 0.000 2.354 458 A HA 0.311 4.618 4.320 -0.022 0.000 0.269 458 A C 0.534 178.020 177.584 -0.164 0.000 1.109 458 A CA -0.212 51.818 52.037 -0.011 0.000 0.800 458 A CB 0.263 19.305 19.000 0.069 0.000 1.045 458 A HN 0.537 nan 8.150 nan 0.000 0.489 459 Q N 0.667 120.265 119.800 -0.336 0.000 1.950 459 Q HA 0.220 4.547 4.340 -0.022 0.000 0.207 459 Q C -0.647 175.002 176.000 -0.583 0.000 0.813 459 Q CA -0.286 55.162 55.803 -0.592 0.000 0.989 459 Q CB 0.017 28.590 28.738 -0.274 0.000 1.241 459 Q HN 0.624 nan 8.270 nan 0.000 0.418 460 Q N 1.805 121.321 119.800 -0.474 0.000 2.309 460 Q HA 0.331 4.658 4.340 -0.022 0.000 0.270 460 Q C -1.069 174.910 176.000 -0.036 0.000 1.023 460 Q CA -0.212 55.477 55.803 -0.190 0.000 0.758 460 Q CB 1.152 29.845 28.738 -0.075 0.000 1.247 460 Q HN 0.118 nan 8.270 nan 0.000 0.455 461 N N 1.942 120.695 118.700 0.088 0.000 2.412 461 N HA 0.028 4.754 4.740 -0.022 0.000 0.254 461 N C -0.542 175.103 175.510 0.224 0.000 1.232 461 N CA 0.414 53.631 53.050 0.280 0.000 0.880 461 N CB 0.655 39.294 38.487 0.253 0.000 1.076 461 N HN 0.559 nan 8.380 nan 0.000 0.458 462 S N 1.378 117.244 115.700 0.276 0.000 2.593 462 S HA 0.100 4.556 4.470 -0.022 0.000 0.269 462 S C 0.300 175.028 174.600 0.212 0.000 1.334 462 S CA -0.593 57.748 58.200 0.235 0.000 1.015 462 S CB 0.321 63.661 63.200 0.234 0.000 0.912 462 S HN 0.439 nan 8.310 nan 0.000 0.541 463 F N 3.169 123.155 119.950 0.061 0.000 2.602 463 F HA 0.099 4.613 4.527 -0.022 0.000 0.385 463 F C 1.402 177.178 175.800 -0.039 0.000 1.063 463 F CA 0.113 58.140 58.000 0.046 0.000 1.233 463 F CB 0.398 39.438 39.000 0.067 0.000 1.067 463 F HN 0.642 nan 8.300 nan 0.000 0.564 464 K N 4.715 124.726 120.400 -0.649 0.000 2.373 464 K HA 0.076 4.382 4.320 -0.022 0.000 0.200 464 K C 0.784 176.879 176.600 -0.842 0.000 1.054 464 K CA 0.115 55.918 56.287 -0.807 0.000 1.065 464 K CB -0.133 31.665 32.500 -1.170 0.000 0.886 464 K HN 0.689 nan 8.250 nan 0.000 0.546 465 H N 0.522 118.953 119.070 -1.064 0.000 2.512 465 H HA 0.090 4.633 4.556 -0.022 0.000 0.279 465 H C 0.349 175.442 175.328 -0.392 0.000 0.999 465 H CA 1.069 56.722 56.048 -0.658 0.000 1.283 465 H CB 0.861 30.326 29.762 -0.495 0.000 1.421 465 H HN 0.226 nan 8.280 nan 0.000 0.554 466 T N 0.000 114.438 114.554 -0.194 0.000 3.816 466 T HA 0.000 4.337 4.350 -0.022 0.000 0.228 466 T CA 0.000 62.210 62.100 0.184 0.000 1.349 466 T CB 0.000 68.963 68.868 0.159 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658