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 3m7i_1_A DATA FIRST_RESID 2 DATA SEQUENCE NIQILQEQAN TLRFLSADXV QKANSGHPGA PLGLADILSV LSYHLKHNPK DATA SEQUENCE NPTWLNRDRL VFSGGHASAL LYSFLHLSGY DLSLEDLKNF RQLHSKTPGH DATA SEQUENCE PEISTLGVEI ATGPLGQGVA NAVGFAXAAK KAQNLLGSDL IDHKIYCLCG DATA SEQUENCE DGDLQEGISY EACSLAGLHK LDNFILIYDS NNISIEGDVG LAFNENVKXR DATA SEQUENCE FEAQGFEVLS INGHDYEEIN KALEQAKKST KPCLIIAKTT IAKGAGELEG DATA SEQUENCE SHKSHGAPLG EEVIKKAKEQ AGFDPNISFH IPQASKIRFE SAVELGDLEE DATA SEQUENCE AKWKDKLEKS AKKELLERLL NPDFNKIAYP DFKGKDLATR DSNGEILNVL DATA SEQUENCE AKNLEGFLGG SADLGPSNKT ELHSXGDFVE GKNIHFGIRE HAXAAINNAF DATA SEQUENCE ARYGIFLPFS ATFFIFSEYL KPAARIAALX KIKHFFIFTH DSIGVGEDGP DATA SEQUENCE THQPIEQLST FRAXPNFLTF RPADGVENVK AWQIALNADI PSAFVLSRQK DATA SEQUENCE LKALNEPVFG DVKNGAYLLK ESKEAKFTLL ASGSEVWLCL ESANELEKQG DATA SEQUENCE FACNVVSXPC FELFEKQDKA YQERLLKGEV IGVEAAHSNE LYKFCHKVYG DATA SEQUENCE IESFGESGKD KDVFERFGFS VSKLVNFILS K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.414 175.510 -0.159 0.000 1.280 2 N CA 0.000 52.974 53.050 -0.127 0.000 0.885 2 N CB 0.000 38.442 38.487 -0.075 0.000 1.341 3 I N 0.660 121.164 120.570 -0.110 0.000 2.353 3 I HA -0.127 4.034 4.170 -0.015 0.000 0.248 3 I C 2.253 178.289 176.117 -0.136 0.000 1.119 3 I CA 1.534 62.759 61.300 -0.125 0.000 1.417 3 I CB -1.505 36.495 38.000 0.000 0.000 1.078 3 I HN 0.543 nan 8.210 nan 0.000 0.421 4 Q N 0.438 120.196 119.800 -0.070 0.000 2.083 4 Q HA -0.113 4.217 4.340 -0.015 0.000 0.198 4 Q C 2.215 178.184 176.000 -0.051 0.000 0.969 4 Q CA 1.132 56.915 55.803 -0.034 0.000 0.838 4 Q CB -0.528 28.204 28.738 -0.009 0.000 0.900 4 Q HN 0.382 nan 8.270 nan 0.000 0.436 5 I N 0.102 120.628 120.570 -0.074 0.000 2.252 5 I HA -0.179 3.982 4.170 -0.015 0.000 0.245 5 I C 1.639 177.690 176.117 -0.110 0.000 1.102 5 I CA 1.280 62.542 61.300 -0.064 0.000 1.385 5 I CB -0.246 37.725 38.000 -0.047 0.000 1.064 5 I HN 0.173 nan 8.210 nan 0.000 0.414 6 L N -0.229 120.849 121.223 -0.241 0.000 2.083 6 L HA -0.229 4.102 4.340 -0.015 0.000 0.209 6 L C 2.588 179.239 176.870 -0.365 0.000 1.083 6 L CA 1.635 56.239 54.840 -0.393 0.000 0.752 6 L CB -0.682 40.922 42.059 -0.758 0.000 0.899 6 L HN 0.395 nan 8.230 nan 0.000 0.433 7 Q N 0.091 119.707 119.800 -0.306 0.000 2.084 7 Q HA -0.268 4.063 4.340 -0.015 0.000 0.202 7 Q C 2.157 178.223 176.000 0.111 0.000 0.978 7 Q CA 1.775 57.568 55.803 -0.017 0.000 0.844 7 Q CB 0.046 28.827 28.738 0.071 0.000 0.898 7 Q HN 0.476 nan 8.270 nan 0.000 0.426 8 E N -0.181 120.085 120.200 0.110 0.000 2.072 8 E HA -0.222 4.119 4.350 -0.015 0.000 0.191 8 E C 2.043 178.807 176.600 0.273 0.000 0.985 8 E CA 0.936 57.480 56.400 0.240 0.000 0.801 8 E CB 0.077 29.875 29.700 0.165 0.000 0.750 8 E HN 0.432 nan 8.360 nan 0.000 0.452 9 Q N 0.032 119.931 119.800 0.165 0.000 2.045 9 Q HA -0.220 4.111 4.340 -0.015 0.000 0.206 9 Q C 2.241 178.455 176.000 0.356 0.000 0.991 9 Q CA 1.707 57.662 55.803 0.253 0.000 0.851 9 Q CB -0.257 28.460 28.738 -0.036 0.000 0.911 9 Q HN 0.332 nan 8.270 nan 0.000 0.418 10 A N 1.373 124.333 122.820 0.233 0.000 1.908 10 A HA -0.238 4.073 4.320 -0.015 0.000 0.218 10 A C 1.760 179.370 177.584 0.042 0.000 1.181 10 A CA 1.804 53.953 52.037 0.186 0.000 0.627 10 A CB -0.577 18.566 19.000 0.239 0.000 0.818 10 A HN 0.327 nan 8.150 nan 0.000 0.445 11 N N -0.485 118.230 118.700 0.025 0.000 2.244 11 N HA -0.079 4.652 4.740 -0.015 0.000 0.183 11 N C 1.679 177.020 175.510 -0.281 0.000 1.016 11 N CA 1.676 54.567 53.050 -0.264 0.000 0.866 11 N CB -0.676 37.735 38.487 -0.128 0.000 0.980 11 N HN 0.514 nan 8.380 nan 0.000 0.430 12 T N 1.754 116.402 114.554 0.156 0.000 2.708 12 T HA -0.010 4.330 4.350 -0.015 0.000 0.266 12 T C 2.135 176.892 174.700 0.094 0.000 1.037 12 T CA 0.668 62.943 62.100 0.291 0.000 1.146 12 T CB -0.220 68.899 68.868 0.419 0.000 0.865 12 T HN 0.139 nan 8.240 nan 0.000 0.435 13 L N 0.343 121.603 121.223 0.061 0.000 2.046 13 L HA -0.111 4.220 4.340 -0.015 0.000 0.208 13 L C 2.936 179.730 176.870 -0.127 0.000 1.077 13 L CA 1.432 56.261 54.840 -0.017 0.000 0.747 13 L CB -0.482 41.603 42.059 0.042 0.000 0.896 13 L HN 0.177 nan 8.230 nan 0.000 0.432 14 R N -0.569 119.771 120.500 -0.268 0.000 2.080 14 R HA -0.170 4.161 4.340 -0.015 0.000 0.236 14 R C 2.215 178.259 176.300 -0.426 0.000 1.137 14 R CA 1.677 57.508 56.100 -0.449 0.000 0.943 14 R CB -0.452 29.372 30.300 -0.794 0.000 0.846 14 R HN 0.208 nan 8.270 nan 0.000 0.431 15 F N 0.580 120.413 119.950 -0.194 0.000 2.367 15 F HA 0.035 4.553 4.527 -0.015 0.000 0.298 15 F C 2.126 177.791 175.800 -0.225 0.000 1.094 15 F CA 0.450 58.317 58.000 -0.222 0.000 1.409 15 F CB -0.493 38.334 39.000 -0.288 0.000 1.064 15 F HN -0.064 nan 8.300 nan 0.000 0.528 16 L N -0.793 120.411 121.223 -0.032 0.000 2.017 16 L HA -0.245 4.086 4.340 -0.015 0.000 0.208 16 L C 2.513 179.260 176.870 -0.204 0.000 1.073 16 L CA 1.500 56.260 54.840 -0.133 0.000 0.745 16 L CB -0.882 41.167 42.059 -0.018 0.000 0.894 16 L HN 0.070 nan 8.230 nan 0.000 0.432 17 S N -0.031 115.570 115.700 -0.164 0.000 2.359 17 S HA -0.205 4.256 4.470 -0.015 0.000 0.224 17 S C 2.145 176.630 174.600 -0.192 0.000 1.035 17 S CA 1.322 59.401 58.200 -0.201 0.000 1.018 17 S CB -0.365 62.736 63.200 -0.164 0.000 0.876 17 S HN 0.517 nan 8.310 nan 0.000 0.448 18 A N 1.675 124.413 122.820 -0.137 0.000 1.898 18 A HA -0.038 4.273 4.320 -0.015 0.000 0.216 18 A C 1.100 178.614 177.584 -0.117 0.000 1.181 18 A CA 0.909 52.897 52.037 -0.081 0.000 0.620 18 A CB -0.451 18.556 19.000 0.012 0.000 0.819 18 A HN 0.338 nan 8.150 nan 0.000 0.442 22 Q N 1.494 121.339 119.800 0.077 0.000 2.084 22 Q HA -0.142 4.189 4.340 -0.015 0.000 0.202 22 Q C 1.969 178.033 176.000 0.107 0.000 0.978 22 Q CA 2.562 58.405 55.803 0.066 0.000 0.844 22 Q CB -0.204 28.549 28.738 0.026 0.000 0.898 22 Q HN 0.628 nan 8.270 nan 0.000 0.426 23 K N -1.045 119.454 120.400 0.166 0.000 2.062 23 K HA -0.027 4.284 4.320 -0.015 0.000 0.205 23 K C 1.778 178.475 176.600 0.161 0.000 1.051 23 K CA 1.070 57.473 56.287 0.194 0.000 0.941 23 K CB -0.233 32.457 32.500 0.317 0.000 0.719 23 K HN 0.224 nan 8.250 nan 0.000 0.440 24 A N 1.223 124.166 122.820 0.205 0.000 2.067 24 A HA -0.143 4.168 4.320 -0.015 0.000 0.219 24 A C 0.834 178.467 177.584 0.082 0.000 1.158 24 A CA 1.260 53.386 52.037 0.149 0.000 0.661 24 A CB -0.575 18.550 19.000 0.209 0.000 0.801 24 A HN 0.689 nan 8.150 nan 0.000 0.452 25 N N -1.335 117.415 118.700 0.084 0.000 2.721 25 N HA -0.168 4.563 4.740 -0.015 0.000 0.249 25 N C -0.384 175.141 175.510 0.025 0.000 1.072 25 N CA 1.126 54.204 53.050 0.046 0.000 0.710 25 N CB -1.420 37.085 38.487 0.030 0.000 0.993 25 N HN 0.593 nan 8.380 nan 0.000 0.547 26 S N -1.644 114.081 115.700 0.042 0.000 2.556 26 S HA 0.705 5.166 4.470 -0.015 0.000 0.280 26 S C -0.236 174.386 174.600 0.037 0.000 1.141 26 S CA 0.669 58.865 58.200 -0.006 0.000 0.883 26 S CB 1.137 64.310 63.200 -0.045 0.000 1.103 26 S HN 1.325 nan 8.310 nan 0.000 0.453 27 G N 2.796 111.556 108.800 -0.068 0.000 2.343 27 G HA2 0.181 4.132 3.960 -0.015 0.000 0.562 27 G HA3 0.181 4.132 3.960 -0.015 0.000 0.562 27 G C -1.950 172.817 174.900 -0.222 0.000 1.269 27 G CA -0.764 44.333 45.100 -0.004 0.000 1.011 27 G HN 0.995 nan 8.290 nan 0.000 0.498 28 H N 1.258 120.373 119.070 0.076 0.000 2.786 28 H HA 0.513 5.060 4.556 -0.015 0.000 0.284 28 H C -1.646 173.672 175.328 -0.016 0.000 1.104 28 H CA -1.233 54.799 56.048 -0.027 0.000 1.339 28 H CB 2.097 31.842 29.762 -0.027 0.000 1.427 28 H HN 0.353 nan 8.280 nan 0.000 0.497 29 P HA 0.035 nan 4.420 nan 0.000 0.239 29 P C 1.535 178.843 177.300 0.014 0.000 1.188 29 P CA 0.528 63.636 63.100 0.013 0.000 0.794 29 P CB 0.613 32.310 31.700 -0.005 0.000 0.937 30 G N 1.290 110.117 108.800 0.044 0.000 2.414 30 G HA2 -0.204 3.747 3.960 -0.015 0.000 0.215 30 G HA3 -0.204 3.747 3.960 -0.015 0.000 0.215 30 G C 1.779 176.714 174.900 0.058 0.000 1.188 30 G CA 1.093 46.227 45.100 0.058 0.000 0.783 30 G HN 0.308 nan 8.290 nan 0.000 0.537 31 A N 1.522 124.394 122.820 0.086 0.000 1.902 31 A HA 0.082 4.393 4.320 -0.015 0.000 0.217 31 A C 0.759 178.336 177.584 -0.012 0.000 1.181 31 A CA 1.957 54.020 52.037 0.044 0.000 0.623 31 A CB -1.167 17.845 19.000 0.021 0.000 0.818 31 A HN 0.366 nan 8.150 nan 0.000 0.443 32 P HA -0.143 nan 4.420 nan 0.000 0.215 32 P C 1.304 178.576 177.300 -0.047 0.000 1.157 32 P CA 0.874 63.951 63.100 -0.038 0.000 0.874 32 P CB -0.043 31.619 31.700 -0.063 0.000 0.790 33 L N -1.066 120.126 121.223 -0.052 0.000 2.093 33 L HA -0.027 4.304 4.340 -0.015 0.000 0.208 33 L C 2.482 179.342 176.870 -0.016 0.000 1.085 33 L CA 2.137 56.932 54.840 -0.075 0.000 0.755 33 L CB -1.915 40.093 42.059 -0.086 0.000 0.904 33 L HN 0.006 nan 8.230 nan 0.000 0.435 34 G N -1.387 107.426 108.800 0.022 0.000 2.443 34 G HA2 -0.140 3.810 3.960 -0.015 0.000 0.219 34 G HA3 -0.140 3.810 3.960 -0.015 0.000 0.219 34 G C 1.538 176.462 174.900 0.040 0.000 1.131 34 G CA 0.350 45.504 45.100 0.090 0.000 0.775 34 G HN 0.351 nan 8.290 nan 0.000 0.547 35 L N 0.359 121.567 121.223 -0.024 0.000 2.585 35 L HA 0.286 4.617 4.340 -0.015 0.000 0.226 35 L C 2.985 179.827 176.870 -0.045 0.000 1.113 35 L CA 0.316 55.109 54.840 -0.078 0.000 0.876 35 L CB 0.160 42.145 42.059 -0.123 0.000 1.072 35 L HN 0.242 nan 8.230 nan 0.000 0.468 36 A N 0.252 123.072 122.820 -0.000 0.000 1.933 36 A HA -0.209 4.102 4.320 -0.015 0.000 0.218 36 A C 1.847 179.490 177.584 0.099 0.000 1.175 36 A CA 1.795 53.849 52.037 0.029 0.000 0.628 36 A CB -0.279 18.711 19.000 -0.016 0.000 0.814 36 A HN 0.338 nan 8.150 nan 0.000 0.444 37 D N 0.115 120.586 120.400 0.118 0.000 2.097 37 D HA -0.107 4.524 4.640 -0.015 0.000 0.197 37 D C 1.906 178.286 176.300 0.133 0.000 0.984 37 D CA 1.225 55.343 54.000 0.198 0.000 0.826 37 D CB -0.383 40.449 40.800 0.052 0.000 0.973 37 D HN 0.518 nan 8.370 nan 0.000 0.460 38 I N 0.637 121.202 120.570 -0.009 0.000 2.127 38 I HA -0.267 3.894 4.170 -0.015 0.000 0.241 38 I C 2.408 178.496 176.117 -0.048 0.000 1.075 38 I CA 0.700 61.964 61.300 -0.061 0.000 1.334 38 I CB -0.148 37.762 38.000 -0.150 0.000 1.040 38 I HN -0.010 nan 8.210 nan 0.000 0.405 39 L N 0.144 121.328 121.223 -0.065 0.000 2.141 39 L HA -0.145 4.186 4.340 -0.015 0.000 0.209 39 L C 2.574 179.467 176.870 0.039 0.000 1.094 39 L CA 1.690 56.461 54.840 -0.115 0.000 0.763 39 L CB -0.592 41.378 42.059 -0.148 0.000 0.908 39 L HN 0.091 nan 8.230 nan 0.000 0.437 40 S N -1.043 114.765 115.700 0.181 0.000 2.359 40 S HA -0.188 4.273 4.470 -0.015 0.000 0.224 40 S C 1.940 176.726 174.600 0.311 0.000 1.035 40 S CA 1.624 60.004 58.200 0.300 0.000 1.018 40 S CB -0.467 62.901 63.200 0.280 0.000 0.876 40 S HN 0.365 nan 8.310 nan 0.000 0.448 41 V N 1.641 121.704 119.914 0.248 0.000 2.358 41 V HA -0.085 4.026 4.120 -0.015 0.000 0.246 41 V C 2.215 178.497 176.094 0.313 0.000 1.047 41 V CA 1.329 63.789 62.300 0.267 0.000 1.035 41 V CB -0.722 31.207 31.823 0.177 0.000 0.658 41 V HN 0.355 nan 8.190 nan 0.000 0.452 42 L N 1.507 122.794 121.223 0.108 0.000 2.127 42 L HA -0.174 4.157 4.340 -0.015 0.000 0.211 42 L C 2.687 179.596 176.870 0.066 0.000 1.089 42 L CA 2.339 57.166 54.840 -0.022 0.000 0.757 42 L CB -0.758 41.139 42.059 -0.270 0.000 0.899 42 L HN 0.526 nan 8.230 nan 0.000 0.434 43 S N -1.802 113.983 115.700 0.142 0.000 2.419 43 S HA -0.262 4.199 4.470 -0.015 0.000 0.235 43 S C 1.942 176.617 174.600 0.125 0.000 1.019 43 S CA 1.326 59.667 58.200 0.234 0.000 0.982 43 S CB -1.051 62.414 63.200 0.441 0.000 0.789 43 S HN 0.599 nan 8.310 nan 0.000 0.490 44 Y N 0.858 121.222 120.300 0.108 0.000 2.516 44 Y HA 0.104 4.645 4.550 -0.015 0.000 0.291 44 Y C 2.709 178.551 175.900 -0.096 0.000 1.131 44 Y CA 1.253 59.345 58.100 -0.012 0.000 1.281 44 Y CB -0.154 38.241 38.460 -0.109 0.000 1.013 44 Y HN 0.479 nan 8.280 nan 0.000 0.554 45 H N -1.756 117.413 119.070 0.165 0.000 2.681 45 H HA 0.116 4.663 4.556 -0.015 0.000 0.268 45 H C 0.428 175.832 175.328 0.127 0.000 0.967 45 H CA -0.160 55.963 56.048 0.125 0.000 1.233 45 H CB 0.223 30.023 29.762 0.063 0.000 1.445 45 H HN 0.070 nan 8.280 nan 0.000 0.494 46 L N 3.308 124.634 121.223 0.172 0.000 2.559 46 L HA -0.028 4.303 4.340 -0.015 0.000 0.274 46 L C 0.155 177.231 176.870 0.343 0.000 1.205 46 L CA 0.485 55.423 54.840 0.163 0.000 0.907 46 L CB 0.289 42.328 42.059 -0.034 0.000 1.153 46 L HN -0.071 nan 8.230 nan 0.000 0.490 47 K N 5.943 126.556 120.400 0.355 0.000 2.281 47 K HA 0.420 4.731 4.320 -0.015 0.000 0.272 47 K C -0.996 175.908 176.600 0.507 0.000 1.048 47 K CA -0.444 56.092 56.287 0.415 0.000 0.898 47 K CB 0.796 33.502 32.500 0.343 0.000 1.128 47 K HN 0.886 nan 8.250 nan 0.000 0.460 48 H N -0.694 118.577 119.070 0.334 0.000 3.042 48 H HA 0.332 4.879 4.556 -0.015 0.000 0.346 48 H C -1.407 174.065 175.328 0.240 0.000 1.294 48 H CA -1.217 55.032 56.048 0.336 0.000 1.141 48 H CB 1.288 31.215 29.762 0.275 0.000 1.872 48 H HN 0.297 nan 8.280 nan 0.000 0.541 49 N N 1.794 120.587 118.700 0.155 0.000 2.564 49 N HA 0.283 5.014 4.740 -0.015 0.000 0.248 49 N C -2.228 173.086 175.510 -0.326 0.000 0.986 49 N CA -2.815 50.139 53.050 -0.160 0.000 0.921 49 N CB 1.670 40.062 38.487 -0.159 0.000 1.136 49 N HN 0.405 nan 8.380 nan 0.000 0.509 50 P HA -0.114 nan 4.420 nan 0.000 0.218 50 P C 0.600 177.501 177.300 -0.664 0.000 1.146 50 P CA 1.194 63.591 63.100 -1.172 0.000 0.813 50 P CB 0.423 31.560 31.700 -0.937 0.000 0.778 51 K N -1.940 118.240 120.400 -0.367 0.000 2.393 51 K HA 0.111 4.422 4.320 -0.015 0.000 0.193 51 K C 0.461 176.980 176.600 -0.134 0.000 1.026 51 K CA 0.355 56.513 56.287 -0.215 0.000 1.064 51 K CB -0.173 32.224 32.500 -0.172 0.000 0.833 51 K HN 0.085 nan 8.250 nan 0.000 0.521 52 N N 0.757 119.386 118.700 -0.119 0.000 2.707 52 N HA 0.191 4.922 4.740 -0.015 0.000 0.249 52 N C -2.581 172.960 175.510 0.052 0.000 1.299 52 N CA -1.701 51.335 53.050 -0.024 0.000 0.769 52 N CB 1.336 39.811 38.487 -0.020 0.000 1.236 52 N HN -0.244 nan 8.380 nan 0.000 0.524 53 P HA -0.036 nan 4.420 nan 0.000 0.231 53 P C 0.849 178.200 177.300 0.084 0.000 1.158 53 P CA 1.076 64.270 63.100 0.157 0.000 0.763 53 P CB 0.156 31.992 31.700 0.228 0.000 0.805 54 T N -6.753 107.840 114.554 0.064 0.000 3.086 54 T HA 0.019 4.360 4.350 -0.015 0.000 0.250 54 T C 0.182 174.886 174.700 0.008 0.000 1.074 54 T CA -0.645 61.465 62.100 0.017 0.000 0.988 54 T CB -0.718 68.170 68.868 0.032 0.000 0.988 54 T HN -0.044 nan 8.240 nan 0.000 0.530 55 W N 2.351 123.549 121.300 -0.170 0.000 2.417 55 W HA 0.293 4.944 4.660 -0.015 0.000 0.332 55 W C 0.869 177.133 176.519 -0.425 0.000 1.413 55 W CA -2.099 55.080 57.345 -0.277 0.000 1.299 55 W CB 0.035 29.345 29.460 -0.249 0.000 1.304 55 W HN 0.145 nan 8.180 nan 0.000 0.565 56 L N 5.451 126.298 121.223 -0.628 0.000 2.141 56 L HA -0.128 4.203 4.340 -0.015 0.000 0.209 56 L C 1.627 177.873 176.870 -1.039 0.000 1.094 56 L CA 1.984 56.396 54.840 -0.713 0.000 0.763 56 L CB -0.772 41.065 42.059 -0.371 0.000 0.908 56 L HN 0.648 nan 8.230 nan 0.000 0.437 57 N N -0.171 117.521 118.700 -1.680 0.000 2.295 57 N HA 0.030 4.761 4.740 -0.015 0.000 0.221 57 N C 0.009 174.476 175.510 -1.739 0.000 1.129 57 N CA -0.259 51.959 53.050 -1.387 0.000 0.836 57 N CB -0.010 37.851 38.487 -1.044 0.000 1.040 57 N HN 0.347 nan 8.380 nan 0.000 0.494 58 R N -0.342 119.031 120.500 -1.878 0.000 2.679 58 R HA 0.110 4.441 4.340 -0.015 0.000 0.268 58 R C -0.834 175.028 176.300 -0.729 0.000 1.044 58 R CA -0.266 55.158 56.100 -1.127 0.000 1.105 58 R CB 0.255 30.245 30.300 -0.518 0.000 0.989 58 R HN 0.010 nan 8.270 nan 0.000 0.447 59 D N 1.978 122.219 120.400 -0.265 0.000 2.455 59 D HA 0.031 4.662 4.640 -0.015 0.000 0.241 59 D C -0.145 176.087 176.300 -0.113 0.000 1.138 59 D CA 0.361 54.337 54.000 -0.040 0.000 0.877 59 D CB 0.592 41.521 40.800 0.215 0.000 1.187 59 D HN 0.260 nan 8.370 nan 0.000 0.451 60 R N 2.175 122.608 120.500 -0.112 0.000 2.207 60 R HA 0.327 4.658 4.340 -0.015 0.000 0.334 60 R C -0.438 175.876 176.300 0.024 0.000 1.013 60 R CA -0.960 55.020 56.100 -0.200 0.000 0.858 60 R CB 0.590 30.609 30.300 -0.469 0.000 1.094 60 R HN 0.283 nan 8.270 nan 0.000 0.457 61 L N 3.987 125.242 121.223 0.053 0.000 2.272 61 L HA 0.370 4.701 4.340 -0.015 0.000 0.289 61 L C -0.885 176.102 176.870 0.195 0.000 1.032 61 L CA -0.549 54.384 54.840 0.156 0.000 0.810 61 L CB 1.692 43.835 42.059 0.139 0.000 1.205 61 L HN 0.277 nan 8.230 nan 0.000 0.422 62 V N 5.839 125.901 119.914 0.246 0.000 2.448 62 V HA 0.378 4.489 4.120 -0.015 0.000 0.295 62 V C -0.531 175.739 176.094 0.294 0.000 1.025 62 V CA -0.411 62.067 62.300 0.297 0.000 0.859 62 V CB 1.318 33.331 31.823 0.316 0.000 0.988 62 V HN 0.481 nan 8.190 nan 0.000 0.431 63 F N 2.942 122.918 119.950 0.044 0.000 2.406 63 F HA 0.277 4.795 4.527 -0.016 0.000 0.358 63 F C 1.623 177.439 175.800 0.028 0.000 1.161 63 F CA 0.064 58.063 58.000 -0.002 0.000 1.185 63 F CB 1.366 40.328 39.000 -0.064 0.000 1.421 63 F HN 0.565 nan 8.300 nan 0.000 0.576 64 S N 2.582 118.362 115.700 0.134 0.000 2.402 64 S HA -0.033 4.428 4.470 -0.015 0.000 0.229 64 S C 1.597 176.270 174.600 0.123 0.000 1.021 64 S CA 0.871 59.146 58.200 0.125 0.000 0.974 64 S CB -0.353 62.904 63.200 0.095 0.000 0.800 64 S HN 0.690 nan 8.310 nan 0.000 0.484 65 G N 0.322 109.172 108.800 0.084 0.000 2.865 65 G HA2 0.439 4.390 3.960 -0.015 0.000 0.292 65 G HA3 0.439 4.390 3.960 -0.015 0.000 0.292 65 G C 0.883 175.790 174.900 0.012 0.000 0.800 65 G CA -0.046 45.093 45.100 0.065 0.000 1.838 65 G HN 0.416 nan 8.290 nan 0.000 0.535 66 G N 1.761 110.664 108.800 0.172 0.000 2.509 66 G HA2 -0.202 3.749 3.960 -0.015 0.000 0.218 66 G HA3 -0.202 3.749 3.960 -0.015 0.000 0.218 66 G C 1.469 176.417 174.900 0.081 0.000 1.124 66 G CA 0.988 46.199 45.100 0.186 0.000 0.776 66 G HN 0.834 nan 8.290 nan 0.000 0.547 67 H N 0.084 119.157 119.070 0.004 0.000 2.518 67 H HA 0.174 4.720 4.556 -0.015 0.000 0.289 67 H C 2.068 177.244 175.328 -0.253 0.000 1.051 67 H CA 0.848 56.647 56.048 -0.415 0.000 1.280 67 H CB -0.611 28.649 29.762 -0.836 0.000 1.380 67 H HN 0.264 nan 8.280 nan 0.000 0.566 68 A N 1.763 124.284 122.820 -0.499 0.000 2.265 68 A HA 0.022 4.333 4.320 -0.015 0.000 0.213 68 A C 2.378 179.849 177.584 -0.188 0.000 1.255 68 A CA 0.567 52.464 52.037 -0.234 0.000 0.862 68 A CB -0.706 18.207 19.000 -0.144 0.000 0.852 68 A HN 0.658 nan 8.150 nan 0.000 0.484 69 S N 0.317 115.849 115.700 -0.278 0.000 2.374 69 S HA -0.217 4.244 4.470 -0.015 0.000 0.227 69 S C 2.044 176.218 174.600 -0.711 0.000 1.037 69 S CA 1.377 59.237 58.200 -0.566 0.000 1.024 69 S CB -0.748 62.212 63.200 -0.400 0.000 0.861 69 S HN 0.981 nan 8.310 nan 0.000 0.456 70 A N 1.661 124.241 122.820 -0.400 0.000 1.940 70 A HA 0.008 4.319 4.320 -0.015 0.000 0.219 70 A C 2.233 179.638 177.584 -0.298 0.000 1.176 70 A CA 1.678 53.426 52.037 -0.482 0.000 0.631 70 A CB -0.829 17.804 19.000 -0.612 0.000 0.814 70 A HN 0.534 nan 8.150 nan 0.000 0.446 71 L N -0.965 120.118 121.223 -0.233 0.000 2.027 71 L HA -0.069 4.262 4.340 -0.015 0.000 0.206 71 L C 2.237 179.014 176.870 -0.156 0.000 1.074 71 L CA 1.932 56.705 54.840 -0.111 0.000 0.745 71 L CB -0.642 41.442 42.059 0.041 0.000 0.898 71 L HN 0.335 nan 8.230 nan 0.000 0.433 72 L N -1.047 119.872 121.223 -0.507 0.000 2.013 72 L HA -0.282 4.049 4.340 -0.015 0.000 0.212 72 L C 2.384 179.133 176.870 -0.202 0.000 1.073 72 L CA 2.005 56.442 54.840 -0.671 0.000 0.753 72 L CB -1.051 40.259 42.059 -1.248 0.000 0.890 72 L HN 0.335 nan 8.230 nan 0.000 0.432 73 Y N -0.521 119.670 120.300 -0.181 0.000 2.224 73 Y HA -0.141 4.400 4.550 -0.015 0.000 0.289 73 Y C 2.820 178.687 175.900 -0.055 0.000 1.146 73 Y CA 0.986 59.024 58.100 -0.104 0.000 1.182 73 Y CB -1.405 37.008 38.460 -0.078 0.000 0.983 73 Y HN 0.217 nan 8.280 nan 0.000 0.524 74 S N 0.062 115.815 115.700 0.089 0.000 2.356 74 S HA -0.203 4.258 4.470 -0.015 0.000 0.223 74 S C 1.888 176.494 174.600 0.010 0.000 1.032 74 S CA 1.411 59.642 58.200 0.052 0.000 1.005 74 S CB -0.818 62.378 63.200 -0.007 0.000 0.867 74 S HN 0.476 nan 8.310 nan 0.000 0.449 75 F N 2.296 122.153 119.950 -0.156 0.000 2.134 75 F HA -0.027 4.491 4.527 -0.016 0.000 0.299 75 F C 1.783 177.525 175.800 -0.096 0.000 1.097 75 F CA 1.118 58.994 58.000 -0.206 0.000 1.264 75 F CB -0.434 38.494 39.000 -0.120 0.000 1.001 75 F HN 0.089 nan 8.300 nan 0.000 0.479 76 L N -0.552 120.535 121.223 -0.226 0.000 2.056 76 L HA -0.248 4.083 4.340 -0.015 0.000 0.207 76 L C 2.762 179.591 176.870 -0.069 0.000 1.078 76 L CA 1.686 56.350 54.840 -0.293 0.000 0.749 76 L CB -1.163 40.742 42.059 -0.256 0.000 0.901 76 L HN 0.315 nan 8.230 nan 0.000 0.433 77 H N 0.854 119.872 119.070 -0.087 0.000 2.290 77 H HA -0.181 4.366 4.556 -0.015 0.000 0.298 77 H C 2.317 177.593 175.328 -0.086 0.000 1.087 77 H CA 1.931 57.950 56.048 -0.049 0.000 1.291 77 H CB 0.031 29.776 29.762 -0.028 0.000 1.369 77 H HN 0.244 nan 8.280 nan 0.000 0.492 78 L N 0.347 121.378 121.223 -0.320 0.000 2.131 78 L HA -0.142 4.189 4.340 -0.015 0.000 0.210 78 L C 2.683 179.387 176.870 -0.275 0.000 1.092 78 L CA 1.260 55.876 54.840 -0.374 0.000 0.759 78 L CB -0.251 41.483 42.059 -0.541 0.000 0.903 78 L HN 0.182 nan 8.230 nan 0.000 0.435 79 S N -0.698 114.812 115.700 -0.316 0.000 2.522 79 S HA 0.117 4.577 4.470 -0.015 0.000 0.227 79 S C 1.456 175.959 174.600 -0.161 0.000 0.986 79 S CA 0.812 58.897 58.200 -0.191 0.000 0.929 79 S CB 0.349 63.383 63.200 -0.277 0.000 0.769 79 S HN 0.669 nan 8.310 nan 0.000 0.529 80 G N -0.087 108.614 108.800 -0.165 0.000 2.168 80 G HA2 -0.209 3.742 3.960 -0.015 0.000 0.197 80 G HA3 -0.209 3.742 3.960 -0.015 0.000 0.197 80 G C -0.071 174.732 174.900 -0.162 0.000 0.997 80 G CA -0.583 44.406 45.100 -0.185 0.000 0.658 80 G HN 0.421 nan 8.290 nan 0.000 0.513 81 Y N 0.626 120.845 120.300 -0.134 0.000 2.296 81 Y HA 0.417 4.958 4.550 -0.016 0.000 0.343 81 Y C 1.114 176.990 175.900 -0.041 0.000 1.292 81 Y CA 0.376 58.434 58.100 -0.070 0.000 1.490 81 Y CB 0.506 38.937 38.460 -0.049 0.000 1.359 81 Y HN 0.069 nan 8.280 nan 0.000 0.599 82 D N 1.836 122.327 120.400 0.151 0.000 2.767 82 D HA 0.171 4.802 4.640 -0.015 0.000 0.231 82 D C -1.657 174.697 176.300 0.090 0.000 1.105 82 D CA 0.206 54.257 54.000 0.085 0.000 1.024 82 D CB -0.946 39.891 40.800 0.061 0.000 1.123 82 D HN 0.272 nan 8.370 nan 0.000 0.470 83 L N 1.600 122.891 121.223 0.115 0.000 2.476 83 L HA 0.405 4.736 4.340 -0.015 0.000 0.269 83 L C -0.357 176.624 176.870 0.186 0.000 0.965 83 L CA -0.509 54.385 54.840 0.090 0.000 0.845 83 L CB 1.735 43.831 42.059 0.062 0.000 1.259 83 L HN 0.123 nan 8.230 nan 0.000 0.403 84 S N 3.463 119.210 115.700 0.078 0.000 2.713 84 S HA 0.387 4.848 4.470 -0.015 0.000 0.283 84 S C 0.916 175.356 174.600 -0.268 0.000 1.161 84 S CA -0.563 57.665 58.200 0.046 0.000 0.999 84 S CB 1.204 64.406 63.200 0.005 0.000 1.039 84 S HN 0.706 nan 8.310 nan 0.000 0.548 85 L N 1.051 122.019 121.223 -0.424 0.000 2.083 85 L HA 0.007 4.338 4.340 -0.015 0.000 0.209 85 L C 2.630 179.322 176.870 -0.297 0.000 1.083 85 L CA 2.153 56.710 54.840 -0.472 0.000 0.752 85 L CB -0.935 40.954 42.059 -0.285 0.000 0.899 85 L HN 1.019 nan 8.230 nan 0.000 0.433 86 E N -0.852 119.226 120.200 -0.205 0.000 2.118 86 E HA -0.255 4.086 4.350 -0.015 0.000 0.195 86 E C 1.617 178.120 176.600 -0.160 0.000 0.992 86 E CA 1.372 57.660 56.400 -0.185 0.000 0.804 86 E CB -0.006 29.625 29.700 -0.115 0.000 0.741 86 E HN 0.551 nan 8.360 nan 0.000 0.458 87 D N 0.531 120.852 120.400 -0.132 0.000 2.123 87 D HA -0.177 4.454 4.640 -0.015 0.000 0.196 87 D C 2.105 178.349 176.300 -0.093 0.000 0.992 87 D CA 0.896 54.834 54.000 -0.105 0.000 0.833 87 D CB -0.205 40.534 40.800 -0.101 0.000 0.954 87 D HN 0.303 nan 8.370 nan 0.000 0.455 88 L N 0.450 121.604 121.223 -0.116 0.000 2.083 88 L HA -0.139 4.192 4.340 -0.015 0.000 0.209 88 L C 2.176 179.066 176.870 0.034 0.000 1.083 88 L CA 1.102 55.937 54.840 -0.009 0.000 0.752 88 L CB -0.372 41.702 42.059 0.025 0.000 0.899 88 L HN -0.042 nan 8.230 nan 0.000 0.433 89 K N 0.239 120.494 120.400 -0.241 0.000 2.439 89 K HA -0.078 4.233 4.320 -0.015 0.000 0.197 89 K C 0.655 177.220 176.600 -0.058 0.000 1.041 89 K CA 0.764 56.850 56.287 -0.334 0.000 0.970 89 K CB -0.144 31.997 32.500 -0.598 0.000 0.773 89 K HN 0.324 nan 8.250 nan 0.000 0.479 90 N N 0.295 118.991 118.700 -0.007 0.000 2.273 90 N HA 0.054 4.785 4.740 -0.015 0.000 0.231 90 N C -0.779 174.799 175.510 0.114 0.000 1.134 90 N CA -0.361 52.711 53.050 0.036 0.000 0.856 90 N CB 0.164 38.646 38.487 -0.009 0.000 1.068 90 N HN 0.011 nan 8.380 nan 0.000 0.510 91 F N 2.131 122.090 119.950 0.015 0.000 2.579 91 F HA -0.135 4.383 4.527 -0.015 0.000 0.397 91 F C 1.151 176.983 175.800 0.054 0.000 1.027 91 F CA 0.672 58.708 58.000 0.059 0.000 1.217 91 F CB 0.084 39.162 39.000 0.129 0.000 0.986 91 F HN 0.241 nan 8.300 nan 0.000 0.551 92 R N 0.936 121.221 120.500 -0.359 0.000 3.963 92 R HA -0.202 4.129 4.340 -0.015 0.000 0.394 92 R C -0.456 175.742 176.300 -0.171 0.000 1.131 92 R CA 0.806 56.658 56.100 -0.414 0.000 1.059 92 R CB -1.268 28.673 30.300 -0.598 0.000 1.614 92 R HN 0.594 nan 8.270 nan 0.000 0.546 93 Q N 0.703 120.447 119.800 -0.092 0.000 2.222 93 Q HA 0.276 4.607 4.340 -0.015 0.000 0.252 93 Q C -0.034 175.915 176.000 -0.085 0.000 0.926 93 Q CA -1.007 54.756 55.803 -0.068 0.000 0.899 93 Q CB 1.038 29.759 28.738 -0.029 0.000 1.250 93 Q HN 0.125 nan 8.270 nan 0.000 0.441 94 L N 3.123 124.269 121.223 -0.128 0.000 2.601 94 L HA -0.111 4.220 4.340 -0.015 0.000 0.277 94 L C 0.152 176.901 176.870 -0.201 0.000 1.219 94 L CA 1.318 56.003 54.840 -0.259 0.000 0.915 94 L CB -0.653 41.197 42.059 -0.349 0.000 1.160 94 L HN 0.768 nan 8.230 nan 0.000 0.494 95 H N 0.609 119.674 119.070 -0.009 0.000 3.211 95 H HA -0.185 4.361 4.556 -0.015 0.000 0.240 95 H C 0.755 176.073 175.328 -0.016 0.000 1.148 95 H CA 0.600 56.644 56.048 -0.008 0.000 1.160 95 H CB -1.604 28.155 29.762 -0.005 0.000 1.232 95 H HN 0.815 nan 8.280 nan 0.000 0.321 96 S N 0.519 116.253 115.700 0.056 0.000 2.624 96 S HA 0.240 4.701 4.470 -0.015 0.000 0.263 96 S C 1.161 175.756 174.600 -0.008 0.000 1.287 96 S CA -0.424 57.784 58.200 0.014 0.000 0.990 96 S CB 1.667 64.861 63.200 -0.011 0.000 0.950 96 S HN 0.392 nan 8.310 nan 0.000 0.561 97 K N 0.249 120.618 120.400 -0.052 0.000 2.444 97 K HA 0.086 4.397 4.320 -0.015 0.000 0.193 97 K C 0.264 176.710 176.600 -0.256 0.000 1.024 97 K CA 0.566 56.792 56.287 -0.102 0.000 1.077 97 K CB -0.044 32.400 32.500 -0.092 0.000 0.833 97 K HN 0.823 nan 8.250 nan 0.000 0.517 98 T N 0.046 114.450 114.554 -0.250 0.000 3.514 98 T HA 0.249 4.590 4.350 -0.015 0.000 0.259 98 T C -2.640 172.072 174.700 0.020 0.000 1.466 98 T CA -2.038 59.804 62.100 -0.430 0.000 1.562 98 T CB 0.572 69.275 68.868 -0.274 0.000 0.924 98 T HN -0.143 nan 8.240 nan 0.000 0.678 99 P HA 0.205 nan 4.420 nan 0.000 0.272 99 P C 1.422 178.790 177.300 0.114 0.000 1.240 99 P CA -0.089 63.051 63.100 0.067 0.000 0.791 99 P CB 0.632 32.391 31.700 0.098 0.000 0.978 100 G N 0.564 109.319 108.800 -0.075 0.000 2.469 100 G HA2 -0.179 3.772 3.960 -0.015 0.000 0.220 100 G HA3 -0.179 3.772 3.960 -0.015 0.000 0.220 100 G C 0.115 174.894 174.900 -0.203 0.000 1.136 100 G CA 1.140 46.124 45.100 -0.194 0.000 0.759 100 G HN 0.632 nan 8.290 nan 0.000 0.562 101 H N -0.744 118.389 119.070 0.105 0.000 2.797 101 H HA 0.493 5.040 4.556 -0.015 0.000 0.372 101 H C -2.504 172.905 175.328 0.135 0.000 1.168 101 H CA -1.888 54.218 56.048 0.098 0.000 1.163 101 H CB 1.920 31.728 29.762 0.076 0.000 1.778 101 H HN -0.080 nan 8.280 nan 0.000 0.551 102 P HA 0.141 nan 4.420 nan 0.000 0.275 102 P C -0.848 176.567 177.300 0.192 0.000 1.227 102 P CA -0.149 63.070 63.100 0.197 0.000 0.781 102 P CB 0.885 32.621 31.700 0.061 0.000 0.906 103 E N 1.260 121.575 120.200 0.192 0.000 2.288 103 E HA 0.243 4.584 4.350 -0.015 0.000 0.268 103 E C 0.915 177.595 176.600 0.133 0.000 0.885 103 E CA -0.684 55.806 56.400 0.149 0.000 0.767 103 E CB 1.819 31.599 29.700 0.133 0.000 1.220 103 E HN 0.395 nan 8.360 nan 0.000 0.427 104 I N -0.769 119.876 120.570 0.125 0.000 2.916 104 I HA -0.155 4.006 4.170 -0.015 0.000 0.267 104 I C 1.647 177.823 176.117 0.099 0.000 1.263 104 I CA 0.927 62.297 61.300 0.117 0.000 1.471 104 I CB -0.191 37.886 38.000 0.127 0.000 1.089 104 I HN 0.262 nan 8.210 nan 0.000 0.468 105 S N -0.245 115.510 115.700 0.092 0.000 2.555 105 S HA 0.010 4.471 4.470 -0.015 0.000 0.230 105 S C 0.932 175.570 174.600 0.062 0.000 0.978 105 S CA 0.274 58.518 58.200 0.075 0.000 0.934 105 S CB -1.005 62.237 63.200 0.069 0.000 0.766 105 S HN 0.497 nan 8.310 nan 0.000 0.533 106 T N 3.582 118.176 114.554 0.067 0.000 2.733 106 T HA 0.453 4.794 4.350 -0.015 0.000 0.294 106 T C -0.039 174.697 174.700 0.061 0.000 0.956 106 T CA -0.537 61.589 62.100 0.045 0.000 0.987 106 T CB 0.650 69.539 68.868 0.035 0.000 0.920 106 T HN 0.260 nan 8.240 nan 0.000 0.470 107 L N 2.986 124.249 121.223 0.068 0.000 2.455 107 L HA 0.398 4.729 4.340 -0.015 0.000 0.272 107 L C 1.567 178.499 176.870 0.104 0.000 1.174 107 L CA 0.441 55.344 54.840 0.106 0.000 0.869 107 L CB 0.204 42.342 42.059 0.132 0.000 1.130 107 L HN 1.014 nan 8.230 nan 0.000 0.474 108 G N 2.164 111.023 108.800 0.099 0.000 2.238 108 G HA2 -0.225 3.725 3.960 -0.015 0.000 0.217 108 G HA3 -0.225 3.725 3.960 -0.015 0.000 0.217 108 G C 0.033 174.884 174.900 -0.082 0.000 0.996 108 G CA -0.258 44.792 45.100 -0.082 0.000 0.632 108 G HN 0.380 nan 8.290 nan 0.000 0.503 109 V N 2.569 122.486 119.914 0.004 0.000 2.427 109 V HA 0.301 4.412 4.120 -0.015 0.000 0.268 109 V C 1.492 177.630 176.094 0.074 0.000 1.046 109 V CA 0.024 62.347 62.300 0.039 0.000 0.970 109 V CB 1.495 33.371 31.823 0.087 0.000 1.001 109 V HN 0.318 nan 8.190 nan 0.000 0.476 110 E N 3.581 123.828 120.200 0.079 0.000 2.107 110 E HA 0.093 4.434 4.350 -0.015 0.000 0.191 110 E C 0.326 177.072 176.600 0.244 0.000 0.982 110 E CA 1.001 57.461 56.400 0.100 0.000 0.809 110 E CB 0.571 30.280 29.700 0.014 0.000 0.756 110 E HN 0.652 nan 8.360 nan 0.000 0.459 111 I N -0.945 119.771 120.570 0.244 0.000 2.785 111 I HA 0.261 4.422 4.170 -0.015 0.000 0.293 111 I C -1.606 174.626 176.117 0.192 0.000 1.446 111 I CA -0.657 60.797 61.300 0.256 0.000 1.028 111 I CB 1.727 39.926 38.000 0.332 0.000 1.349 111 I HN -0.126 nan 8.210 nan 0.000 0.438 112 A N 4.453 127.373 122.820 0.166 0.000 2.488 112 A HA 0.600 4.911 4.320 -0.015 0.000 0.249 112 A C 0.156 177.824 177.584 0.141 0.000 1.083 112 A CA 0.767 52.892 52.037 0.148 0.000 0.768 112 A CB -0.170 18.910 19.000 0.134 0.000 1.017 112 A HN 0.758 nan 8.150 nan 0.000 0.496 113 T N -0.885 113.755 114.554 0.143 0.000 2.742 113 T HA 0.871 5.212 4.350 -0.015 0.000 0.282 113 T C 0.654 175.430 174.700 0.127 0.000 1.025 113 T CA 0.220 62.401 62.100 0.134 0.000 1.020 113 T CB 1.599 70.561 68.868 0.156 0.000 1.317 113 T HN 2.164 nan 8.240 nan 0.000 0.538 114 G N 0.367 109.229 108.800 0.103 0.000 3.753 114 G HA2 0.041 3.992 3.960 -0.015 0.000 0.196 114 G HA3 0.041 3.992 3.960 -0.015 0.000 0.196 114 G C -2.585 172.279 174.900 -0.060 0.000 1.538 114 G CA -0.323 44.746 45.100 -0.052 0.000 1.040 114 G HN 0.885 nan 8.290 nan 0.000 0.427 115 P HA 0.556 nan 4.420 nan 0.000 0.276 115 P C 0.285 177.607 177.300 0.036 0.000 1.253 115 P CA -0.236 62.865 63.100 0.001 0.000 0.766 115 P CB 0.778 32.491 31.700 0.022 0.000 0.845 116 L N 2.270 123.515 121.223 0.038 0.000 2.483 116 L HA 0.225 4.556 4.340 -0.015 0.000 0.276 116 L C 1.846 178.732 176.870 0.026 0.000 1.213 116 L CA 1.080 55.947 54.840 0.046 0.000 0.843 116 L CB -0.379 41.703 42.059 0.038 0.000 1.107 116 L HN 0.788 nan 8.230 nan 0.000 0.487 117 G N 0.210 109.020 108.800 0.018 0.000 2.417 117 G HA2 -0.299 3.652 3.960 -0.015 0.000 0.233 117 G HA3 -0.299 3.652 3.960 -0.015 0.000 0.233 117 G C 1.034 175.921 174.900 -0.021 0.000 1.103 117 G CA 0.251 45.344 45.100 -0.012 0.000 0.647 117 G HN 0.570 nan 8.290 nan 0.000 0.512 118 Q N 0.596 120.390 119.800 -0.011 0.000 2.061 118 Q HA -0.086 4.245 4.340 -0.015 0.000 0.204 118 Q C 2.770 178.784 176.000 0.024 0.000 0.984 118 Q CA 2.318 58.114 55.803 -0.011 0.000 0.846 118 Q CB -0.938 27.821 28.738 0.035 0.000 0.902 118 Q HN 0.772 nan 8.270 nan 0.000 0.421 119 G N 0.355 109.195 108.800 0.067 0.000 2.432 119 G HA2 -0.138 3.813 3.960 -0.015 0.000 0.219 119 G HA3 -0.138 3.813 3.960 -0.015 0.000 0.219 119 G C 1.640 176.612 174.900 0.119 0.000 1.135 119 G CA 0.838 46.004 45.100 0.110 0.000 0.767 119 G HN 0.249 nan 8.290 nan 0.000 0.550 120 V N 1.389 121.364 119.914 0.101 0.000 2.358 120 V HA -0.110 4.001 4.120 -0.015 0.000 0.246 120 V C 3.286 179.430 176.094 0.083 0.000 1.047 120 V CA 2.003 64.392 62.300 0.148 0.000 1.035 120 V CB -0.729 31.167 31.823 0.121 0.000 0.658 120 V HN 0.460 nan 8.190 nan 0.000 0.452 121 A N 0.372 123.201 122.820 0.015 0.000 1.930 121 A HA -0.185 4.126 4.320 -0.015 0.000 0.217 121 A C 2.065 179.604 177.584 -0.075 0.000 1.175 121 A CA 1.724 53.739 52.037 -0.037 0.000 0.627 121 A CB -0.609 18.354 19.000 -0.062 0.000 0.815 121 A HN 0.597 nan 8.150 nan 0.000 0.443 122 N N 0.878 119.543 118.700 -0.059 0.000 2.069 122 N HA -0.159 4.572 4.740 -0.015 0.000 0.191 122 N C 1.915 177.332 175.510 -0.155 0.000 1.031 122 N CA 1.683 54.640 53.050 -0.155 0.000 0.852 122 N CB -0.661 37.780 38.487 -0.076 0.000 1.018 122 N HN 0.470 nan 8.380 nan 0.000 0.423 123 A N 1.028 123.882 122.820 0.057 0.000 1.908 123 A HA -0.091 4.220 4.320 -0.015 0.000 0.218 123 A C 2.561 180.007 177.584 -0.230 0.000 1.181 123 A CA 1.416 53.552 52.037 0.165 0.000 0.627 123 A CB -0.831 18.392 19.000 0.373 0.000 0.818 123 A HN 0.117 nan 8.150 nan 0.000 0.445 124 V N -0.074 119.565 119.914 -0.458 0.000 2.343 124 V HA -0.198 3.913 4.120 -0.015 0.000 0.247 124 V C 2.782 178.695 176.094 -0.302 0.000 1.051 124 V CA 1.973 63.931 62.300 -0.570 0.000 1.036 124 V CB -1.435 30.172 31.823 -0.359 0.000 0.654 124 V HN 0.624 nan 8.190 nan 0.000 0.451 125 G N -0.927 107.739 108.800 -0.223 0.000 2.408 125 G HA2 -0.216 3.735 3.960 -0.015 0.000 0.217 125 G HA3 -0.216 3.735 3.960 -0.015 0.000 0.217 125 G C 1.413 176.121 174.900 -0.321 0.000 1.150 125 G CA 0.557 45.527 45.100 -0.218 0.000 0.776 125 G HN 0.431 nan 8.290 nan 0.000 0.542 126 F N 2.014 121.878 119.950 -0.142 0.000 2.171 126 F HA 0.242 4.760 4.527 -0.015 0.000 0.300 126 F C 2.348 178.087 175.800 -0.102 0.000 1.090 126 F CA -0.158 57.811 58.000 -0.051 0.000 1.293 126 F CB -0.719 38.340 39.000 0.098 0.000 1.013 126 F HN 0.199 nan 8.300 nan 0.000 0.486 130 A N 0.596 123.093 122.820 -0.538 0.000 1.933 130 A HA -0.047 4.264 4.320 -0.015 0.000 0.218 130 A C 1.908 179.404 177.584 -0.146 0.000 1.175 130 A CA 1.944 53.837 52.037 -0.240 0.000 0.628 130 A CB -0.402 18.528 19.000 -0.116 0.000 0.814 130 A HN 0.301 nan 8.150 nan 0.000 0.444 131 K N -0.149 120.171 120.400 -0.134 0.000 2.097 131 K HA -0.109 4.202 4.320 -0.015 0.000 0.205 131 K C 1.952 178.470 176.600 -0.136 0.000 1.050 131 K CA 1.556 57.781 56.287 -0.102 0.000 0.938 131 K CB -0.229 32.233 32.500 -0.064 0.000 0.718 131 K HN 0.394 nan 8.250 nan 0.000 0.442 132 K N 1.461 121.781 120.400 -0.132 0.000 2.057 132 K HA -0.004 4.307 4.320 -0.015 0.000 0.206 132 K C 1.906 178.579 176.600 0.121 0.000 1.050 132 K CA 1.440 57.671 56.287 -0.093 0.000 0.935 132 K CB -0.474 31.997 32.500 -0.049 0.000 0.715 132 K HN 0.055 nan 8.250 nan 0.000 0.439 133 A N 0.718 123.666 122.820 0.213 0.000 1.940 133 A HA -0.255 4.056 4.320 -0.015 0.000 0.219 133 A C 2.204 179.871 177.584 0.138 0.000 1.176 133 A CA 1.968 54.144 52.037 0.230 0.000 0.631 133 A CB -0.691 18.448 19.000 0.232 0.000 0.814 133 A HN 0.609 nan 8.150 nan 0.000 0.446 134 Q N -0.271 119.575 119.800 0.076 0.000 2.124 134 Q HA -0.254 4.077 4.340 -0.015 0.000 0.202 134 Q C 1.987 178.003 176.000 0.026 0.000 0.977 134 Q CA 1.894 57.727 55.803 0.050 0.000 0.850 134 Q CB -0.276 28.468 28.738 0.009 0.000 0.901 134 Q HN 0.752 nan 8.270 nan 0.000 0.429 135 N N -0.253 118.443 118.700 -0.007 0.000 2.120 135 N HA -0.155 4.576 4.740 -0.015 0.000 0.188 135 N C 1.657 177.177 175.510 0.017 0.000 1.024 135 N CA 1.345 54.380 53.050 -0.025 0.000 0.852 135 N CB -0.111 38.319 38.487 -0.095 0.000 1.003 135 N HN 0.282 nan 8.380 nan 0.000 0.424 136 L N -0.612 120.647 121.223 0.059 0.000 2.095 136 L HA 0.032 4.363 4.340 -0.015 0.000 0.204 136 L C 1.633 178.542 176.870 0.065 0.000 1.080 136 L CA 0.739 55.622 54.840 0.073 0.000 0.759 136 L CB -0.110 42.018 42.059 0.115 0.000 0.914 136 L HN 0.246 nan 8.230 nan 0.000 0.439 137 L N -1.386 119.885 121.223 0.081 0.000 2.701 137 L HA 0.389 4.720 4.340 -0.015 0.000 0.238 137 L C 0.684 177.598 176.870 0.074 0.000 1.106 137 L CA 0.100 54.992 54.840 0.086 0.000 0.898 137 L CB 0.365 42.505 42.059 0.134 0.000 1.188 137 L HN 0.304 nan 8.230 nan 0.000 0.508 138 G N 0.447 109.286 108.800 0.066 0.000 2.663 138 G HA2 -0.221 3.730 3.960 -0.015 0.000 0.686 138 G HA3 -0.221 3.730 3.960 -0.015 0.000 0.686 138 G C 0.463 175.406 174.900 0.072 0.000 1.246 138 G CA -0.149 44.983 45.100 0.053 0.000 0.795 138 G HN 0.169 nan 8.290 nan 0.000 0.627 139 S N -0.488 115.245 115.700 0.055 0.000 2.561 139 S HA -0.005 4.456 4.470 -0.015 0.000 0.225 139 S C 1.680 176.335 174.600 0.091 0.000 0.977 139 S CA 1.470 59.709 58.200 0.066 0.000 0.926 139 S CB -0.029 63.195 63.200 0.040 0.000 0.769 139 S HN 0.993 nan 8.310 nan 0.000 0.533 140 D N 2.184 122.634 120.400 0.083 0.000 2.183 140 D HA -0.075 4.556 4.640 -0.015 0.000 0.203 140 D C 1.777 178.163 176.300 0.143 0.000 0.969 140 D CA 0.683 54.736 54.000 0.088 0.000 0.842 140 D CB -0.403 40.420 40.800 0.040 0.000 0.957 140 D HN 0.483 nan 8.370 nan 0.000 0.484 141 L N -0.551 120.779 121.223 0.178 0.000 2.408 141 L HA 0.174 4.505 4.340 -0.015 0.000 0.215 141 L C 0.498 177.694 176.870 0.542 0.000 1.081 141 L CA 0.199 55.254 54.840 0.358 0.000 0.840 141 L CB 0.518 42.715 42.059 0.230 0.000 1.002 141 L HN -0.080 nan 8.230 nan 0.000 0.468 142 I N 1.202 121.957 120.570 0.307 0.000 2.411 142 I HA 0.205 4.366 4.170 -0.015 0.000 0.284 142 I C -0.663 175.527 176.117 0.122 0.000 1.012 142 I CA -0.084 61.360 61.300 0.241 0.000 1.119 142 I CB 1.244 39.375 38.000 0.218 0.000 1.261 142 I HN 0.138 nan 8.210 nan 0.000 0.448 143 D N 3.265 123.722 120.400 0.095 0.000 2.615 143 D HA 0.025 4.656 4.640 -0.015 0.000 0.274 143 D C 0.212 176.493 176.300 -0.031 0.000 1.512 143 D CA -0.229 53.782 54.000 0.019 0.000 0.803 143 D CB -0.478 40.372 40.800 0.084 0.000 1.182 143 D HN 0.564 nan 8.370 nan 0.000 0.473 144 H N -0.394 118.666 119.070 -0.017 0.000 2.534 144 H HA 0.638 5.184 4.556 -0.016 0.000 0.364 144 H C 0.136 175.435 175.328 -0.049 0.000 1.328 144 H CA -0.373 55.642 56.048 -0.055 0.000 1.415 144 H CB 0.875 30.537 29.762 -0.167 0.000 1.573 144 H HN -0.291 nan 8.280 nan 0.000 0.601 145 K N 0.443 120.892 120.400 0.082 0.000 2.139 145 K HA 0.408 4.719 4.320 -0.015 0.000 0.243 145 K C -0.766 175.841 176.600 0.011 0.000 0.983 145 K CA -0.833 55.392 56.287 -0.103 0.000 0.890 145 K CB 1.768 34.044 32.500 -0.373 0.000 1.090 145 K HN 0.531 nan 8.250 nan 0.000 0.445 146 I N 1.928 122.440 120.570 -0.097 0.000 2.411 146 I HA 0.221 4.382 4.170 -0.015 0.000 0.284 146 I C -1.063 175.044 176.117 -0.016 0.000 1.012 146 I CA -0.486 60.856 61.300 0.070 0.000 1.119 146 I CB 0.793 38.951 38.000 0.262 0.000 1.261 146 I HN 0.328 nan 8.210 nan 0.000 0.448 147 Y N 4.840 125.221 120.300 0.135 0.000 2.328 147 Y HA 0.558 5.099 4.550 -0.014 0.000 0.337 147 Y C 0.155 176.103 175.900 0.080 0.000 1.008 147 Y CA -0.504 57.629 58.100 0.054 0.000 1.129 147 Y CB 1.756 40.208 38.460 -0.013 0.000 1.185 147 Y HN 0.563 nan 8.280 nan 0.000 0.476 148 C N 6.338 125.756 119.300 0.198 0.000 2.369 148 C HA 0.674 5.125 4.460 -0.015 0.000 0.322 148 C C -0.740 174.244 174.990 -0.010 0.000 1.258 148 C CA -0.971 58.135 59.018 0.147 0.000 1.487 148 C CB -0.689 27.231 27.740 0.299 0.000 2.165 148 C HN 0.843 nan 8.230 nan 0.000 0.483 149 L N 6.583 127.725 121.223 -0.135 0.000 2.264 149 L HA 0.616 4.947 4.340 -0.015 0.000 0.289 149 L C 0.452 177.239 176.870 -0.138 0.000 1.044 149 L CA -0.177 54.516 54.840 -0.246 0.000 0.807 149 L CB 0.709 42.411 42.059 -0.594 0.000 1.192 149 L HN 0.932 nan 8.230 nan 0.000 0.425 150 C N 0.835 120.096 119.300 -0.065 0.000 3.044 150 C HA 1.019 5.470 4.460 -0.015 0.000 0.315 150 C C 0.364 175.393 174.990 0.066 0.000 1.320 150 C CA -0.479 58.539 59.018 -0.001 0.000 1.582 150 C CB 1.094 28.835 27.740 0.002 0.000 2.039 150 C HN 0.850 nan 8.230 nan 0.000 0.466 151 G N -0.288 108.567 108.800 0.092 0.000 3.140 151 G HA2 0.478 4.429 3.960 -0.015 0.000 0.271 151 G HA3 0.478 4.429 3.960 -0.015 0.000 0.271 151 G C -0.036 174.943 174.900 0.131 0.000 1.370 151 G CA -0.207 44.992 45.100 0.166 0.000 1.014 151 G HN 0.772 nan 8.290 nan 0.000 0.541 152 D N -0.094 120.399 120.400 0.155 0.000 2.149 152 D HA -0.131 4.500 4.640 -0.015 0.000 0.198 152 D C 2.420 178.618 176.300 -0.170 0.000 0.990 152 D CA 1.737 55.722 54.000 -0.026 0.000 0.839 152 D CB -0.286 40.496 40.800 -0.030 0.000 0.948 152 D HN 0.430 nan 8.370 nan 0.000 0.460 153 G N 1.092 109.853 108.800 -0.065 0.000 2.402 153 G HA2 -0.220 3.731 3.960 -0.015 0.000 0.216 153 G HA3 -0.220 3.731 3.960 -0.015 0.000 0.216 153 G C 1.355 176.211 174.900 -0.072 0.000 1.162 153 G CA 0.593 45.652 45.100 -0.068 0.000 0.777 153 G HN 0.182 nan 8.290 nan 0.000 0.539 154 D N 0.642 121.011 120.400 -0.052 0.000 2.117 154 D HA -0.069 4.562 4.640 -0.015 0.000 0.197 154 D C 2.460 178.680 176.300 -0.133 0.000 0.987 154 D CA 0.630 54.596 54.000 -0.056 0.000 0.829 154 D CB -0.066 40.717 40.800 -0.028 0.000 0.961 154 D HN 0.270 nan 8.370 nan 0.000 0.460 155 L N 0.585 121.657 121.223 -0.251 0.000 2.478 155 L HA -0.073 4.258 4.340 -0.015 0.000 0.223 155 L C 2.218 178.900 176.870 -0.313 0.000 1.140 155 L CA 0.504 55.128 54.840 -0.360 0.000 0.842 155 L CB -0.162 41.562 42.059 -0.558 0.000 0.953 155 L HN -0.023 nan 8.230 nan 0.000 0.452 156 Q N -0.583 119.092 119.800 -0.208 0.000 2.354 156 Q HA 0.007 4.338 4.340 -0.015 0.000 0.203 156 Q C 0.256 176.344 176.000 0.145 0.000 0.933 156 Q CA 0.197 55.999 55.803 -0.002 0.000 0.901 156 Q CB 0.431 29.136 28.738 -0.055 0.000 1.007 156 Q HN 0.339 nan 8.270 nan 0.000 0.495 157 E N 0.288 120.525 120.200 0.062 0.000 2.384 157 E HA -0.010 4.331 4.350 -0.015 0.000 0.266 157 E C 0.944 177.671 176.600 0.211 0.000 1.012 157 E CA 0.191 56.652 56.400 0.102 0.000 0.901 157 E CB 1.100 30.825 29.700 0.041 0.000 0.967 157 E HN 0.314 nan 8.360 nan 0.000 0.435 158 G N 3.944 112.868 108.800 0.206 0.000 2.505 158 G HA2 -0.294 3.657 3.960 -0.015 0.000 0.220 158 G HA3 -0.294 3.657 3.960 -0.015 0.000 0.220 158 G C 1.423 176.446 174.900 0.206 0.000 1.145 158 G CA 0.480 45.715 45.100 0.224 0.000 0.761 158 G HN 0.637 nan 8.290 nan 0.000 0.571 159 I N 1.562 122.191 120.570 0.098 0.000 2.423 159 I HA -0.226 3.935 4.170 -0.015 0.000 0.254 159 I C 3.033 179.158 176.117 0.012 0.000 1.151 159 I CA 1.720 63.015 61.300 -0.007 0.000 1.421 159 I CB -0.065 37.773 38.000 -0.270 0.000 1.079 159 I HN 0.365 nan 8.210 nan 0.000 0.431 160 S N 0.207 115.917 115.700 0.017 0.000 2.368 160 S HA -0.240 4.221 4.470 -0.015 0.000 0.224 160 S C 1.952 176.513 174.600 -0.066 0.000 1.029 160 S CA 1.109 59.280 58.200 -0.048 0.000 0.988 160 S CB -1.058 62.049 63.200 -0.154 0.000 0.838 160 S HN 0.568 nan 8.310 nan 0.000 0.462 161 Y N 2.303 122.560 120.300 -0.071 0.000 2.181 161 Y HA -0.006 4.535 4.550 -0.016 0.000 0.288 161 Y C 2.788 178.652 175.900 -0.060 0.000 1.146 161 Y CA 1.370 59.401 58.100 -0.114 0.000 1.164 161 Y CB -0.502 37.901 38.460 -0.095 0.000 0.982 161 Y HN 0.332 nan 8.280 nan 0.000 0.515 162 E N 0.170 120.457 120.200 0.145 0.000 2.051 162 E HA -0.228 4.113 4.350 -0.015 0.000 0.192 162 E C 2.424 179.073 176.600 0.082 0.000 0.991 162 E CA 1.104 57.562 56.400 0.096 0.000 0.799 162 E CB -0.300 29.452 29.700 0.087 0.000 0.748 162 E HN 0.489 nan 8.360 nan 0.000 0.449 163 A N 0.515 123.374 122.820 0.065 0.000 1.929 163 A HA -0.128 4.183 4.320 -0.015 0.000 0.216 163 A C 2.358 180.008 177.584 0.109 0.000 1.176 163 A CA 0.863 52.936 52.037 0.060 0.000 0.628 163 A CB -0.586 18.427 19.000 0.023 0.000 0.816 163 A HN 0.340 nan 8.150 nan 0.000 0.444 164 C N -1.217 118.161 119.300 0.131 0.000 2.450 164 C HA -0.015 4.436 4.460 -0.015 0.000 0.279 164 C C 3.202 178.357 174.990 0.275 0.000 1.335 164 C CA 1.091 60.275 59.018 0.277 0.000 1.749 164 C CB -1.054 26.690 27.740 0.007 0.000 1.963 164 C HN 0.670 nan 8.230 nan 0.000 0.501 165 S N 0.631 116.408 115.700 0.129 0.000 2.359 165 S HA -0.174 4.287 4.470 -0.015 0.000 0.223 165 S C 1.737 176.411 174.600 0.124 0.000 1.039 165 S CA 1.605 59.872 58.200 0.111 0.000 1.042 165 S CB -0.311 62.931 63.200 0.070 0.000 0.915 165 S HN 0.621 nan 8.310 nan 0.000 0.439 166 L N 0.746 122.045 121.223 0.126 0.000 2.131 166 L HA -0.083 4.248 4.340 -0.015 0.000 0.210 166 L C 2.805 179.779 176.870 0.174 0.000 1.092 166 L CA 1.133 56.064 54.840 0.152 0.000 0.759 166 L CB -0.569 41.562 42.059 0.121 0.000 0.903 166 L HN 0.430 nan 8.230 nan 0.000 0.435 167 A N -0.038 122.873 122.820 0.152 0.000 1.930 167 A HA -0.085 4.226 4.320 -0.015 0.000 0.217 167 A C 2.378 179.988 177.584 0.043 0.000 1.175 167 A CA 1.565 53.658 52.037 0.094 0.000 0.627 167 A CB -1.091 18.016 19.000 0.179 0.000 0.815 167 A HN 0.429 nan 8.150 nan 0.000 0.443 168 G N -0.143 108.719 108.800 0.103 0.000 2.404 168 G HA2 -0.120 3.831 3.960 -0.015 0.000 0.215 168 G HA3 -0.120 3.831 3.960 -0.015 0.000 0.215 168 G C 1.501 176.403 174.900 0.003 0.000 1.174 168 G CA 1.116 46.240 45.100 0.040 0.000 0.780 168 G HN 0.474 nan 8.290 nan 0.000 0.537 169 L N 0.149 121.367 121.223 -0.009 0.000 2.042 169 L HA -0.080 4.251 4.340 -0.015 0.000 0.210 169 L C 2.254 178.986 176.870 -0.230 0.000 1.076 169 L CA 1.781 56.539 54.840 -0.136 0.000 0.749 169 L CB -0.486 41.450 42.059 -0.205 0.000 0.893 169 L HN 0.307 nan 8.230 nan 0.000 0.432 170 H N 0.389 119.462 119.070 0.005 0.000 2.533 170 H HA 0.116 4.663 4.556 -0.016 0.000 0.271 170 H C 0.170 175.500 175.328 0.004 0.000 1.000 170 H CA 0.239 56.303 56.048 0.026 0.000 1.149 170 H CB 0.046 29.844 29.762 0.059 0.000 1.375 170 H HN 0.346 nan 8.280 nan 0.000 0.582 171 K N 0.762 121.180 120.400 0.031 0.000 3.148 171 K HA -0.163 4.148 4.320 -0.015 0.000 0.267 171 K C -0.408 176.189 176.600 -0.005 0.000 0.996 171 K CA 0.016 56.297 56.287 -0.010 0.000 0.737 171 K CB -1.596 30.899 32.500 -0.008 0.000 1.308 171 K HN 0.304 nan 8.250 nan 0.000 0.470 172 L N 2.197 123.414 121.223 -0.009 0.000 2.382 172 L HA 0.013 4.344 4.340 -0.015 0.000 0.259 172 L C 1.149 178.014 176.870 -0.009 0.000 1.291 172 L CA -0.159 54.684 54.840 0.004 0.000 1.176 172 L CB -0.250 41.814 42.059 0.009 0.000 1.373 172 L HN 0.257 nan 8.230 nan 0.000 0.426 173 D N -0.210 120.174 120.400 -0.027 0.000 2.344 173 D HA -0.102 4.529 4.640 -0.015 0.000 0.242 173 D C 0.923 177.199 176.300 -0.039 0.000 1.159 173 D CA -0.003 53.973 54.000 -0.040 0.000 0.859 173 D CB -0.140 40.638 40.800 -0.037 0.000 0.925 173 D HN 0.448 nan 8.370 nan 0.000 0.510 174 N N -0.272 118.414 118.700 -0.024 0.000 2.205 174 N HA 0.043 4.774 4.740 -0.015 0.000 0.201 174 N C -0.672 174.840 175.510 0.004 0.000 1.128 174 N CA -0.614 52.406 53.050 -0.051 0.000 0.867 174 N CB -0.246 38.181 38.487 -0.101 0.000 0.996 174 N HN 0.131 nan 8.380 nan 0.000 0.503 175 F N 1.790 121.660 119.950 -0.134 0.000 2.411 175 F HA 0.598 5.117 4.527 -0.013 0.000 0.352 175 F C -0.964 174.781 175.800 -0.090 0.000 1.123 175 F CA -2.075 55.868 58.000 -0.095 0.000 1.044 175 F CB 0.701 39.673 39.000 -0.047 0.000 1.135 175 F HN -0.136 nan 8.300 nan 0.000 0.461 176 I N 7.705 128.018 120.570 -0.428 0.000 2.410 176 I HA 0.282 4.443 4.170 -0.015 0.000 0.286 176 I C -1.361 174.446 176.117 -0.517 0.000 1.009 176 I CA -0.964 60.062 61.300 -0.458 0.000 1.111 176 I CB 1.769 39.611 38.000 -0.263 0.000 1.262 176 I HN 0.428 nan 8.210 nan 0.000 0.443 177 L N 8.638 129.514 121.223 -0.577 0.000 2.280 177 L HA 0.567 4.898 4.340 -0.015 0.000 0.287 177 L C -0.676 176.065 176.870 -0.215 0.000 1.023 177 L CA -0.049 54.554 54.840 -0.395 0.000 0.819 177 L CB 0.899 42.722 42.059 -0.392 0.000 1.212 177 L HN 0.400 nan 8.230 nan 0.000 0.420 178 I N 6.006 126.496 120.570 -0.133 0.000 2.330 178 I HA 0.180 4.341 4.170 -0.015 0.000 0.286 178 I C -1.104 174.974 176.117 -0.065 0.000 1.025 178 I CA -0.742 60.490 61.300 -0.114 0.000 1.197 178 I CB 0.719 38.643 38.000 -0.128 0.000 1.358 178 I HN 0.509 nan 8.210 nan 0.000 0.467 179 Y N 6.292 126.463 120.300 -0.216 0.000 2.425 179 Y HA 0.234 4.775 4.550 -0.015 0.000 0.347 179 Y C 0.134 175.932 175.900 -0.170 0.000 0.976 179 Y CA -1.433 56.549 58.100 -0.197 0.000 1.190 179 Y CB 0.552 38.872 38.460 -0.234 0.000 1.136 179 Y HN 0.490 nan 8.280 nan 0.000 0.517 180 D N 4.290 124.643 120.400 -0.079 0.000 2.441 180 D HA -0.003 4.627 4.640 -0.015 0.000 0.243 180 D C -0.445 175.604 176.300 -0.419 0.000 1.257 180 D CA 0.440 54.304 54.000 -0.226 0.000 1.027 180 D CB 0.070 40.807 40.800 -0.105 0.000 1.084 180 D HN 0.415 nan 8.370 nan 0.000 0.514 181 S N 3.020 118.286 115.700 -0.723 0.000 2.955 181 S HA 0.088 4.549 4.470 -0.015 0.000 0.294 181 S C 0.900 175.311 174.600 -0.315 0.000 1.198 181 S CA -0.796 56.945 58.200 -0.766 0.000 1.008 181 S CB -0.410 62.237 63.200 -0.921 0.000 1.279 181 S HN 0.507 nan 8.310 nan 0.000 0.508 182 N N 3.503 122.101 118.700 -0.169 0.000 2.205 182 N HA 0.042 4.773 4.740 -0.015 0.000 0.201 182 N C 0.466 175.966 175.510 -0.017 0.000 1.128 182 N CA -0.082 52.928 53.050 -0.067 0.000 0.867 182 N CB -0.563 37.913 38.487 -0.019 0.000 0.996 182 N HN 0.703 nan 8.380 nan 0.000 0.503 183 N N -0.119 118.572 118.700 -0.016 0.000 2.708 183 N HA -0.150 4.581 4.740 -0.015 0.000 0.251 183 N C -1.209 174.323 175.510 0.037 0.000 1.123 183 N CA 0.542 53.606 53.050 0.024 0.000 0.739 183 N CB -0.534 37.966 38.487 0.023 0.000 1.113 183 N HN 0.242 nan 8.380 nan 0.000 0.561 184 I N 0.966 121.560 120.570 0.039 0.000 2.533 184 I HA 0.294 4.455 4.170 -0.015 0.000 0.290 184 I C 0.609 176.746 176.117 0.034 0.000 1.056 184 I CA -0.345 60.986 61.300 0.052 0.000 1.057 184 I CB 1.851 39.902 38.000 0.085 0.000 1.240 184 I HN 0.220 nan 8.210 nan 0.000 0.423 185 S N 5.488 121.184 115.700 -0.007 0.000 2.900 185 S HA 0.623 5.084 4.470 -0.015 0.000 0.320 185 S C 1.004 175.521 174.600 -0.139 0.000 1.130 185 S CA -0.723 57.419 58.200 -0.096 0.000 0.863 185 S CB 1.456 64.600 63.200 -0.093 0.000 1.295 185 S HN 0.442 nan 8.310 nan 0.000 0.596 186 I N 1.099 121.521 120.570 -0.248 0.000 2.315 186 I HA -0.070 4.091 4.170 -0.015 0.000 0.248 186 I C 2.127 178.184 176.117 -0.100 0.000 1.117 186 I CA 1.310 62.493 61.300 -0.194 0.000 1.404 186 I CB -0.344 37.523 38.000 -0.220 0.000 1.071 186 I HN 0.713 nan 8.210 nan 0.000 0.419 187 E N 0.661 120.790 120.200 -0.118 0.000 2.502 187 E HA 0.157 4.498 4.350 -0.015 0.000 0.194 187 E C 1.029 177.510 176.600 -0.199 0.000 1.062 187 E CA 0.413 56.730 56.400 -0.138 0.000 0.867 187 E CB 0.236 29.884 29.700 -0.088 0.000 0.888 187 E HN 0.592 nan 8.360 nan 0.000 0.510 188 G N 1.986 110.681 108.800 -0.176 0.000 2.594 188 G HA2 -0.252 3.699 3.960 -0.015 0.000 0.217 188 G HA3 -0.252 3.699 3.960 -0.015 0.000 0.217 188 G C -0.769 174.106 174.900 -0.042 0.000 1.163 188 G CA -0.349 44.659 45.100 -0.154 0.000 1.074 188 G HN 0.281 nan 8.290 nan 0.000 0.589 189 D N 0.754 121.139 120.400 -0.026 0.000 2.487 189 D HA 0.300 4.931 4.640 -0.015 0.000 0.243 189 D C 1.803 178.116 176.300 0.021 0.000 1.154 189 D CA 0.707 54.714 54.000 0.011 0.000 0.876 189 D CB 1.350 42.157 40.800 0.013 0.000 1.161 189 D HN 0.505 nan 8.370 nan 0.000 0.478 190 V N 4.466 124.406 119.914 0.044 0.000 2.490 190 V HA -0.157 3.954 4.120 -0.015 0.000 0.250 190 V C 2.413 178.582 176.094 0.125 0.000 1.061 190 V CA 2.108 64.453 62.300 0.075 0.000 1.064 190 V CB -0.686 31.189 31.823 0.087 0.000 0.670 190 V HN 0.808 nan 8.190 nan 0.000 0.461 191 G N -0.189 108.673 108.800 0.103 0.000 2.516 191 G HA2 -0.239 3.712 3.960 -0.015 0.000 0.221 191 G HA3 -0.239 3.712 3.960 -0.015 0.000 0.221 191 G C 1.490 176.428 174.900 0.063 0.000 1.107 191 G CA 0.762 45.915 45.100 0.088 0.000 0.747 191 G HN 0.520 nan 8.290 nan 0.000 0.567 192 L N -0.330 120.921 121.223 0.048 0.000 2.191 192 L HA 0.044 4.375 4.340 -0.015 0.000 0.212 192 L C 2.788 179.685 176.870 0.045 0.000 1.103 192 L CA 1.182 56.040 54.840 0.030 0.000 0.769 192 L CB -0.034 42.029 42.059 0.007 0.000 0.908 192 L HN 0.337 nan 8.230 nan 0.000 0.438 193 A N -2.321 120.550 122.820 0.084 0.000 2.498 193 A HA 0.268 4.579 4.320 -0.015 0.000 0.238 193 A C 0.015 177.728 177.584 0.215 0.000 1.225 193 A CA -0.191 51.913 52.037 0.112 0.000 0.978 193 A CB 0.617 19.670 19.000 0.088 0.000 1.142 193 A HN 0.184 nan 8.150 nan 0.000 0.552 194 F N 1.306 121.270 119.950 0.023 0.000 2.623 194 F HA 0.454 4.972 4.527 -0.015 0.000 0.323 194 F C -1.009 174.815 175.800 0.040 0.000 1.158 194 F CA -0.606 57.417 58.000 0.038 0.000 1.030 194 F CB 1.589 40.619 39.000 0.050 0.000 1.280 194 F HN 0.064 nan 8.300 nan 0.000 0.474 195 N N 3.260 121.737 118.700 -0.372 0.000 2.381 195 N HA 0.077 4.808 4.740 -0.015 0.000 0.257 195 N C -1.001 174.276 175.510 -0.389 0.000 1.409 195 N CA -0.378 52.520 53.050 -0.254 0.000 0.836 195 N CB -0.120 38.310 38.487 -0.095 0.000 1.384 195 N HN 0.663 nan 8.380 nan 0.000 0.490 196 E N 0.832 120.544 120.200 -0.814 0.000 2.437 196 E HA -0.059 4.282 4.350 -0.015 0.000 0.263 196 E C -0.200 176.286 176.600 -0.190 0.000 1.030 196 E CA 0.007 56.114 56.400 -0.489 0.000 0.934 196 E CB 0.532 29.904 29.700 -0.547 0.000 0.943 196 E HN 0.203 nan 8.360 nan 0.000 0.444 197 N N 2.591 121.244 118.700 -0.079 0.000 2.448 197 N HA -0.018 4.713 4.740 -0.015 0.000 0.250 197 N C 0.368 175.918 175.510 0.068 0.000 1.136 197 N CA 0.040 53.093 53.050 0.006 0.000 0.953 197 N CB 0.718 39.208 38.487 0.005 0.000 1.251 197 N HN 0.220 nan 8.380 nan 0.000 0.502 198 V N 3.131 123.126 119.914 0.136 0.000 2.427 198 V HA -0.134 3.977 4.120 -0.015 0.000 0.248 198 V C 1.647 177.877 176.094 0.227 0.000 1.051 198 V CA 1.221 63.661 62.300 0.233 0.000 1.048 198 V CB -0.578 31.425 31.823 0.300 0.000 0.666 198 V HN 0.613 nan 8.190 nan 0.000 0.456 202 F N 2.640 122.540 119.950 -0.083 0.000 2.206 202 F HA 0.134 4.652 4.527 -0.015 0.000 0.298 202 F C 2.034 177.863 175.800 0.049 0.000 1.090 202 F CA 1.735 59.636 58.000 -0.165 0.000 1.323 202 F CB 0.073 38.861 39.000 -0.352 0.000 1.028 202 F HN 0.203 nan 8.300 nan 0.000 0.492 203 E N -0.013 120.326 120.200 0.231 0.000 2.110 203 E HA -0.189 4.152 4.350 -0.015 0.000 0.193 203 E C 2.377 179.062 176.600 0.142 0.000 0.988 203 E CA 0.896 57.412 56.400 0.193 0.000 0.804 203 E CB -0.306 29.473 29.700 0.132 0.000 0.745 203 E HN 0.366 nan 8.360 nan 0.000 0.458 204 A N 1.109 123.986 122.820 0.094 0.000 2.024 204 A HA -0.220 4.091 4.320 -0.015 0.000 0.220 204 A C 1.826 179.452 177.584 0.071 0.000 1.164 204 A CA 1.242 53.315 52.037 0.059 0.000 0.643 204 A CB -0.236 18.780 19.000 0.027 0.000 0.806 204 A HN 0.196 nan 8.150 nan 0.000 0.451 205 Q N -1.579 118.282 119.800 0.103 0.000 2.280 205 Q HA 0.309 4.640 4.340 -0.015 0.000 0.202 205 Q C 0.799 176.971 176.000 0.288 0.000 0.903 205 Q CA 0.263 56.163 55.803 0.161 0.000 0.948 205 Q CB 0.252 29.044 28.738 0.090 0.000 1.058 205 Q HN 0.850 nan 8.270 nan 0.000 0.493 206 G N 0.725 109.678 108.800 0.256 0.000 2.132 206 G HA2 -0.245 3.706 3.960 -0.015 0.000 0.228 206 G HA3 -0.245 3.706 3.960 -0.015 0.000 0.228 206 G C -0.355 174.681 174.900 0.227 0.000 1.000 206 G CA -0.427 44.788 45.100 0.191 0.000 0.693 206 G HN 0.219 nan 8.290 nan 0.000 0.515 207 F N 0.556 120.584 119.950 0.130 0.000 2.399 207 F HA 0.605 5.123 4.527 -0.015 0.000 0.328 207 F C 0.777 176.628 175.800 0.085 0.000 1.084 207 F CA -1.034 57.051 58.000 0.142 0.000 1.053 207 F CB 1.283 40.429 39.000 0.244 0.000 1.209 207 F HN 0.135 nan 8.300 nan 0.000 0.502 208 E N 1.290 121.612 120.200 0.204 0.000 2.283 208 E HA 0.510 4.851 4.350 -0.015 0.000 0.278 208 E C -1.630 175.050 176.600 0.133 0.000 1.027 208 E CA -0.413 56.063 56.400 0.127 0.000 0.843 208 E CB 1.124 30.856 29.700 0.054 0.000 1.062 208 E HN 0.388 nan 8.360 nan 0.000 0.401 209 V N 6.267 126.233 119.914 0.085 0.000 2.444 209 V HA 0.358 4.469 4.120 -0.015 0.000 0.294 209 V C -0.220 175.876 176.094 0.003 0.000 1.022 209 V CA -0.706 61.614 62.300 0.033 0.000 0.850 209 V CB 1.216 33.060 31.823 0.035 0.000 0.992 209 V HN 0.627 nan 8.190 nan 0.000 0.426 210 L N 3.082 124.289 121.223 -0.027 0.000 2.330 210 L HA 0.734 5.065 4.340 -0.015 0.000 0.271 210 L C 0.013 176.851 176.870 -0.053 0.000 1.013 210 L CA -0.358 54.461 54.840 -0.035 0.000 0.816 210 L CB 2.213 44.247 42.059 -0.041 0.000 1.287 210 L HN 0.554 nan 8.230 nan 0.000 0.435 211 S N 3.080 118.750 115.700 -0.050 0.000 2.707 211 S HA 0.697 5.158 4.470 -0.015 0.000 0.303 211 S C -0.607 173.951 174.600 -0.071 0.000 1.132 211 S CA -0.540 57.623 58.200 -0.061 0.000 1.046 211 S CB 1.391 64.566 63.200 -0.042 0.000 1.004 211 S HN 0.532 nan 8.310 nan 0.000 0.483 212 I N 0.478 120.990 120.570 -0.097 0.000 3.042 212 I HA 0.677 4.838 4.170 -0.015 0.000 0.310 212 I C -0.751 175.288 176.117 -0.130 0.000 1.117 212 I CA -1.073 60.165 61.300 -0.103 0.000 1.003 212 I CB 1.813 39.748 38.000 -0.109 0.000 1.228 212 I HN 0.392 nan 8.210 nan 0.000 0.443 213 N N 2.476 121.103 118.700 -0.122 0.000 2.401 213 N HA 0.254 4.985 4.740 -0.015 0.000 0.255 213 N C 0.688 176.068 175.510 -0.217 0.000 1.110 213 N CA 0.012 52.974 53.050 -0.148 0.000 0.949 213 N CB 1.478 39.907 38.487 -0.097 0.000 1.110 213 N HN 0.919 nan 8.380 nan 0.000 0.490 214 G N 2.175 110.772 108.800 -0.337 0.000 3.026 214 G HA2 -0.090 3.861 3.960 -0.015 0.000 0.208 214 G HA3 -0.090 3.861 3.960 -0.015 0.000 0.208 214 G C 0.507 175.069 174.900 -0.562 0.000 1.169 214 G CA 0.212 45.055 45.100 -0.427 0.000 0.788 214 G HN 0.721 nan 8.290 nan 0.000 0.533 215 H N -0.393 118.547 119.070 -0.216 0.000 2.592 215 H HA 0.145 4.692 4.556 -0.015 0.000 0.279 215 H C -0.537 174.523 175.328 -0.446 0.000 1.089 215 H CA -0.408 55.452 56.048 -0.314 0.000 1.150 215 H CB 1.035 30.661 29.762 -0.225 0.000 1.575 215 H HN 0.283 nan 8.280 nan 0.000 0.547 216 D N 0.475 120.714 120.400 -0.268 0.000 2.427 216 D HA 0.004 4.635 4.640 -0.015 0.000 0.226 216 D C 0.412 176.580 176.300 -0.220 0.000 1.076 216 D CA -0.568 53.283 54.000 -0.247 0.000 0.849 216 D CB 0.712 41.444 40.800 -0.114 0.000 1.052 216 D HN 0.037 nan 8.370 nan 0.000 0.515 217 Y N 2.465 122.762 120.300 -0.006 0.000 2.165 217 Y HA -0.169 4.372 4.550 -0.015 0.000 0.286 217 Y C 2.293 178.174 175.900 -0.030 0.000 1.155 217 Y CA 1.018 59.106 58.100 -0.020 0.000 1.164 217 Y CB -0.171 38.276 38.460 -0.022 0.000 0.978 217 Y HN 0.485 nan 8.280 nan 0.000 0.513 218 E N -0.002 120.265 120.200 0.111 0.000 2.106 218 E HA -0.180 4.160 4.350 -0.015 0.000 0.192 218 E C 1.996 178.608 176.600 0.019 0.000 0.984 218 E CA 1.093 57.525 56.400 0.052 0.000 0.806 218 E CB -0.085 29.637 29.700 0.036 0.000 0.750 218 E HN 0.591 nan 8.360 nan 0.000 0.458 219 E N 0.361 120.557 120.200 -0.008 0.000 2.106 219 E HA -0.154 4.187 4.350 -0.015 0.000 0.192 219 E C 2.114 178.689 176.600 -0.041 0.000 0.984 219 E CA 0.667 57.048 56.400 -0.031 0.000 0.806 219 E CB -0.004 29.662 29.700 -0.055 0.000 0.750 219 E HN 0.279 nan 8.360 nan 0.000 0.458 220 I N 1.478 122.021 120.570 -0.044 0.000 2.179 220 I HA -0.293 3.868 4.170 -0.015 0.000 0.242 220 I C 2.398 178.491 176.117 -0.040 0.000 1.088 220 I CA 1.163 62.430 61.300 -0.055 0.000 1.357 220 I CB -0.312 37.664 38.000 -0.040 0.000 1.051 220 I HN 0.090 nan 8.210 nan 0.000 0.409 221 N N 1.216 119.926 118.700 0.017 0.000 2.104 221 N HA -0.267 4.464 4.740 -0.015 0.000 0.190 221 N C 1.847 177.371 175.510 0.024 0.000 1.024 221 N CA 1.633 54.718 53.050 0.058 0.000 0.853 221 N CB -0.131 38.418 38.487 0.103 0.000 1.008 221 N HN 0.182 nan 8.380 nan 0.000 0.424 222 K N -0.333 120.074 120.400 0.012 0.000 2.097 222 K HA -0.067 4.244 4.320 -0.015 0.000 0.206 222 K C 1.842 178.431 176.600 -0.018 0.000 1.049 222 K CA 1.262 57.553 56.287 0.007 0.000 0.933 222 K CB -0.263 32.238 32.500 0.002 0.000 0.717 222 K HN 0.254 nan 8.250 nan 0.000 0.442 223 A N 1.222 124.017 122.820 -0.042 0.000 1.902 223 A HA -0.106 4.205 4.320 -0.015 0.000 0.217 223 A C 2.101 179.641 177.584 -0.073 0.000 1.181 223 A CA 1.248 53.252 52.037 -0.056 0.000 0.623 223 A CB -0.568 18.389 19.000 -0.071 0.000 0.818 223 A HN 0.317 nan 8.150 nan 0.000 0.443 224 L N -0.601 120.542 121.223 -0.133 0.000 2.046 224 L HA -0.177 4.154 4.340 -0.015 0.000 0.208 224 L C 2.689 179.483 176.870 -0.128 0.000 1.077 224 L CA 1.283 55.998 54.840 -0.208 0.000 0.747 224 L CB -0.567 41.147 42.059 -0.574 0.000 0.896 224 L HN 0.345 nan 8.230 nan 0.000 0.432 225 E N -0.055 120.110 120.200 -0.058 0.000 2.058 225 E HA -0.314 4.027 4.350 -0.015 0.000 0.194 225 E C 2.074 178.692 176.600 0.030 0.000 0.997 225 E CA 1.512 57.943 56.400 0.051 0.000 0.801 225 E CB -0.192 29.562 29.700 0.090 0.000 0.746 225 E HN 0.542 nan 8.360 nan 0.000 0.450 226 Q N 0.146 119.951 119.800 0.007 0.000 2.079 226 Q HA -0.077 4.254 4.340 -0.015 0.000 0.200 226 Q C 2.094 178.092 176.000 -0.003 0.000 0.974 226 Q CA 1.395 57.200 55.803 0.004 0.000 0.840 226 Q CB -0.081 28.655 28.738 -0.004 0.000 0.898 226 Q HN 0.225 nan 8.270 nan 0.000 0.430 227 A N 1.127 123.938 122.820 -0.016 0.000 1.908 227 A HA -0.226 4.085 4.320 -0.015 0.000 0.218 227 A C 1.886 179.459 177.584 -0.019 0.000 1.181 227 A CA 1.828 53.850 52.037 -0.025 0.000 0.627 227 A CB -0.413 18.567 19.000 -0.034 0.000 0.818 227 A HN 0.358 nan 8.150 nan 0.000 0.445 228 K N -0.228 120.178 120.400 0.009 0.000 2.362 228 K HA -0.047 4.264 4.320 -0.015 0.000 0.200 228 K C 1.337 177.948 176.600 0.019 0.000 1.046 228 K CA 1.138 57.439 56.287 0.023 0.000 0.952 228 K CB -0.008 32.546 32.500 0.090 0.000 0.753 228 K HN 0.390 nan 8.250 nan 0.000 0.466 229 K N 0.519 120.929 120.400 0.017 0.000 2.374 229 K HA 0.093 4.404 4.320 -0.015 0.000 0.196 229 K C 0.408 177.010 176.600 0.002 0.000 1.023 229 K CA -0.080 56.215 56.287 0.015 0.000 1.103 229 K CB 0.748 33.261 32.500 0.022 0.000 0.848 229 K HN -0.056 nan 8.250 nan 0.000 0.528 230 S N 1.399 117.093 115.700 -0.010 0.000 2.572 230 S HA -0.010 4.451 4.470 -0.015 0.000 0.279 230 S C 1.228 175.816 174.600 -0.019 0.000 1.341 230 S CA -0.114 58.077 58.200 -0.016 0.000 1.043 230 S CB 0.791 63.974 63.200 -0.028 0.000 0.887 230 S HN 0.408 nan 8.310 nan 0.000 0.516 231 T N 1.506 116.051 114.554 -0.016 0.000 3.144 231 T HA 0.355 4.696 4.350 -0.015 0.000 0.249 231 T C 0.233 174.914 174.700 -0.031 0.000 1.089 231 T CA 0.007 62.096 62.100 -0.018 0.000 0.989 231 T CB -0.183 68.680 68.868 -0.009 0.000 0.992 231 T HN 0.507 nan 8.240 nan 0.000 0.540 232 K N 1.774 122.147 120.400 -0.046 0.000 2.395 232 K HA 0.497 4.808 4.320 -0.015 0.000 0.247 232 K C -3.002 173.510 176.600 -0.148 0.000 0.973 232 K CA -2.837 53.398 56.287 -0.086 0.000 0.828 232 K CB 1.837 34.303 32.500 -0.056 0.000 1.272 232 K HN -0.076 nan 8.250 nan 0.000 0.439 233 P HA -0.094 nan 4.420 nan 0.000 0.264 233 P C -0.605 176.482 177.300 -0.354 0.000 1.183 233 P CA -0.117 62.727 63.100 -0.428 0.000 0.763 233 P CB 0.419 31.587 31.700 -0.887 0.000 0.807 234 C N 5.302 124.515 119.300 -0.145 0.000 2.408 234 C HA 0.650 5.101 4.460 -0.015 0.000 0.321 234 C C -0.615 174.397 174.990 0.035 0.000 1.245 234 C CA -0.718 58.308 59.018 0.014 0.000 1.523 234 C CB 0.107 27.813 27.740 -0.055 0.000 2.178 234 C HN 0.588 nan 8.230 nan 0.000 0.488 235 L N 7.364 128.624 121.223 0.062 0.000 2.313 235 L HA 0.690 5.021 4.340 -0.015 0.000 0.283 235 L C -0.662 176.116 176.870 -0.154 0.000 1.013 235 L CA -0.084 54.648 54.840 -0.182 0.000 0.816 235 L CB 1.069 42.827 42.059 -0.502 0.000 1.236 235 L HN 0.660 nan 8.230 nan 0.000 0.419 236 I N 6.604 127.082 120.570 -0.154 0.000 2.297 236 I HA 0.301 4.462 4.170 -0.015 0.000 0.291 236 I C -0.235 175.807 176.117 -0.126 0.000 1.033 236 I CA -0.250 60.975 61.300 -0.124 0.000 1.253 236 I CB 0.883 38.816 38.000 -0.112 0.000 1.396 236 I HN 0.501 nan 8.210 nan 0.000 0.476 237 I N 6.554 127.055 120.570 -0.115 0.000 2.308 237 I HA 0.297 4.458 4.170 -0.015 0.000 0.293 237 I C 0.531 176.536 176.117 -0.187 0.000 1.078 237 I CA -0.122 61.104 61.300 -0.123 0.000 1.292 237 I CB 0.739 38.698 38.000 -0.069 0.000 1.423 237 I HN 0.599 nan 8.210 nan 0.000 0.493 238 A N 7.390 130.055 122.820 -0.258 0.000 2.273 238 A HA 0.316 4.627 4.320 -0.015 0.000 0.320 238 A C 0.026 177.421 177.584 -0.316 0.000 1.358 238 A CA -0.674 51.206 52.037 -0.262 0.000 0.910 238 A CB 0.388 19.237 19.000 -0.251 0.000 1.159 238 A HN 0.713 nan 8.150 nan 0.000 0.526 239 K N 2.578 122.821 120.400 -0.262 0.000 2.349 239 K HA 0.352 4.663 4.320 -0.015 0.000 0.288 239 K C 0.080 176.521 176.600 -0.264 0.000 1.058 239 K CA 0.398 56.544 56.287 -0.235 0.000 0.953 239 K CB 0.307 32.715 32.500 -0.153 0.000 0.997 239 K HN 0.811 nan 8.250 nan 0.000 0.477 240 T N -0.184 114.230 114.554 -0.234 0.000 2.887 240 T HA 0.371 4.711 4.350 -0.015 0.000 0.292 240 T C -0.431 174.300 174.700 0.052 0.000 1.087 240 T CA -0.841 61.130 62.100 -0.215 0.000 1.009 240 T CB 1.758 70.448 68.868 -0.298 0.000 1.203 240 T HN 0.299 nan 8.240 nan 0.000 0.518 241 T N 1.895 116.643 114.554 0.324 0.000 2.771 241 T HA 0.472 4.813 4.350 -0.015 0.000 0.281 241 T C 0.216 174.981 174.700 0.107 0.000 0.982 241 T CA -0.578 61.609 62.100 0.145 0.000 0.978 241 T CB 0.570 69.478 68.868 0.067 0.000 0.930 241 T HN 0.710 nan 8.240 nan 0.000 0.447 242 I N 3.085 123.693 120.570 0.064 0.000 2.710 242 I HA 0.242 4.403 4.170 -0.015 0.000 0.286 242 I C 0.990 177.128 176.117 0.035 0.000 1.181 242 I CA 0.455 61.792 61.300 0.061 0.000 1.430 242 I CB 0.237 38.286 38.000 0.082 0.000 1.367 242 I HN 1.004 nan 8.210 nan 0.000 0.577 243 A N 4.427 127.261 122.820 0.023 0.000 2.832 243 A HA -0.263 4.048 4.320 -0.015 0.000 0.280 243 A C 0.667 178.224 177.584 -0.046 0.000 1.464 243 A CA 1.143 53.174 52.037 -0.010 0.000 0.804 243 A CB -1.888 17.111 19.000 -0.001 0.000 1.020 243 A HN 0.800 nan 8.150 nan 0.000 0.563 244 K N -0.037 120.323 120.400 -0.067 0.000 2.473 244 K HA 0.343 4.654 4.320 -0.015 0.000 0.277 244 K C 1.524 178.028 176.600 -0.160 0.000 1.052 244 K CA 1.885 58.068 56.287 -0.174 0.000 1.114 244 K CB -0.467 31.814 32.500 -0.364 0.000 0.869 244 K HN 1.872 nan 8.250 nan 0.000 0.481 245 G N 2.409 111.130 108.800 -0.131 0.000 2.213 245 G HA2 -0.230 3.721 3.960 -0.015 0.000 0.226 245 G HA3 -0.230 3.721 3.960 -0.015 0.000 0.226 245 G C 0.459 175.348 174.900 -0.020 0.000 0.992 245 G CA 0.119 45.168 45.100 -0.085 0.000 0.632 245 G HN 0.964 nan 8.290 nan 0.000 0.511 246 A N 0.717 123.523 122.820 -0.024 0.000 2.797 246 A HA 0.663 4.974 4.320 -0.015 0.000 0.287 246 A C 2.286 179.871 177.584 0.001 0.000 1.369 246 A CA 1.369 53.410 52.037 0.007 0.000 0.968 246 A CB -0.938 18.064 19.000 0.002 0.000 1.069 246 A HN 2.348 nan 8.150 nan 0.000 0.571 247 G N 1.760 110.559 108.800 -0.003 0.000 2.692 247 G HA2 -0.513 3.438 3.960 -0.015 0.000 0.339 247 G HA3 -0.513 3.438 3.960 -0.015 0.000 0.339 247 G C 1.180 176.075 174.900 -0.008 0.000 1.226 247 G CA 1.208 46.306 45.100 -0.004 0.000 0.979 247 G HN 1.020 nan 8.290 nan 0.000 0.549 248 E N 0.922 121.119 120.200 -0.006 0.000 2.333 248 E HA 0.078 4.419 4.350 -0.015 0.000 0.198 248 E C 2.401 178.993 176.600 -0.012 0.000 1.007 248 E CA 1.317 57.713 56.400 -0.008 0.000 0.845 248 E CB -0.170 29.526 29.700 -0.007 0.000 0.766 248 E HN 0.570 nan 8.360 nan 0.000 0.507 249 L N 1.133 122.348 121.223 -0.013 0.000 2.592 249 L HA 0.138 4.469 4.340 -0.015 0.000 0.227 249 L C 0.576 177.439 176.870 -0.012 0.000 1.127 249 L CA -0.164 54.665 54.840 -0.018 0.000 0.884 249 L CB -0.037 42.011 42.059 -0.018 0.000 1.065 249 L HN 0.077 nan 8.230 nan 0.000 0.457 250 E N 0.758 120.950 120.200 -0.012 0.000 2.465 250 E HA 0.041 4.382 4.350 -0.015 0.000 0.260 250 E C 1.094 177.695 176.600 0.002 0.000 0.980 250 E CA 0.700 57.092 56.400 -0.013 0.000 0.927 250 E CB 0.402 30.087 29.700 -0.026 0.000 0.934 250 E HN 0.342 nan 8.360 nan 0.000 0.459 251 G N 2.865 111.674 108.800 0.016 0.000 2.166 251 G HA2 -0.329 3.621 3.960 -0.015 0.000 0.260 251 G HA3 -0.329 3.621 3.960 -0.015 0.000 0.260 251 G C 0.308 175.237 174.900 0.048 0.000 0.986 251 G CA 0.721 45.840 45.100 0.033 0.000 0.683 251 G HN 0.520 nan 8.290 nan 0.000 0.527 252 S N -0.014 115.705 115.700 0.031 0.000 2.508 252 S HA 0.521 4.982 4.470 -0.015 0.000 0.284 252 S C 1.716 176.333 174.600 0.027 0.000 1.192 252 S CA 0.329 58.535 58.200 0.011 0.000 1.070 252 S CB 0.549 63.714 63.200 -0.059 0.000 1.004 252 S HN 0.607 nan 8.310 nan 0.000 0.493 253 H N 4.143 123.240 119.070 0.045 0.000 2.521 253 H HA 0.090 4.637 4.556 -0.015 0.000 0.286 253 H C 1.005 176.383 175.328 0.083 0.000 1.034 253 H CA 0.982 57.067 56.048 0.061 0.000 1.278 253 H CB -0.143 29.637 29.762 0.030 0.000 1.386 253 H HN 0.636 nan 8.280 nan 0.000 0.567 254 K N 1.169 121.280 120.400 -0.481 0.000 2.283 254 K HA -0.067 4.244 4.320 -0.015 0.000 0.202 254 K C 2.270 178.828 176.600 -0.071 0.000 1.048 254 K CA 1.160 57.277 56.287 -0.283 0.000 0.948 254 K CB 0.128 32.451 32.500 -0.295 0.000 0.742 254 K HN 0.398 nan 8.250 nan 0.000 0.458 255 S N -0.163 115.521 115.700 -0.025 0.000 2.561 255 S HA -0.116 4.345 4.470 -0.015 0.000 0.225 255 S C 1.746 176.391 174.600 0.075 0.000 0.977 255 S CA 0.616 58.827 58.200 0.019 0.000 0.926 255 S CB -0.272 62.940 63.200 0.020 0.000 0.769 255 S HN 0.444 nan 8.310 nan 0.000 0.533 256 H N 1.856 120.962 119.070 0.060 0.000 2.321 256 H HA 0.147 4.694 4.556 -0.015 0.000 0.300 256 H C 1.588 177.015 175.328 0.164 0.000 1.087 256 H CA 1.935 58.062 56.048 0.132 0.000 1.319 256 H CB -0.578 29.259 29.762 0.125 0.000 1.379 256 H HN 0.465 nan 8.280 nan 0.000 0.501 257 G N -1.523 107.245 108.800 -0.053 0.000 4.299 257 G HA2 0.587 4.538 3.960 -0.015 0.000 0.290 257 G HA3 0.587 4.538 3.960 -0.015 0.000 0.290 257 G C -0.769 174.001 174.900 -0.218 0.000 1.019 257 G CA 0.263 45.212 45.100 -0.251 0.000 0.790 257 G HN 0.647 nan 8.290 nan 0.000 0.452 258 A N 0.121 122.866 122.820 -0.125 0.000 2.594 258 A HA 0.871 5.182 4.320 -0.015 0.000 0.295 258 A C -3.134 174.419 177.584 -0.051 0.000 1.071 258 A CA -1.286 50.702 52.037 -0.082 0.000 0.685 258 A CB 1.418 20.395 19.000 -0.040 0.000 1.285 258 A HN -0.017 nan 8.150 nan 0.000 0.405 259 P HA 0.150 nan 4.420 nan 0.000 0.266 259 P C 0.718 178.013 177.300 -0.009 0.000 1.193 259 P CA 0.019 63.116 63.100 -0.006 0.000 0.770 259 P CB 0.394 32.099 31.700 0.008 0.000 0.836 260 L N 1.075 122.296 121.223 -0.004 0.000 2.217 260 L HA 0.120 4.451 4.340 -0.015 0.000 0.211 260 L C 1.199 178.067 176.870 -0.004 0.000 1.107 260 L CA 1.058 55.895 54.840 -0.005 0.000 0.783 260 L CB -1.002 41.058 42.059 0.002 0.000 0.919 260 L HN 0.714 nan 8.230 nan 0.000 0.442 261 G N -0.065 108.734 108.800 -0.001 0.000 2.697 261 G HA2 -0.160 3.791 3.960 -0.015 0.000 0.686 261 G HA3 -0.160 3.791 3.960 -0.015 0.000 0.686 261 G C 0.043 174.942 174.900 -0.002 0.000 1.179 261 G CA -0.388 44.712 45.100 -0.001 0.000 0.765 261 G HN 0.185 nan 8.290 nan 0.000 0.649 262 E N 0.279 120.479 120.200 -0.001 0.000 2.110 262 E HA -0.131 4.210 4.350 -0.015 0.000 0.193 262 E C 2.167 178.759 176.600 -0.013 0.000 0.988 262 E CA 1.686 58.083 56.400 -0.006 0.000 0.804 262 E CB 0.103 29.803 29.700 -0.001 0.000 0.745 262 E HN 0.752 nan 8.360 nan 0.000 0.458 263 E N 0.258 120.452 120.200 -0.010 0.000 2.158 263 E HA -0.092 4.249 4.350 -0.015 0.000 0.191 263 E C 2.255 178.847 176.600 -0.013 0.000 0.982 263 E CA 0.626 57.018 56.400 -0.013 0.000 0.823 263 E CB 0.159 29.854 29.700 -0.009 0.000 0.766 263 E HN 0.078 nan 8.360 nan 0.000 0.468 264 V N 1.890 121.799 119.914 -0.008 0.000 2.343 264 V HA -0.258 3.853 4.120 -0.015 0.000 0.247 264 V C 2.272 178.367 176.094 0.002 0.000 1.051 264 V CA 1.517 63.816 62.300 -0.002 0.000 1.036 264 V CB -0.399 31.425 31.823 0.001 0.000 0.654 264 V HN 0.253 nan 8.190 nan 0.000 0.451 265 I N -0.617 119.950 120.570 -0.005 0.000 2.226 265 I HA -0.244 3.917 4.170 -0.015 0.000 0.245 265 I C 2.563 178.627 176.117 -0.089 0.000 1.100 265 I CA 1.533 62.823 61.300 -0.016 0.000 1.374 265 I CB -0.429 37.556 38.000 -0.025 0.000 1.057 265 I HN 0.265 nan 8.210 nan 0.000 0.413 266 K N 1.076 121.433 120.400 -0.072 0.000 2.009 266 K HA -0.210 4.101 4.320 -0.015 0.000 0.210 266 K C 2.146 178.699 176.600 -0.079 0.000 1.049 266 K CA 1.590 57.827 56.287 -0.084 0.000 0.929 266 K CB -0.126 32.343 32.500 -0.051 0.000 0.714 266 K HN 0.254 nan 8.250 nan 0.000 0.440 267 K N 0.235 120.610 120.400 -0.042 0.000 2.063 267 K HA -0.147 4.163 4.320 -0.015 0.000 0.208 267 K C 2.216 178.808 176.600 -0.013 0.000 1.048 267 K CA 1.316 57.590 56.287 -0.022 0.000 0.928 267 K CB -0.172 32.324 32.500 -0.006 0.000 0.713 267 K HN 0.154 nan 8.250 nan 0.000 0.442 268 A N 1.852 124.672 122.820 0.001 0.000 1.902 268 A HA -0.196 4.115 4.320 -0.015 0.000 0.217 268 A C 1.950 179.551 177.584 0.029 0.000 1.181 268 A CA 1.545 53.639 52.037 0.095 0.000 0.623 268 A CB -0.283 18.875 19.000 0.262 0.000 0.818 268 A HN 0.188 nan 8.150 nan 0.000 0.443 269 K N -0.358 119.837 120.400 -0.342 0.000 2.057 269 K HA -0.136 4.175 4.320 -0.015 0.000 0.207 269 K C 2.033 178.557 176.600 -0.128 0.000 1.049 269 K CA 1.517 57.441 56.287 -0.605 0.000 0.931 269 K CB -0.176 31.916 32.500 -0.680 0.000 0.714 269 K HN 0.606 nan 8.250 nan 0.000 0.440 270 E N 0.532 120.689 120.200 -0.072 0.000 2.038 270 E HA -0.222 4.118 4.350 -0.015 0.000 0.195 270 E C 2.131 178.755 176.600 0.040 0.000 1.000 270 E CA 1.071 57.468 56.400 -0.005 0.000 0.803 270 E CB 0.025 29.718 29.700 -0.013 0.000 0.750 270 E HN 0.236 nan 8.360 nan 0.000 0.448 271 Q N -0.397 119.431 119.800 0.047 0.000 2.226 271 Q HA -0.090 4.241 4.340 -0.015 0.000 0.204 271 Q C 1.730 177.799 176.000 0.115 0.000 0.975 271 Q CA 1.224 57.069 55.803 0.069 0.000 0.866 271 Q CB -0.113 28.660 28.738 0.059 0.000 0.915 271 Q HN 0.240 nan 8.270 nan 0.000 0.440 272 A N -0.833 122.093 122.820 0.176 0.000 2.275 272 A HA 0.417 4.728 4.320 -0.015 0.000 0.212 272 A C 1.373 179.175 177.584 0.363 0.000 1.201 272 A CA 0.792 52.996 52.037 0.278 0.000 0.843 272 A CB 0.066 19.300 19.000 0.389 0.000 0.873 272 A HN 0.366 nan 8.150 nan 0.000 0.492 273 G N -1.831 107.121 108.800 0.253 0.000 2.141 273 G HA2 -0.232 3.719 3.960 -0.015 0.000 0.242 273 G HA3 -0.232 3.719 3.960 -0.015 0.000 0.242 273 G C -0.143 174.877 174.900 0.200 0.000 0.982 273 G CA 0.161 45.375 45.100 0.190 0.000 0.662 273 G HN 0.270 nan 8.290 nan 0.000 0.527 274 F N 0.903 120.837 119.950 -0.026 0.000 2.397 274 F HA 0.542 5.060 4.527 -0.015 0.000 0.331 274 F C 0.614 176.323 175.800 -0.153 0.000 1.090 274 F CA -1.547 56.402 58.000 -0.085 0.000 1.065 274 F CB 1.205 40.100 39.000 -0.175 0.000 1.184 274 F HN 0.003 nan 8.300 nan 0.000 0.499 275 D N 4.318 124.699 120.400 -0.032 0.000 2.371 275 D HA 0.097 4.728 4.640 -0.015 0.000 0.256 275 D C -1.643 174.609 176.300 -0.080 0.000 1.193 275 D CA -1.843 52.108 54.000 -0.083 0.000 0.881 275 D CB 1.262 41.969 40.800 -0.155 0.000 1.143 275 D HN 0.165 nan 8.370 nan 0.000 0.473 276 P HA -0.007 nan 4.420 nan 0.000 0.236 276 P C 0.268 177.525 177.300 -0.072 0.000 1.177 276 P CA 0.294 63.333 63.100 -0.102 0.000 0.773 276 P CB 0.492 32.141 31.700 -0.085 0.000 0.878 277 N N 0.406 119.073 118.700 -0.055 0.000 2.268 277 N HA 0.143 4.874 4.740 -0.015 0.000 0.204 277 N C 0.774 176.271 175.510 -0.020 0.000 1.124 277 N CA 0.085 53.115 53.050 -0.034 0.000 0.838 277 N CB 0.305 38.775 38.487 -0.029 0.000 0.994 277 N HN 0.397 nan 8.380 nan 0.000 0.489 278 I N -2.554 118.000 120.570 -0.025 0.000 2.892 278 I HA 0.632 4.793 4.170 -0.015 0.000 0.306 278 I C -0.276 175.869 176.117 0.048 0.000 1.078 278 I CA -1.071 60.240 61.300 0.017 0.000 1.032 278 I CB 2.319 40.319 38.000 -0.000 0.000 1.229 278 I HN -0.199 nan 8.210 nan 0.000 0.435 279 S N 1.741 117.515 115.700 0.125 0.000 2.634 279 S HA 0.739 5.200 4.470 -0.015 0.000 0.296 279 S C -0.377 174.404 174.600 0.301 0.000 1.104 279 S CA -0.574 57.702 58.200 0.127 0.000 0.920 279 S CB 1.236 64.515 63.200 0.132 0.000 1.111 279 S HN 0.871 nan 8.310 nan 0.000 0.493 280 F N -0.711 119.314 119.950 0.125 0.000 3.039 280 F HA -0.153 4.365 4.527 -0.015 0.000 0.287 280 F C 0.241 176.139 175.800 0.162 0.000 0.956 280 F CA 0.971 59.038 58.000 0.112 0.000 0.971 280 F CB -2.174 36.854 39.000 0.047 0.000 0.943 280 F HN 0.954 nan 8.300 nan 0.000 0.766 281 H N 1.290 120.493 119.070 0.222 0.000 2.488 281 H HA 0.710 5.257 4.556 -0.015 0.000 0.322 281 H C -0.200 175.274 175.328 0.244 0.000 1.078 281 H CA -0.658 55.513 56.048 0.205 0.000 1.260 281 H CB 0.700 30.567 29.762 0.175 0.000 1.425 281 H HN 0.237 nan 8.280 nan 0.000 0.471 282 I N 8.590 128.936 120.570 -0.373 0.000 2.359 282 I HA 0.264 4.425 4.170 -0.015 0.000 0.284 282 I C -2.121 173.719 176.117 -0.461 0.000 1.018 282 I CA -2.168 59.007 61.300 -0.208 0.000 1.173 282 I CB 1.444 39.447 38.000 0.005 0.000 1.326 282 I HN 0.543 nan 8.210 nan 0.000 0.462 283 P HA 0.040 nan 4.420 nan 0.000 0.269 283 P C 0.366 177.632 177.300 -0.057 0.000 1.215 283 P CA -0.271 62.734 63.100 -0.158 0.000 0.780 283 P CB 0.832 32.486 31.700 -0.076 0.000 0.898 284 Q N 1.418 121.201 119.800 -0.029 0.000 2.030 284 Q HA -0.202 4.129 4.340 -0.015 0.000 0.204 284 Q C 2.075 178.078 176.000 0.005 0.000 0.986 284 Q CA 2.507 58.306 55.803 -0.007 0.000 0.843 284 Q CB -0.993 27.745 28.738 0.000 0.000 0.904 284 Q HN 0.620 nan 8.270 nan 0.000 0.420 285 A N 0.334 123.157 122.820 0.005 0.000 1.883 285 A HA -0.178 4.133 4.320 -0.015 0.000 0.217 285 A C 2.482 180.069 177.584 0.004 0.000 1.186 285 A CA 1.972 54.010 52.037 0.001 0.000 0.624 285 A CB -0.648 18.351 19.000 -0.001 0.000 0.822 285 A HN 0.336 nan 8.150 nan 0.000 0.444 286 S N -0.648 115.076 115.700 0.041 0.000 2.353 286 S HA -0.188 4.273 4.470 -0.015 0.000 0.222 286 S C 2.036 176.739 174.600 0.171 0.000 1.035 286 S CA 1.669 59.925 58.200 0.094 0.000 1.025 286 S CB -0.300 63.038 63.200 0.231 0.000 0.902 286 S HN 0.666 nan 8.310 nan 0.000 0.440 287 K N 0.767 121.252 120.400 0.142 0.000 2.034 287 K HA -0.161 4.150 4.320 -0.015 0.000 0.214 287 K C 1.965 178.607 176.600 0.070 0.000 1.051 287 K CA 1.729 58.084 56.287 0.114 0.000 0.931 287 K CB -0.334 32.192 32.500 0.043 0.000 0.715 287 K HN 0.313 nan 8.250 nan 0.000 0.446 288 I N 0.205 120.789 120.570 0.024 0.000 2.252 288 I HA -0.218 3.943 4.170 -0.015 0.000 0.245 288 I C 2.624 178.725 176.117 -0.028 0.000 1.102 288 I CA 0.782 62.078 61.300 -0.007 0.000 1.385 288 I CB -0.157 37.834 38.000 -0.015 0.000 1.064 288 I HN 0.148 nan 8.210 nan 0.000 0.414 289 R N 1.009 121.475 120.500 -0.057 0.000 2.066 289 R HA -0.139 4.192 4.340 -0.015 0.000 0.232 289 R C 2.048 178.233 176.300 -0.192 0.000 1.131 289 R CA 1.844 57.854 56.100 -0.150 0.000 0.955 289 R CB -0.919 29.257 30.300 -0.207 0.000 0.851 289 R HN 0.134 nan 8.270 nan 0.000 0.432 290 F N 1.688 121.604 119.950 -0.056 0.000 2.102 290 F HA -0.128 4.390 4.527 -0.015 0.000 0.298 290 F C 2.176 177.913 175.800 -0.105 0.000 1.105 290 F CA 2.011 59.972 58.000 -0.064 0.000 1.239 290 F CB -0.599 38.386 39.000 -0.026 0.000 0.991 290 F HN 0.337 nan 8.300 nan 0.000 0.474 291 E N -0.047 120.202 120.200 0.083 0.000 2.418 291 E HA -0.125 4.216 4.350 -0.015 0.000 0.197 291 E C 1.926 178.488 176.600 -0.064 0.000 1.026 291 E CA 0.960 57.344 56.400 -0.027 0.000 0.862 291 E CB -0.572 29.097 29.700 -0.052 0.000 0.799 291 E HN 0.393 nan 8.360 nan 0.000 0.518 292 S N 0.990 116.654 115.700 -0.060 0.000 2.442 292 S HA -0.093 4.368 4.470 -0.015 0.000 0.236 292 S C 2.185 176.725 174.600 -0.100 0.000 1.007 292 S CA 0.716 58.868 58.200 -0.080 0.000 0.965 292 S CB -0.217 62.933 63.200 -0.083 0.000 0.773 292 S HN 0.426 nan 8.310 nan 0.000 0.504 293 A N 1.470 124.228 122.820 -0.104 0.000 1.997 293 A HA -0.035 4.276 4.320 -0.015 0.000 0.221 293 A C 2.358 179.796 177.584 -0.244 0.000 1.172 293 A CA 1.896 53.828 52.037 -0.174 0.000 0.645 293 A CB -1.230 17.649 19.000 -0.202 0.000 0.813 293 A HN 0.524 nan 8.150 nan 0.000 0.454 294 V N 0.150 119.938 119.914 -0.209 0.000 2.233 294 V HA -0.313 3.798 4.120 -0.015 0.000 0.247 294 V C 2.607 178.596 176.094 -0.175 0.000 1.050 294 V CA 2.444 64.616 62.300 -0.214 0.000 1.010 294 V CB -0.802 30.915 31.823 -0.176 0.000 0.637 294 V HN 0.868 nan 8.190 nan 0.000 0.444 295 E N 0.151 120.272 120.200 -0.132 0.000 2.051 295 E HA -0.222 4.119 4.350 -0.015 0.000 0.192 295 E C 2.229 178.763 176.600 -0.110 0.000 0.991 295 E CA 1.572 57.906 56.400 -0.109 0.000 0.799 295 E CB -0.231 29.421 29.700 -0.081 0.000 0.748 295 E HN 0.574 nan 8.360 nan 0.000 0.449 296 L N 0.435 121.596 121.223 -0.104 0.000 2.083 296 L HA -0.062 4.269 4.340 -0.015 0.000 0.209 296 L C 2.660 179.466 176.870 -0.107 0.000 1.083 296 L CA 1.212 56.004 54.840 -0.082 0.000 0.752 296 L CB -0.469 41.558 42.059 -0.053 0.000 0.899 296 L HN 0.332 nan 8.230 nan 0.000 0.433 297 G N -0.696 108.006 108.800 -0.163 0.000 2.403 297 G HA2 -0.281 3.670 3.960 -0.015 0.000 0.216 297 G HA3 -0.281 3.670 3.960 -0.015 0.000 0.216 297 G C 1.170 175.899 174.900 -0.285 0.000 1.154 297 G CA 0.818 45.793 45.100 -0.209 0.000 0.784 297 G HN 0.368 nan 8.290 nan 0.000 0.538 298 D N -0.042 120.216 120.400 -0.236 0.000 2.123 298 D HA -0.114 4.517 4.640 -0.015 0.000 0.196 298 D C 2.300 178.471 176.300 -0.215 0.000 0.992 298 D CA 0.698 54.562 54.000 -0.226 0.000 0.833 298 D CB -0.167 40.535 40.800 -0.164 0.000 0.954 298 D HN 0.164 nan 8.370 nan 0.000 0.455 299 L N 0.595 121.722 121.223 -0.161 0.000 2.056 299 L HA -0.069 4.262 4.340 -0.015 0.000 0.207 299 L C 2.182 178.974 176.870 -0.130 0.000 1.078 299 L CA 1.490 56.260 54.840 -0.117 0.000 0.749 299 L CB -0.477 41.539 42.059 -0.071 0.000 0.901 299 L HN 0.021 nan 8.230 nan 0.000 0.433 300 E N -0.437 119.668 120.200 -0.159 0.000 2.058 300 E HA -0.295 4.046 4.350 -0.015 0.000 0.194 300 E C 2.053 178.419 176.600 -0.391 0.000 0.997 300 E CA 1.419 57.731 56.400 -0.147 0.000 0.801 300 E CB -0.166 29.513 29.700 -0.036 0.000 0.746 300 E HN 0.611 nan 8.360 nan 0.000 0.450 301 E N 0.527 120.234 120.200 -0.821 0.000 2.077 301 E HA -0.167 4.174 4.350 -0.015 0.000 0.193 301 E C 2.016 178.431 176.600 -0.309 0.000 0.989 301 E CA 1.024 56.797 56.400 -1.044 0.000 0.800 301 E CB -0.022 28.991 29.700 -1.145 0.000 0.746 301 E HN 0.177 nan 8.360 nan 0.000 0.452 302 A N 1.294 123.988 122.820 -0.210 0.000 1.908 302 A HA -0.229 4.082 4.320 -0.015 0.000 0.218 302 A C 2.023 179.600 177.584 -0.012 0.000 1.181 302 A CA 1.782 53.769 52.037 -0.082 0.000 0.627 302 A CB -0.379 18.570 19.000 -0.085 0.000 0.818 302 A HN 0.161 nan 8.150 nan 0.000 0.445 303 K N -2.034 118.370 120.400 0.007 0.000 2.057 303 K HA -0.199 4.112 4.320 -0.015 0.000 0.207 303 K C 1.816 178.495 176.600 0.132 0.000 1.049 303 K CA 1.536 57.859 56.287 0.059 0.000 0.931 303 K CB -0.264 32.282 32.500 0.077 0.000 0.714 303 K HN 0.714 nan 8.250 nan 0.000 0.440 304 W N 2.467 123.784 121.300 0.028 0.000 2.355 304 W HA -0.149 4.501 4.660 -0.017 0.000 0.309 304 W C 1.606 178.179 176.519 0.090 0.000 1.206 304 W CA 1.427 58.852 57.345 0.134 0.000 1.284 304 W CB 0.101 29.770 29.460 0.348 0.000 1.145 304 W HN -0.124 nan 8.180 nan 0.000 0.502 305 K N -0.134 120.361 120.400 0.159 0.000 2.152 305 K HA -0.189 4.122 4.320 -0.015 0.000 0.206 305 K C 1.475 177.994 176.600 -0.135 0.000 1.048 305 K CA 1.629 57.895 56.287 -0.035 0.000 0.933 305 K CB -0.387 32.153 32.500 0.068 0.000 0.721 305 K HN 0.142 nan 8.250 nan 0.000 0.447 306 D N 0.914 121.265 120.400 -0.081 0.000 2.117 306 D HA -0.117 4.514 4.640 -0.015 0.000 0.198 306 D C 1.678 177.902 176.300 -0.127 0.000 0.982 306 D CA 1.182 55.132 54.000 -0.083 0.000 0.828 306 D CB 0.008 40.783 40.800 -0.041 0.000 0.967 306 D HN 0.172 nan 8.370 nan 0.000 0.464 307 K N 0.156 120.455 120.400 -0.168 0.000 2.097 307 K HA -0.114 4.197 4.320 -0.015 0.000 0.206 307 K C 2.060 178.482 176.600 -0.296 0.000 1.049 307 K CA 0.370 56.537 56.287 -0.199 0.000 0.933 307 K CB -0.169 32.219 32.500 -0.187 0.000 0.717 307 K HN 0.038 nan 8.250 nan 0.000 0.442 308 L N 1.856 122.783 121.223 -0.493 0.000 2.046 308 L HA -0.187 4.144 4.340 -0.015 0.000 0.208 308 L C 2.151 178.880 176.870 -0.235 0.000 1.077 308 L CA 1.881 56.446 54.840 -0.459 0.000 0.747 308 L CB -0.399 41.286 42.059 -0.624 0.000 0.896 308 L HN 0.086 nan 8.230 nan 0.000 0.432 309 E N -0.227 119.864 120.200 -0.182 0.000 2.150 309 E HA -0.210 4.131 4.350 -0.015 0.000 0.193 309 E C 2.013 178.562 176.600 -0.085 0.000 0.985 309 E CA 1.344 57.680 56.400 -0.107 0.000 0.814 309 E CB -0.058 29.593 29.700 -0.081 0.000 0.752 309 E HN 0.472 nan 8.360 nan 0.000 0.466 310 K N -0.198 120.148 120.400 -0.090 0.000 2.432 310 K HA 0.094 4.405 4.320 -0.015 0.000 0.196 310 K C 0.510 177.072 176.600 -0.063 0.000 1.038 310 K CA 0.054 56.302 56.287 -0.065 0.000 0.986 310 K CB 0.249 32.714 32.500 -0.057 0.000 0.782 310 K HN -0.073 nan 8.250 nan 0.000 0.485 311 S N 0.070 115.720 115.700 -0.083 0.000 2.565 311 S HA 0.246 4.707 4.470 -0.015 0.000 0.276 311 S C 1.011 175.584 174.600 -0.045 0.000 1.326 311 S CA -0.438 57.721 58.200 -0.068 0.000 1.045 311 S CB 1.236 64.379 63.200 -0.095 0.000 0.918 311 S HN 0.317 nan 8.310 nan 0.000 0.505 312 A N 4.269 127.072 122.820 -0.029 0.000 2.216 312 A HA 0.075 4.386 4.320 -0.015 0.000 0.214 312 A C 1.462 179.038 177.584 -0.013 0.000 1.160 312 A CA 0.902 52.928 52.037 -0.018 0.000 0.725 312 A CB -0.123 18.871 19.000 -0.011 0.000 0.784 312 A HN 0.665 nan 8.150 nan 0.000 0.472 313 K N -0.206 120.185 120.400 -0.016 0.000 2.399 313 K HA 0.190 4.501 4.320 -0.015 0.000 0.204 313 K C 0.916 177.514 176.600 -0.004 0.000 1.023 313 K CA 0.017 56.303 56.287 -0.002 0.000 1.127 313 K CB 0.300 32.807 32.500 0.012 0.000 0.856 313 K HN 0.480 nan 8.250 nan 0.000 0.514 314 K N 1.139 121.527 120.400 -0.020 0.000 2.057 314 K HA -0.109 4.202 4.320 -0.015 0.000 0.207 314 K C 1.597 178.197 176.600 -0.001 0.000 1.049 314 K CA 1.226 57.502 56.287 -0.019 0.000 0.931 314 K CB 0.199 32.681 32.500 -0.030 0.000 0.714 314 K HN 0.216 nan 8.250 nan 0.000 0.440 315 E N 0.713 120.911 120.200 -0.002 0.000 2.072 315 E HA -0.193 4.148 4.350 -0.015 0.000 0.191 315 E C 2.027 178.632 176.600 0.008 0.000 0.985 315 E CA 0.753 57.154 56.400 0.001 0.000 0.801 315 E CB -0.051 29.648 29.700 -0.002 0.000 0.750 315 E HN 0.087 nan 8.360 nan 0.000 0.452 316 L N 1.226 122.456 121.223 0.012 0.000 1.989 316 L HA -0.183 4.148 4.340 -0.015 0.000 0.211 316 L C 2.259 179.145 176.870 0.027 0.000 1.071 316 L CA 1.455 56.308 54.840 0.021 0.000 0.749 316 L CB -0.694 41.381 42.059 0.026 0.000 0.890 316 L HN 0.141 nan 8.230 nan 0.000 0.431 317 L N -0.345 120.899 121.223 0.034 0.000 2.079 317 L HA -0.171 4.160 4.340 -0.015 0.000 0.210 317 L C 2.417 179.312 176.870 0.042 0.000 1.081 317 L CA 1.752 56.623 54.840 0.051 0.000 0.752 317 L CB -0.939 41.168 42.059 0.080 0.000 0.896 317 L HN 0.353 nan 8.230 nan 0.000 0.433 318 E N -0.170 120.049 120.200 0.031 0.000 2.150 318 E HA -0.180 4.161 4.350 -0.015 0.000 0.193 318 E C 2.318 178.924 176.600 0.010 0.000 0.985 318 E CA 0.907 57.321 56.400 0.023 0.000 0.814 318 E CB -0.135 29.575 29.700 0.016 0.000 0.752 318 E HN 0.580 nan 8.360 nan 0.000 0.466 319 R N 0.234 120.737 120.500 0.006 0.000 2.092 319 R HA -0.012 4.319 4.340 -0.015 0.000 0.231 319 R C 2.606 178.906 176.300 0.001 0.000 1.119 319 R CA 0.670 56.767 56.100 -0.005 0.000 0.970 319 R CB -0.300 29.999 30.300 -0.002 0.000 0.864 319 R HN 0.148 nan 8.270 nan 0.000 0.440 320 L N 0.530 121.762 121.223 0.016 0.000 2.046 320 L HA -0.170 4.161 4.340 -0.015 0.000 0.208 320 L C 2.213 179.098 176.870 0.025 0.000 1.077 320 L CA 1.187 56.040 54.840 0.021 0.000 0.747 320 L CB -0.297 41.759 42.059 -0.006 0.000 0.896 320 L HN 0.184 nan 8.230 nan 0.000 0.432 321 L N -0.861 120.377 121.223 0.024 0.000 2.313 321 L HA -0.031 4.300 4.340 -0.015 0.000 0.214 321 L C 0.505 177.390 176.870 0.025 0.000 1.119 321 L CA 0.599 55.461 54.840 0.036 0.000 0.809 321 L CB -0.074 42.012 42.059 0.045 0.000 0.933 321 L HN 0.322 nan 8.230 nan 0.000 0.449 322 N N 0.056 118.752 118.700 -0.007 0.000 2.723 322 N HA 0.236 4.966 4.740 -0.015 0.000 0.290 322 N C -2.492 172.944 175.510 -0.122 0.000 1.882 322 N CA -0.788 52.236 53.050 -0.043 0.000 0.851 322 N CB 0.951 39.422 38.487 -0.026 0.000 1.234 322 N HN -0.002 nan 8.380 nan 0.000 0.491 323 P HA 0.065 nan 4.420 nan 0.000 0.268 323 P C -0.411 176.537 177.300 -0.587 0.000 1.205 323 P CA 0.145 63.020 63.100 -0.375 0.000 0.771 323 P CB 1.083 32.533 31.700 -0.418 0.000 0.858 324 D N 1.750 121.901 120.400 -0.416 0.000 2.473 324 D HA 0.193 4.824 4.640 -0.015 0.000 0.226 324 D C 0.142 176.305 176.300 -0.228 0.000 1.089 324 D CA -0.512 53.310 54.000 -0.297 0.000 0.883 324 D CB -0.083 40.638 40.800 -0.132 0.000 1.029 324 D HN 0.044 nan 8.370 nan 0.000 0.517 325 F N 1.664 121.644 119.950 0.049 0.000 2.416 325 F HA 0.052 4.566 4.527 -0.022 0.000 0.296 325 F C 2.019 177.852 175.800 0.055 0.000 1.099 325 F CA 0.065 58.096 58.000 0.052 0.000 1.427 325 F CB -0.368 38.693 39.000 0.102 0.000 1.079 325 F HN 0.314 nan 8.300 nan 0.000 0.536 326 N N 1.018 119.836 118.700 0.197 0.000 2.396 326 N HA -0.139 4.592 4.740 -0.015 0.000 0.180 326 N C 1.813 177.376 175.510 0.088 0.000 1.028 326 N CA 0.908 54.043 53.050 0.143 0.000 0.893 326 N CB -0.365 38.181 38.487 0.099 0.000 0.967 326 N HN 0.448 nan 8.380 nan 0.000 0.440 327 K N 0.595 121.022 120.400 0.046 0.000 2.432 327 K HA 0.054 4.365 4.320 -0.015 0.000 0.196 327 K C 0.443 177.030 176.600 -0.022 0.000 1.038 327 K CA 0.152 56.443 56.287 0.007 0.000 0.986 327 K CB 0.081 32.571 32.500 -0.018 0.000 0.782 327 K HN 0.055 nan 8.250 nan 0.000 0.485 328 I N 2.621 123.170 120.570 -0.034 0.000 2.598 328 I HA -0.014 4.147 4.170 -0.015 0.000 0.284 328 I C 0.121 176.128 176.117 -0.182 0.000 1.140 328 I CA -0.399 60.790 61.300 -0.184 0.000 1.420 328 I CB 1.049 38.835 38.000 -0.357 0.000 1.387 328 I HN 0.177 nan 8.210 nan 0.000 0.553 329 A N 7.771 130.470 122.820 -0.202 0.000 2.316 329 A HA 0.440 4.751 4.320 -0.015 0.000 0.311 329 A C -0.687 176.773 177.584 -0.206 0.000 1.339 329 A CA -0.306 51.655 52.037 -0.127 0.000 0.960 329 A CB -0.155 18.786 19.000 -0.097 0.000 1.152 329 A HN 0.591 nan 8.150 nan 0.000 0.547 330 Y N 2.471 122.697 120.300 -0.123 0.000 2.299 330 Y HA 0.365 4.915 4.550 0.001 0.000 0.335 330 Y C -1.490 174.282 175.900 -0.213 0.000 1.287 330 Y CA -1.405 56.601 58.100 -0.157 0.000 1.424 330 Y CB 0.168 38.556 38.460 -0.119 0.000 1.326 330 Y HN 0.521 nan 8.280 nan 0.000 0.567 331 P HA 0.013 nan 4.420 nan 0.000 0.272 331 P C -1.127 175.843 177.300 -0.549 0.000 1.223 331 P CA -0.232 62.589 63.100 -0.465 0.000 0.784 331 P CB 0.537 31.753 31.700 -0.806 0.000 0.923 332 D N 1.292 121.400 120.400 -0.487 0.000 2.412 332 D HA 0.183 4.814 4.640 -0.015 0.000 0.224 332 D C -0.614 175.495 176.300 -0.319 0.000 1.093 332 D CA -0.358 53.468 54.000 -0.290 0.000 0.850 332 D CB -0.086 40.628 40.800 -0.144 0.000 1.046 332 D HN 0.108 nan 8.370 nan 0.000 0.507 333 F N 1.982 121.940 119.950 0.013 0.000 2.641 333 F HA 0.197 4.713 4.527 -0.017 0.000 0.302 333 F C 1.382 177.196 175.800 0.023 0.000 1.098 333 F CA -0.474 57.536 58.000 0.017 0.000 1.318 333 F CB -0.114 38.898 39.000 0.020 0.000 1.035 333 F HN 0.193 nan 8.300 nan 0.000 0.551 334 K N 0.777 121.266 120.400 0.147 0.000 2.472 334 K HA 0.220 4.531 4.320 -0.015 0.000 0.280 334 K C 1.303 177.965 176.600 0.103 0.000 1.028 334 K CA 1.104 57.458 56.287 0.111 0.000 1.045 334 K CB -0.020 32.518 32.500 0.065 0.000 0.902 334 K HN 0.482 nan 8.250 nan 0.000 0.478 335 G N 3.415 112.280 108.800 0.109 0.000 2.162 335 G HA2 -0.276 3.675 3.960 -0.015 0.000 0.260 335 G HA3 -0.276 3.675 3.960 -0.015 0.000 0.260 335 G C -0.384 174.568 174.900 0.086 0.000 0.976 335 G CA 0.286 45.443 45.100 0.094 0.000 0.655 335 G HN 0.614 nan 8.290 nan 0.000 0.533 336 K N 1.169 121.635 120.400 0.111 0.000 2.240 336 K HA 0.361 4.672 4.320 -0.015 0.000 0.271 336 K C -1.012 175.627 176.600 0.066 0.000 1.018 336 K CA -0.808 55.540 56.287 0.101 0.000 0.874 336 K CB 1.094 33.698 32.500 0.173 0.000 1.098 336 K HN 0.071 nan 8.250 nan 0.000 0.458 337 D N 4.058 124.474 120.400 0.027 0.000 2.343 337 D HA 0.256 4.887 4.640 -0.015 0.000 0.255 337 D C -0.288 176.004 176.300 -0.013 0.000 1.187 337 D CA -0.076 53.921 54.000 -0.006 0.000 0.875 337 D CB 0.490 41.266 40.800 -0.040 0.000 1.136 337 D HN 0.226 nan 8.370 nan 0.000 0.469 338 L N -0.816 120.387 121.223 -0.034 0.000 2.540 338 L HA 0.778 5.109 4.340 -0.015 0.000 0.256 338 L C -0.516 176.318 176.870 -0.060 0.000 1.001 338 L CA -1.601 53.208 54.840 -0.053 0.000 0.843 338 L CB 0.867 42.869 42.059 -0.096 0.000 1.436 338 L HN 0.183 nan 8.230 nan 0.000 0.410 339 A N -0.062 122.729 122.820 -0.049 0.000 2.425 339 A HA 0.505 4.816 4.320 -0.015 0.000 0.249 339 A C 1.174 178.719 177.584 -0.065 0.000 1.084 339 A CA 0.377 52.388 52.037 -0.043 0.000 0.781 339 A CB 0.016 18.997 19.000 -0.031 0.000 1.019 339 A HN 1.107 nan 8.150 nan 0.000 0.490 340 T N -0.187 114.337 114.554 -0.050 0.000 3.085 340 T HA -0.118 4.223 4.350 -0.015 0.000 0.263 340 T C 1.528 176.212 174.700 -0.026 0.000 1.127 340 T CA 0.960 63.024 62.100 -0.061 0.000 1.103 340 T CB -0.346 68.507 68.868 -0.024 0.000 0.921 340 T HN 0.839 nan 8.240 nan 0.000 0.510 341 R N 1.617 122.122 120.500 0.008 0.000 2.120 341 R HA -0.071 4.260 4.340 -0.015 0.000 0.234 341 R C 1.415 177.730 176.300 0.025 0.000 1.123 341 R CA 1.680 57.812 56.100 0.052 0.000 0.975 341 R CB -0.561 29.804 30.300 0.110 0.000 0.866 341 R HN 0.255 nan 8.270 nan 0.000 0.446 342 D N 1.235 121.630 120.400 -0.008 0.000 2.120 342 D HA -0.097 4.534 4.640 -0.015 0.000 0.202 342 D C 2.249 178.511 176.300 -0.063 0.000 0.972 342 D CA 1.880 55.873 54.000 -0.011 0.000 0.837 342 D CB -0.203 40.592 40.800 -0.008 0.000 0.989 342 D HN 0.390 nan 8.370 nan 0.000 0.469 343 S N 0.885 116.458 115.700 -0.211 0.000 2.383 343 S HA -0.204 4.257 4.470 -0.015 0.000 0.229 343 S C 1.722 176.240 174.600 -0.136 0.000 1.030 343 S CA 1.193 59.119 58.200 -0.455 0.000 1.002 343 S CB -0.509 62.162 63.200 -0.881 0.000 0.829 343 S HN 0.225 nan 8.310 nan 0.000 0.467 344 N N 2.020 120.673 118.700 -0.077 0.000 2.216 344 N HA -0.056 4.675 4.740 -0.015 0.000 0.183 344 N C 1.972 177.442 175.510 -0.068 0.000 1.017 344 N CA 1.221 54.256 53.050 -0.026 0.000 0.861 344 N CB -0.685 37.806 38.487 0.007 0.000 0.986 344 N HN 0.551 nan 8.380 nan 0.000 0.428 345 G N 1.194 109.972 108.800 -0.037 0.000 2.422 345 G HA2 -0.193 3.758 3.960 -0.015 0.000 0.218 345 G HA3 -0.193 3.758 3.960 -0.015 0.000 0.218 345 G C 1.448 176.330 174.900 -0.030 0.000 1.146 345 G CA 0.361 45.435 45.100 -0.043 0.000 0.769 345 G HN 0.364 nan 8.290 nan 0.000 0.547 346 E N 0.353 120.578 120.200 0.043 0.000 2.077 346 E HA -0.100 4.241 4.350 -0.015 0.000 0.193 346 E C 2.576 179.165 176.600 -0.019 0.000 0.989 346 E CA 0.711 57.160 56.400 0.081 0.000 0.800 346 E CB -0.148 29.704 29.700 0.255 0.000 0.746 346 E HN 0.525 nan 8.360 nan 0.000 0.452 347 I N 1.046 121.584 120.570 -0.052 0.000 2.252 347 I HA -0.273 3.888 4.170 -0.015 0.000 0.245 347 I C 2.534 178.348 176.117 -0.506 0.000 1.102 347 I CA 0.794 61.950 61.300 -0.240 0.000 1.385 347 I CB -0.309 37.530 38.000 -0.269 0.000 1.064 347 I HN 0.051 nan 8.210 nan 0.000 0.414 348 L N 0.501 121.437 121.223 -0.478 0.000 2.013 348 L HA -0.288 4.043 4.340 -0.015 0.000 0.212 348 L C 2.398 179.094 176.870 -0.291 0.000 1.073 348 L CA 1.574 56.133 54.840 -0.468 0.000 0.753 348 L CB -0.861 40.947 42.059 -0.418 0.000 0.890 348 L HN 0.386 nan 8.230 nan 0.000 0.432 349 N N -0.293 118.291 118.700 -0.193 0.000 2.120 349 N HA -0.157 4.574 4.740 -0.015 0.000 0.188 349 N C 1.853 177.263 175.510 -0.167 0.000 1.024 349 N CA 1.530 54.513 53.050 -0.112 0.000 0.852 349 N CB -0.121 38.352 38.487 -0.023 0.000 1.003 349 N HN 0.151 nan 8.380 nan 0.000 0.424 350 V N 2.161 121.928 119.914 -0.246 0.000 2.295 350 V HA -0.194 3.917 4.120 -0.015 0.000 0.246 350 V C 2.456 178.298 176.094 -0.419 0.000 1.049 350 V CA 1.280 63.394 62.300 -0.310 0.000 1.024 350 V CB -0.495 31.113 31.823 -0.359 0.000 0.648 350 V HN 0.243 nan 8.190 nan 0.000 0.447 351 L N 0.060 120.911 121.223 -0.619 0.000 2.083 351 L HA -0.132 4.199 4.340 -0.015 0.000 0.209 351 L C 2.687 179.230 176.870 -0.545 0.000 1.083 351 L CA 1.495 55.835 54.840 -0.834 0.000 0.752 351 L CB -0.764 40.320 42.059 -1.626 0.000 0.899 351 L HN 0.359 nan 8.230 nan 0.000 0.433 352 A N -0.108 122.553 122.820 -0.265 0.000 1.969 352 A HA -0.185 4.126 4.320 -0.015 0.000 0.218 352 A C 2.317 179.909 177.584 0.014 0.000 1.169 352 A CA 1.432 53.525 52.037 0.093 0.000 0.635 352 A CB -0.256 18.853 19.000 0.181 0.000 0.810 352 A HN 0.288 nan 8.150 nan 0.000 0.445 353 K N -0.359 120.000 120.400 -0.069 0.000 2.155 353 K HA -0.004 4.307 4.320 -0.015 0.000 0.203 353 K C 1.441 178.001 176.600 -0.068 0.000 1.052 353 K CA 1.102 57.356 56.287 -0.056 0.000 0.948 353 K CB -0.063 32.392 32.500 -0.075 0.000 0.728 353 K HN 0.441 nan 8.250 nan 0.000 0.448 354 N N 0.071 118.698 118.700 -0.121 0.000 2.415 354 N HA 0.032 4.763 4.740 -0.015 0.000 0.176 354 N C -0.246 175.236 175.510 -0.047 0.000 1.042 354 N CA 0.562 53.547 53.050 -0.109 0.000 0.902 354 N CB 0.539 38.919 38.487 -0.178 0.000 0.986 354 N HN 0.050 nan 8.380 nan 0.000 0.447 355 L N 1.108 122.327 121.223 -0.007 0.000 2.345 355 L HA 0.276 4.607 4.340 -0.015 0.000 0.274 355 L C 0.823 177.792 176.870 0.166 0.000 0.999 355 L CA -0.303 54.594 54.840 0.095 0.000 0.849 355 L CB 2.190 44.346 42.059 0.162 0.000 1.220 355 L HN -0.148 nan 8.230 nan 0.000 0.422 356 E N 2.263 122.542 120.200 0.132 0.000 2.265 356 E HA -0.114 4.227 4.350 -0.015 0.000 0.196 356 E C 1.720 178.454 176.600 0.223 0.000 0.996 356 E CA 1.144 57.630 56.400 0.143 0.000 0.832 356 E CB 0.214 29.971 29.700 0.095 0.000 0.756 356 E HN 0.881 nan 8.360 nan 0.000 0.491 357 G N -0.073 108.887 108.800 0.267 0.000 3.088 357 G HA2 -0.021 3.930 3.960 -0.015 0.000 0.217 357 G HA3 -0.021 3.930 3.960 -0.015 0.000 0.217 357 G C -0.191 175.003 174.900 0.491 0.000 1.159 357 G CA -0.545 44.784 45.100 0.382 0.000 0.760 357 G HN 0.072 nan 8.290 nan 0.000 0.550 358 F N 2.438 122.549 119.950 0.268 0.000 2.424 358 F HA 0.639 5.158 4.527 -0.013 0.000 0.356 358 F C 0.117 176.028 175.800 0.184 0.000 1.110 358 F CA -1.000 57.150 58.000 0.250 0.000 1.161 358 F CB 0.550 39.660 39.000 0.184 0.000 1.115 358 F HN 0.075 nan 8.300 nan 0.000 0.507 359 L N 3.833 124.891 121.223 -0.276 0.000 2.801 359 L HA 1.084 5.415 4.340 -0.015 0.000 0.264 359 L C -0.686 175.683 176.870 -0.834 0.000 1.086 359 L CA -0.607 54.047 54.840 -0.310 0.000 0.920 359 L CB 1.782 43.709 42.059 -0.219 0.000 1.529 359 L HN 0.771 nan 8.230 nan 0.000 0.399 360 G N -1.578 106.615 108.800 -1.012 0.000 2.351 360 G HA2 0.579 4.530 3.960 -0.015 0.000 0.279 360 G HA3 0.579 4.530 3.960 -0.015 0.000 0.279 360 G C -0.763 173.509 174.900 -1.047 0.000 1.297 360 G CA 0.209 44.426 45.100 -1.471 0.000 0.886 360 G HN 1.720 nan 8.290 nan 0.000 0.493 361 G N -1.552 106.822 108.800 -0.710 0.000 2.341 361 G HA2 0.705 4.656 3.960 -0.015 0.000 0.299 361 G HA3 0.705 4.656 3.960 -0.015 0.000 0.299 361 G C -0.961 174.051 174.900 0.187 0.000 1.274 361 G CA 0.996 46.025 45.100 -0.119 0.000 0.853 361 G HN 1.832 nan 8.290 nan 0.000 0.493 362 S N -1.399 114.425 115.700 0.207 0.000 2.607 362 S HA 0.694 5.155 4.470 -0.015 0.000 0.303 362 S C 0.287 174.993 174.600 0.177 0.000 1.086 362 S CA 0.409 58.712 58.200 0.171 0.000 0.995 362 S CB 1.419 64.692 63.200 0.120 0.000 1.084 362 S HN 1.884 nan 8.310 nan 0.000 0.507 363 A N 2.714 125.578 122.820 0.072 0.000 3.004 363 A HA 0.427 4.738 4.320 -0.015 0.000 0.286 363 A C 0.532 178.106 177.584 -0.015 0.000 1.632 363 A CA 0.271 52.332 52.037 0.040 0.000 1.339 363 A CB -1.430 17.550 19.000 -0.033 0.000 1.136 363 A HN 1.116 nan 8.150 nan 0.000 0.577 364 D N -0.157 120.266 120.400 0.038 0.000 3.077 364 D HA -0.186 4.445 4.640 -0.015 0.000 0.217 364 D C 0.224 176.513 176.300 -0.018 0.000 1.162 364 D CA 1.746 55.755 54.000 0.016 0.000 0.943 364 D CB -1.360 39.426 40.800 -0.024 0.000 1.122 364 D HN 0.512 nan 8.370 nan 0.000 0.413 365 L N -1.173 120.025 121.223 -0.041 0.000 3.066 365 L HA 0.424 4.755 4.340 -0.015 0.000 0.265 365 L C 2.368 179.249 176.870 0.018 0.000 1.232 365 L CA 0.155 54.942 54.840 -0.087 0.000 1.031 365 L CB 0.252 42.115 42.059 -0.327 0.000 1.379 365 L HN 0.177 nan 8.230 nan 0.000 0.563 366 G N 2.028 110.868 108.800 0.066 0.000 2.574 366 G HA2 -0.237 3.714 3.960 -0.015 0.000 0.220 366 G HA3 -0.237 3.714 3.960 -0.015 0.000 0.220 366 G C -0.719 174.243 174.900 0.103 0.000 1.173 366 G CA 0.982 46.137 45.100 0.091 0.000 0.772 366 G HN 0.295 nan 8.290 nan 0.000 0.585 367 P HA 0.005 nan 4.420 nan 0.000 0.220 367 P C 1.961 179.356 177.300 0.158 0.000 1.148 367 P CA 1.694 64.870 63.100 0.126 0.000 0.803 367 P CB 0.093 31.861 31.700 0.114 0.000 0.782 368 S N -1.424 114.383 115.700 0.180 0.000 2.468 368 S HA 0.043 4.504 4.470 -0.015 0.000 0.226 368 S C 1.686 176.497 174.600 0.353 0.000 1.051 368 S CA 0.249 58.623 58.200 0.291 0.000 0.943 368 S CB -0.729 62.671 63.200 0.333 0.000 0.810 368 S HN -0.028 nan 8.310 nan 0.000 0.509 369 N N 1.873 120.719 118.700 0.244 0.000 2.457 369 N HA 0.059 4.790 4.740 -0.015 0.000 0.180 369 N C -0.229 175.389 175.510 0.180 0.000 1.050 369 N CA 0.525 53.723 53.050 0.245 0.000 0.906 369 N CB -0.119 38.475 38.487 0.179 0.000 0.968 369 N HN 0.235 nan 8.380 nan 0.000 0.445 370 K N -0.362 120.128 120.400 0.151 0.000 3.125 370 K HA -0.119 4.192 4.320 -0.015 0.000 0.268 370 K C 0.446 177.074 176.600 0.047 0.000 1.078 370 K CA 0.983 57.334 56.287 0.108 0.000 0.775 370 K CB -2.811 29.754 32.500 0.108 0.000 1.253 370 K HN 0.523 nan 8.250 nan 0.000 0.486 371 T N -3.702 110.879 114.554 0.046 0.000 3.044 371 T HA 0.117 4.458 4.350 -0.015 0.000 0.260 371 T C 0.512 175.217 174.700 0.009 0.000 1.019 371 T CA -0.316 61.793 62.100 0.015 0.000 0.921 371 T CB 0.626 69.581 68.868 0.144 0.000 1.053 371 T HN 0.287 nan 8.240 nan 0.000 0.533 372 E N 1.651 121.808 120.200 -0.070 0.000 2.415 372 E HA 0.185 4.526 4.350 -0.015 0.000 0.263 372 E C -0.732 175.646 176.600 -0.370 0.000 0.995 372 E CA -0.245 56.048 56.400 -0.178 0.000 0.915 372 E CB 0.380 29.961 29.700 -0.198 0.000 0.951 372 E HN 0.478 nan 8.360 nan 0.000 0.449 373 L N 6.267 127.373 121.223 -0.195 0.000 2.270 373 L HA 0.208 4.538 4.340 -0.015 0.000 0.286 373 L C 0.117 176.909 176.870 -0.131 0.000 1.059 373 L CA -0.696 54.063 54.840 -0.135 0.000 0.839 373 L CB 0.328 42.405 42.059 0.029 0.000 1.221 373 L HN 0.450 nan 8.230 nan 0.000 0.431 374 H N 2.796 121.889 119.070 0.038 0.000 2.803 374 H HA 0.271 4.797 4.556 -0.050 0.000 0.330 374 H C 0.572 175.916 175.328 0.027 0.000 1.057 374 H CA 0.007 56.074 56.048 0.033 0.000 1.458 374 H CB 1.253 31.029 29.762 0.024 0.000 1.470 374 H HN 0.767 nan 8.280 nan 0.000 0.560 378 D N -0.227 120.213 120.400 0.066 0.000 2.163 378 D HA 0.487 5.118 4.640 -0.015 0.000 0.248 378 D C -0.091 176.264 176.300 0.093 0.000 1.035 378 D CA -0.240 53.825 54.000 0.108 0.000 0.872 378 D CB 1.788 42.704 40.800 0.192 0.000 1.183 378 D HN 0.251 nan 8.370 nan 0.000 0.445 379 F N 1.685 121.594 119.950 -0.069 0.000 2.629 379 F HA -0.076 4.440 4.527 -0.019 0.000 0.369 379 F C 1.316 177.116 175.800 0.000 0.000 1.125 379 F CA 0.393 58.336 58.000 -0.096 0.000 1.330 379 F CB 0.797 39.658 39.000 -0.231 0.000 1.071 379 F HN 0.110 nan 8.300 nan 0.000 0.595 380 V N 4.685 124.381 119.914 -0.363 0.000 3.052 380 V HA -0.084 4.027 4.120 -0.015 0.000 0.254 380 V C 1.599 177.402 176.094 -0.485 0.000 1.100 380 V CA 1.573 63.243 62.300 -1.050 0.000 1.112 380 V CB -0.231 31.050 31.823 -0.903 0.000 0.738 380 V HN 0.875 nan 8.190 nan 0.000 0.469 381 E N 0.516 120.583 120.200 -0.223 0.000 2.153 381 E HA 0.061 4.402 4.350 -0.015 0.000 0.194 381 E C 1.187 177.736 176.600 -0.086 0.000 0.988 381 E CA 1.172 57.498 56.400 -0.124 0.000 0.811 381 E CB -0.221 29.442 29.700 -0.061 0.000 0.746 381 E HN 0.708 nan 8.360 nan 0.000 0.466 382 G N -0.886 107.873 108.800 -0.068 0.000 3.107 382 G HA2 0.267 4.218 3.960 -0.015 0.000 0.232 382 G HA3 0.267 4.218 3.960 -0.015 0.000 0.232 382 G C 0.105 174.997 174.900 -0.013 0.000 1.339 382 G CA -0.470 44.617 45.100 -0.021 0.000 1.033 382 G HN -0.083 nan 8.290 nan 0.000 0.567 383 K N -0.359 120.043 120.400 0.003 0.000 2.348 383 K HA 0.128 4.439 4.320 -0.015 0.000 0.194 383 K C 0.104 176.648 176.600 -0.093 0.000 1.052 383 K CA -0.124 56.156 56.287 -0.012 0.000 1.004 383 K CB 0.220 32.739 32.500 0.031 0.000 0.873 383 K HN 0.241 nan 8.250 nan 0.000 0.523 384 N N 2.099 120.736 118.700 -0.104 0.000 2.442 384 N HA 0.123 4.854 4.740 -0.015 0.000 0.265 384 N C -0.534 174.743 175.510 -0.388 0.000 1.138 384 N CA 0.419 53.322 53.050 -0.245 0.000 0.956 384 N CB 0.994 39.339 38.487 -0.237 0.000 1.067 384 N HN 0.061 nan 8.380 nan 0.000 0.474 385 I N 2.325 122.549 120.570 -0.576 0.000 2.336 385 I HA 0.127 4.288 4.170 -0.015 0.000 0.292 385 I C -0.055 175.565 176.117 -0.829 0.000 0.991 385 I CA -0.687 60.123 61.300 -0.817 0.000 1.227 385 I CB 0.687 37.909 38.000 -1.296 0.000 1.366 385 I HN 0.321 nan 8.210 nan 0.000 0.466 386 H N 6.158 124.970 119.070 -0.429 0.000 2.818 386 H HA 0.226 4.774 4.556 -0.014 0.000 0.269 386 H C 0.106 175.287 175.328 -0.246 0.000 1.277 386 H CA -0.218 55.698 56.048 -0.220 0.000 1.290 386 H CB 0.291 29.998 29.762 -0.091 0.000 1.479 386 H HN 0.514 nan 8.280 nan 0.000 0.507 387 F N 1.469 121.392 119.950 -0.044 0.000 2.661 387 F HA 0.083 4.600 4.527 -0.017 0.000 0.298 387 F C 1.897 177.688 175.800 -0.015 0.000 1.137 387 F CA 0.778 58.742 58.000 -0.060 0.000 1.454 387 F CB -0.058 38.879 39.000 -0.106 0.000 1.103 387 F HN 0.789 nan 8.300 nan 0.000 0.577 388 G N 0.900 109.792 108.800 0.152 0.000 2.698 388 G HA2 -0.295 3.656 3.960 -0.015 0.000 0.233 388 G HA3 -0.295 3.656 3.960 -0.015 0.000 0.233 388 G C -0.390 174.540 174.900 0.049 0.000 1.352 388 G CA -0.513 44.635 45.100 0.081 0.000 0.879 388 G HN 0.070 nan 8.290 nan 0.000 0.567 389 I N 1.532 122.099 120.570 -0.005 0.000 2.280 389 I HA 0.350 4.511 4.170 -0.015 0.000 0.287 389 I C 1.250 177.338 176.117 -0.048 0.000 1.121 389 I CA 0.572 61.830 61.300 -0.069 0.000 1.798 389 I CB -0.208 37.724 38.000 -0.113 0.000 1.489 389 I HN 0.387 nan 8.210 nan 0.000 0.805 390 R N 2.426 122.922 120.500 -0.006 0.000 2.638 390 R HA 0.214 4.545 4.340 -0.015 0.000 0.261 390 R C 0.559 176.884 176.300 0.041 0.000 1.515 390 R CA -0.238 55.887 56.100 0.042 0.000 1.623 390 R CB 0.494 30.842 30.300 0.081 0.000 1.347 390 R HN 0.188 nan 8.270 nan 0.000 0.705 391 E N 0.281 120.499 120.200 0.030 0.000 2.058 391 E HA -0.210 4.131 4.350 -0.015 0.000 0.194 391 E C 1.494 178.191 176.600 0.162 0.000 0.997 391 E CA 1.473 57.909 56.400 0.060 0.000 0.801 391 E CB -0.041 29.710 29.700 0.085 0.000 0.746 391 E HN 0.497 nan 8.360 nan 0.000 0.450 392 H N -0.097 119.035 119.070 0.103 0.000 2.270 392 H HA 0.020 4.566 4.556 -0.016 0.000 0.299 392 H C 0.993 176.359 175.328 0.063 0.000 1.077 392 H CA 0.473 56.586 56.048 0.108 0.000 1.294 392 H CB 0.014 29.845 29.762 0.114 0.000 1.371 392 H HN 0.220 nan 8.280 nan 0.000 0.491 396 A N 0.591 123.481 122.820 0.117 0.000 1.930 396 A HA 0.078 4.389 4.320 -0.015 0.000 0.217 396 A C 1.929 179.498 177.584 -0.025 0.000 1.175 396 A CA 1.670 53.740 52.037 0.056 0.000 0.627 396 A CB -0.695 18.299 19.000 -0.010 0.000 0.815 396 A HN 0.589 nan 8.150 nan 0.000 0.443 397 I N 0.077 120.621 120.570 -0.044 0.000 2.208 397 I HA -0.269 3.892 4.170 -0.015 0.000 0.245 397 I C 2.020 178.138 176.117 0.002 0.000 1.097 397 I CA 1.285 62.570 61.300 -0.025 0.000 1.363 397 I CB -0.338 37.704 38.000 0.070 0.000 1.051 397 I HN 0.285 nan 8.210 nan 0.000 0.413 398 N N 0.723 119.326 118.700 -0.161 0.000 2.331 398 N HA -0.108 4.623 4.740 -0.015 0.000 0.180 398 N C 1.502 176.767 175.510 -0.408 0.000 1.019 398 N CA 0.744 53.562 53.050 -0.387 0.000 0.881 398 N CB -0.466 37.529 38.487 -0.821 0.000 0.972 398 N HN 0.303 nan 8.380 nan 0.000 0.435 399 N N 1.149 119.754 118.700 -0.159 0.000 2.149 399 N HA -0.106 4.625 4.740 -0.015 0.000 0.188 399 N C 1.543 177.011 175.510 -0.070 0.000 1.019 399 N CA 1.226 54.291 53.050 0.025 0.000 0.857 399 N CB -0.304 38.269 38.487 0.143 0.000 0.997 399 N HN 0.248 nan 8.380 nan 0.000 0.426 400 A N -0.039 122.639 122.820 -0.237 0.000 1.898 400 A HA 0.019 4.330 4.320 -0.015 0.000 0.214 400 A C 1.992 179.456 177.584 -0.200 0.000 1.183 400 A CA 0.573 52.248 52.037 -0.604 0.000 0.622 400 A CB -0.809 17.471 19.000 -1.201 0.000 0.824 400 A HN 0.149 nan 8.150 nan 0.000 0.444 401 F N 0.557 120.397 119.950 -0.182 0.000 2.120 401 F HA -0.241 4.278 4.527 -0.013 0.000 0.300 401 F C 2.740 178.646 175.800 0.178 0.000 1.095 401 F CA 1.412 59.410 58.000 -0.003 0.000 1.249 401 F CB -0.394 38.476 39.000 -0.217 0.000 0.995 401 F HN 0.266 nan 8.300 nan 0.000 0.480 402 A N -0.776 122.170 122.820 0.210 0.000 2.066 402 A HA -0.096 4.215 4.320 -0.015 0.000 0.218 402 A C 2.177 179.907 177.584 0.243 0.000 1.157 402 A CA 1.008 53.162 52.037 0.195 0.000 0.670 402 A CB -0.303 18.745 19.000 0.080 0.000 0.804 402 A HN 0.156 nan 8.150 nan 0.000 0.453 403 R N -2.251 118.409 120.500 0.267 0.000 2.280 403 R HA 0.074 4.405 4.340 -0.015 0.000 0.195 403 R C 1.546 178.084 176.300 0.396 0.000 0.935 403 R CA 0.415 56.711 56.100 0.326 0.000 1.033 403 R CB -0.613 29.921 30.300 0.390 0.000 0.964 403 R HN 0.729 nan 8.270 nan 0.000 0.489 404 Y N 0.534 121.048 120.300 0.356 0.000 2.181 404 Y HA -0.174 4.367 4.550 -0.014 0.000 0.288 404 Y C 1.602 177.576 175.900 0.122 0.000 1.146 404 Y CA 2.244 60.527 58.100 0.305 0.000 1.164 404 Y CB 0.180 38.854 38.460 0.356 0.000 0.982 404 Y HN 0.256 nan 8.280 nan 0.000 0.515 405 G N -0.707 108.207 108.800 0.189 0.000 2.672 405 G HA2 -0.185 3.766 3.960 -0.015 0.000 0.197 405 G HA3 -0.185 3.766 3.960 -0.015 0.000 0.197 405 G C 0.648 175.573 174.900 0.042 0.000 0.995 405 G CA 0.131 45.261 45.100 0.050 0.000 0.754 405 G HN 0.629 nan 8.290 nan 0.000 0.505 406 I N -2.878 117.674 120.570 -0.029 0.000 4.390 406 I HA 0.630 4.791 4.170 -0.015 0.000 0.334 406 I C -0.445 175.496 176.117 -0.293 0.000 1.379 406 I CA -0.638 60.533 61.300 -0.214 0.000 1.197 406 I CB 0.250 38.028 38.000 -0.370 0.000 1.396 406 I HN -0.110 nan 8.210 nan 0.000 0.511 407 F N 1.959 122.072 119.950 0.273 0.000 2.538 407 F HA 0.681 5.196 4.527 -0.020 0.000 0.325 407 F C -0.297 175.656 175.800 0.255 0.000 1.066 407 F CA -1.112 57.046 58.000 0.264 0.000 0.946 407 F CB 1.979 41.169 39.000 0.315 0.000 1.199 407 F HN -0.182 nan 8.300 nan 0.000 0.473 408 L N 4.836 126.347 121.223 0.480 0.000 2.433 408 L HA 0.392 4.723 4.340 -0.015 0.000 0.256 408 L C -2.613 174.355 176.870 0.164 0.000 1.063 408 L CA -1.660 53.442 54.840 0.438 0.000 0.922 408 L CB 1.261 43.749 42.059 0.715 0.000 1.238 408 L HN 0.284 nan 8.230 nan 0.000 0.466 409 P HA 0.363 nan 4.420 nan 0.000 0.290 409 P C -1.186 176.035 177.300 -0.131 0.000 1.275 409 P CA -0.464 62.464 63.100 -0.286 0.000 0.841 409 P CB 1.560 32.995 31.700 -0.441 0.000 1.042 410 F N -0.756 119.037 119.950 -0.262 0.000 2.532 410 F HA 0.720 5.235 4.527 -0.019 0.000 0.321 410 F C -0.824 174.880 175.800 -0.161 0.000 1.089 410 F CA -1.053 56.892 58.000 -0.092 0.000 0.926 410 F CB 1.397 40.434 39.000 0.061 0.000 1.168 410 F HN 0.076 nan 8.300 nan 0.000 0.459 411 S N 2.320 118.021 115.700 0.002 0.000 2.454 411 S HA 0.878 5.339 4.470 -0.015 0.000 0.306 411 S C -0.626 174.052 174.600 0.130 0.000 1.100 411 S CA -0.575 57.577 58.200 -0.080 0.000 1.087 411 S CB 1.369 64.474 63.200 -0.158 0.000 1.019 411 S HN 1.051 nan 8.310 nan 0.000 0.480 412 A N 2.262 125.184 122.820 0.169 0.000 2.393 412 A HA 0.920 5.231 4.320 -0.015 0.000 0.306 412 A C -0.195 177.511 177.584 0.204 0.000 1.050 412 A CA -0.668 51.510 52.037 0.235 0.000 0.724 412 A CB 1.979 21.146 19.000 0.278 0.000 1.248 412 A HN 0.683 nan 8.150 nan 0.000 0.424 413 T N 0.270 115.004 114.554 0.300 0.000 2.661 413 T HA 0.573 4.914 4.350 -0.015 0.000 0.305 413 T C -1.437 173.464 174.700 0.335 0.000 1.441 413 T CA -0.452 61.768 62.100 0.200 0.000 0.999 413 T CB 0.167 69.156 68.868 0.201 0.000 1.650 413 T HN 0.439 nan 8.240 nan 0.000 0.489 414 F N 2.394 122.464 119.950 0.201 0.000 2.518 414 F HA 0.343 4.860 4.527 -0.017 0.000 0.359 414 F C 1.323 177.174 175.800 0.085 0.000 1.118 414 F CA -1.149 56.899 58.000 0.080 0.000 1.287 414 F CB -0.077 38.832 39.000 -0.152 0.000 1.132 414 F HN 0.575 nan 8.300 nan 0.000 0.587 415 F N 2.409 122.429 119.950 0.117 0.000 2.202 415 F HA -0.204 4.315 4.527 -0.013 0.000 0.301 415 F C 2.016 177.641 175.800 -0.291 0.000 1.082 415 F CA 1.066 58.962 58.000 -0.173 0.000 1.313 415 F CB -0.571 38.397 39.000 -0.053 0.000 1.024 415 F HN 0.367 nan 8.300 nan 0.000 0.495 416 I N -0.306 120.100 120.570 -0.273 0.000 2.286 416 I HA -0.261 3.900 4.170 -0.015 0.000 0.248 416 I C 1.491 177.378 176.117 -0.383 0.000 1.115 416 I CA 1.600 62.600 61.300 -0.500 0.000 1.392 416 I CB -0.868 36.718 38.000 -0.690 0.000 1.065 416 I HN -0.027 nan 8.210 nan 0.000 0.418 417 F N 0.501 120.433 119.950 -0.030 0.000 2.731 417 F HA 0.149 4.666 4.527 -0.017 0.000 0.304 417 F C 2.504 178.297 175.800 -0.011 0.000 1.133 417 F CA 0.437 58.418 58.000 -0.031 0.000 1.380 417 F CB -1.688 37.203 39.000 -0.182 0.000 1.079 417 F HN 0.145 nan 8.300 nan 0.000 0.550 418 S N -0.415 115.244 115.700 -0.069 0.000 2.419 418 S HA -0.203 4.258 4.470 -0.015 0.000 0.233 418 S C 1.663 176.292 174.600 0.049 0.000 1.016 418 S CA 1.148 59.242 58.200 -0.177 0.000 0.974 418 S CB -0.468 62.277 63.200 -0.758 0.000 0.786 418 S HN 0.524 nan 8.310 nan 0.000 0.492 419 E N 0.102 120.327 120.200 0.042 0.000 2.204 419 E HA -0.121 4.220 4.350 -0.015 0.000 0.195 419 E C 1.449 178.058 176.600 0.014 0.000 0.990 419 E CA 1.110 57.509 56.400 -0.003 0.000 0.821 419 E CB -0.324 29.359 29.700 -0.029 0.000 0.750 419 E HN 0.683 nan 8.360 nan 0.000 0.477 420 Y N 0.331 120.609 120.300 -0.037 0.000 2.439 420 Y HA -0.104 4.438 4.550 -0.014 0.000 0.292 420 Y C 1.951 177.720 175.900 -0.218 0.000 1.130 420 Y CA 0.786 58.831 58.100 -0.091 0.000 1.254 420 Y CB 0.108 38.557 38.460 -0.019 0.000 1.000 420 Y HN 0.107 nan 8.280 nan 0.000 0.554 421 L N -2.845 118.409 121.223 0.053 0.000 2.766 421 L HA 0.394 4.725 4.340 -0.015 0.000 0.242 421 L C 1.580 178.471 176.870 0.035 0.000 1.136 421 L CA 0.228 55.109 54.840 0.069 0.000 0.933 421 L CB -0.636 41.605 42.059 0.304 0.000 1.241 421 L HN -0.282 nan 8.230 nan 0.000 0.522 422 K N 1.844 122.214 120.400 -0.050 0.000 2.089 422 K HA -0.103 4.208 4.320 -0.015 0.000 0.210 422 K C -0.619 175.904 176.600 -0.127 0.000 1.048 422 K CA 2.326 58.533 56.287 -0.133 0.000 0.926 422 K CB -1.561 30.786 32.500 -0.255 0.000 0.714 422 K HN 0.315 nan 8.250 nan 0.000 0.448 423 P HA -0.077 nan 4.420 nan 0.000 0.217 423 P C 0.883 178.256 177.300 0.121 0.000 1.150 423 P CA 1.880 64.986 63.100 0.011 0.000 0.832 423 P CB -0.149 31.597 31.700 0.078 0.000 0.787 424 A N 0.140 123.109 122.820 0.247 0.000 1.930 424 A HA -0.042 4.269 4.320 -0.015 0.000 0.217 424 A C 2.332 180.059 177.584 0.239 0.000 1.175 424 A CA 1.829 54.027 52.037 0.268 0.000 0.627 424 A CB -1.580 17.634 19.000 0.357 0.000 0.815 424 A HN 0.178 nan 8.150 nan 0.000 0.443 425 A N -0.212 122.699 122.820 0.151 0.000 1.940 425 A HA -0.217 4.094 4.320 -0.015 0.000 0.219 425 A C 2.238 179.828 177.584 0.010 0.000 1.176 425 A CA 1.832 53.853 52.037 -0.028 0.000 0.631 425 A CB -0.500 18.315 19.000 -0.308 0.000 0.814 425 A HN 0.550 nan 8.150 nan 0.000 0.446 426 R N -0.581 119.897 120.500 -0.036 0.000 2.096 426 R HA -0.065 4.266 4.340 -0.015 0.000 0.235 426 R C 1.810 178.152 176.300 0.069 0.000 1.127 426 R CA 1.425 57.507 56.100 -0.030 0.000 0.968 426 R CB -0.224 30.031 30.300 -0.075 0.000 0.861 426 R HN 0.473 nan 8.270 nan 0.000 0.440 427 I N 0.718 121.353 120.570 0.108 0.000 2.394 427 I HA -0.161 4.000 4.170 -0.015 0.000 0.251 427 I C 2.375 178.599 176.117 0.178 0.000 1.136 427 I CA 1.151 62.530 61.300 0.132 0.000 1.425 427 I CB -1.161 36.921 38.000 0.137 0.000 1.079 427 I HN 0.245 nan 8.210 nan 0.000 0.425 428 A N 0.976 123.940 122.820 0.241 0.000 1.933 428 A HA -0.125 4.186 4.320 -0.015 0.000 0.218 428 A C 2.578 180.304 177.584 0.237 0.000 1.175 428 A CA 1.908 54.118 52.037 0.290 0.000 0.628 428 A CB -0.583 18.674 19.000 0.429 0.000 0.814 428 A HN 0.409 nan 8.150 nan 0.000 0.444 429 A N -0.302 122.667 122.820 0.248 0.000 1.854 429 A HA 0.230 4.541 4.320 -0.015 0.000 0.214 429 A C 1.363 179.038 177.584 0.151 0.000 1.192 429 A CA 0.595 52.771 52.037 0.232 0.000 0.611 429 A CB -0.643 18.515 19.000 0.263 0.000 0.832 429 A HN 0.452 nan 8.150 nan 0.000 0.442 433 I N -1.957 118.687 120.570 0.123 0.000 2.677 433 I HA 0.409 4.570 4.170 -0.015 0.000 0.305 433 I C 0.034 176.188 176.117 0.061 0.000 0.988 433 I CA -0.844 60.528 61.300 0.118 0.000 1.260 433 I CB 0.691 38.782 38.000 0.152 0.000 1.410 433 I HN -0.229 nan 8.210 nan 0.000 0.523 434 K N 3.988 124.406 120.400 0.029 0.000 2.150 434 K HA 0.259 4.570 4.320 -0.015 0.000 0.261 434 K C -0.988 175.400 176.600 -0.352 0.000 1.127 434 K CA 0.267 56.466 56.287 -0.147 0.000 0.989 434 K CB -0.628 31.905 32.500 0.054 0.000 1.475 434 K HN 0.770 nan 8.250 nan 0.000 0.391 435 H N 1.786 120.496 119.070 -0.601 0.000 2.689 435 H HA 0.385 4.932 4.556 -0.016 0.000 0.346 435 H C -1.224 173.705 175.328 -0.664 0.000 1.037 435 H CA -0.893 54.813 56.048 -0.570 0.000 1.234 435 H CB 0.805 30.440 29.762 -0.212 0.000 1.572 435 H HN 0.144 nan 8.280 nan 0.000 0.524 436 F N 4.872 124.945 119.950 0.204 0.000 2.436 436 F HA 0.335 4.856 4.527 -0.010 0.000 0.340 436 F C -0.834 174.916 175.800 -0.084 0.000 1.113 436 F CA -0.706 57.392 58.000 0.163 0.000 1.022 436 F CB 0.793 40.038 39.000 0.408 0.000 1.128 436 F HN 0.380 nan 8.300 nan 0.000 0.466 437 F N 4.314 124.311 119.950 0.078 0.000 2.388 437 F HA 0.484 5.004 4.527 -0.012 0.000 0.358 437 F C -0.258 175.292 175.800 -0.417 0.000 1.122 437 F CA -0.828 56.999 58.000 -0.288 0.000 1.056 437 F CB 1.054 39.721 39.000 -0.554 0.000 1.155 437 F HN 0.123 nan 8.300 nan 0.000 0.461 438 I N 5.086 125.561 120.570 -0.159 0.000 2.328 438 I HA 0.254 4.415 4.170 -0.015 0.000 0.287 438 I C -0.957 175.181 176.117 0.035 0.000 1.012 438 I CA -0.824 60.456 61.300 -0.033 0.000 1.195 438 I CB 0.351 38.409 38.000 0.096 0.000 1.350 438 I HN 0.311 nan 8.210 nan 0.000 0.464 439 F N 4.343 124.389 119.950 0.160 0.000 2.430 439 F HA 0.350 4.870 4.527 -0.012 0.000 0.362 439 F C 1.015 176.882 175.800 0.112 0.000 1.103 439 F CA -1.092 56.984 58.000 0.126 0.000 1.045 439 F CB 1.356 40.325 39.000 -0.050 0.000 1.276 439 F HN 0.416 nan 8.300 nan 0.000 0.444 440 T N -1.480 113.341 114.554 0.445 0.000 2.810 440 T HA 0.404 4.745 4.350 -0.015 0.000 0.277 440 T C -0.267 174.722 174.700 0.481 0.000 0.973 440 T CA -0.266 62.099 62.100 0.440 0.000 0.949 440 T CB 0.477 69.678 68.868 0.556 0.000 1.075 440 T HN 0.640 nan 8.240 nan 0.000 0.537 441 H N 0.090 119.213 119.070 0.088 0.000 2.819 441 H HA -0.081 4.465 4.556 -0.017 0.000 0.323 441 H C 0.586 175.922 175.328 0.013 0.000 1.243 441 H CA 0.835 56.848 56.048 -0.060 0.000 1.163 441 H CB -1.848 27.679 29.762 -0.392 0.000 1.493 441 H HN 0.823 nan 8.280 nan 0.000 0.434 442 D N -1.024 119.449 120.400 0.122 0.000 2.363 442 D HA 0.021 4.652 4.640 -0.015 0.000 0.220 442 D C 0.931 177.331 176.300 0.166 0.000 0.994 442 D CA 0.926 55.046 54.000 0.200 0.000 0.890 442 D CB 0.378 41.226 40.800 0.080 0.000 0.906 442 D HN 0.500 nan 8.370 nan 0.000 0.530 443 S N -0.748 114.968 115.700 0.027 0.000 2.727 443 S HA 0.287 4.748 4.470 -0.015 0.000 0.278 443 S C 1.194 175.679 174.600 -0.192 0.000 1.186 443 S CA -0.417 57.744 58.200 -0.066 0.000 0.836 443 S CB 0.107 63.275 63.200 -0.052 0.000 1.186 443 S HN 0.039 nan 8.310 nan 0.000 0.499 444 I N -0.578 119.796 120.570 -0.328 0.000 2.479 444 I HA 0.070 4.231 4.170 -0.015 0.000 0.258 444 I C 1.979 177.745 176.117 -0.584 0.000 1.165 444 I CA 1.771 62.795 61.300 -0.460 0.000 1.422 444 I CB -1.217 36.420 38.000 -0.606 0.000 1.087 444 I HN 0.743 nan 8.210 nan 0.000 0.441 445 G N 1.314 109.738 108.800 -0.627 0.000 2.479 445 G HA2 -0.160 3.791 3.960 -0.015 0.000 0.220 445 G HA3 -0.160 3.791 3.960 -0.015 0.000 0.220 445 G C 1.582 176.369 174.900 -0.188 0.000 1.115 445 G CA 0.948 45.819 45.100 -0.382 0.000 0.757 445 G HN 0.386 nan 8.290 nan 0.000 0.560 446 V N 0.893 120.691 119.914 -0.193 0.000 2.324 446 V HA 0.026 4.137 4.120 -0.015 0.000 0.250 446 V C 2.484 178.506 176.094 -0.120 0.000 1.060 446 V CA 2.227 64.436 62.300 -0.152 0.000 1.042 446 V CB -1.142 30.610 31.823 -0.118 0.000 0.650 446 V HN 0.957 nan 8.190 nan 0.000 0.450 447 G N -0.603 108.113 108.800 -0.140 0.000 2.650 447 G HA2 -0.362 3.589 3.960 -0.015 0.000 0.264 447 G HA3 -0.362 3.589 3.960 -0.015 0.000 0.264 447 G C 0.598 175.457 174.900 -0.067 0.000 1.263 447 G CA 0.425 45.467 45.100 -0.096 0.000 0.960 447 G HN 0.360 nan 8.290 nan 0.000 0.548 448 E N 1.049 121.219 120.200 -0.050 0.000 2.204 448 E HA 0.068 4.409 4.350 -0.015 0.000 0.194 448 E C 1.928 178.487 176.600 -0.070 0.000 0.989 448 E CA 1.231 57.605 56.400 -0.044 0.000 0.824 448 E CB -0.162 29.519 29.700 -0.030 0.000 0.756 448 E HN 0.456 nan 8.360 nan 0.000 0.477 449 D N -0.147 120.191 120.400 -0.104 0.000 2.263 449 D HA -0.006 4.625 4.640 -0.015 0.000 0.208 449 D C 1.015 177.221 176.300 -0.156 0.000 0.971 449 D CA 1.298 55.175 54.000 -0.205 0.000 0.867 449 D CB -0.190 40.412 40.800 -0.331 0.000 0.929 449 D HN 0.240 nan 8.370 nan 0.000 0.492 450 G N -0.056 108.702 108.800 -0.071 0.000 2.698 450 G HA2 -0.201 3.749 3.960 -0.015 0.000 0.225 450 G HA3 -0.201 3.749 3.960 -0.015 0.000 0.225 450 G C -1.975 172.926 174.900 0.001 0.000 1.345 450 G CA -0.181 44.901 45.100 -0.030 0.000 0.871 450 G HN -0.042 nan 8.290 nan 0.000 0.540 451 P HA -0.059 nan 4.420 nan 0.000 0.221 451 P C 1.977 179.258 177.300 -0.031 0.000 1.150 451 P CA 2.759 65.854 63.100 -0.009 0.000 0.800 451 P CB -0.365 31.323 31.700 -0.020 0.000 0.787 452 T N -4.863 109.702 114.554 0.017 0.000 3.072 452 T HA -0.100 4.241 4.350 -0.015 0.000 0.266 452 T C 1.435 176.175 174.700 0.067 0.000 1.127 452 T CA 0.994 63.124 62.100 0.050 0.000 1.107 452 T CB -1.088 67.879 68.868 0.164 0.000 0.910 452 T HN 0.316 nan 8.240 nan 0.000 0.513 453 H N 0.406 119.420 119.070 -0.094 0.000 2.542 453 H HA 0.314 4.860 4.556 -0.016 0.000 0.283 453 H C -0.014 175.192 175.328 -0.204 0.000 1.059 453 H CA -0.315 55.625 56.048 -0.179 0.000 1.162 453 H CB 0.597 30.291 29.762 -0.115 0.000 1.539 453 H HN 0.478 nan 8.280 nan 0.000 0.543 454 Q N 1.905 121.665 119.800 -0.067 0.000 2.381 454 Q HA 0.263 4.594 4.340 -0.015 0.000 0.263 454 Q C -2.656 173.280 176.000 -0.106 0.000 1.030 454 Q CA -2.119 53.624 55.803 -0.100 0.000 0.772 454 Q CB 2.156 30.827 28.738 -0.112 0.000 1.232 454 Q HN 0.125 nan 8.270 nan 0.000 0.476 455 P HA -0.028 nan 4.420 nan 0.000 0.266 455 P C -0.216 177.012 177.300 -0.120 0.000 1.195 455 P CA 0.265 63.262 63.100 -0.172 0.000 0.768 455 P CB 0.825 32.430 31.700 -0.158 0.000 0.838 456 I N 1.666 122.165 120.570 -0.119 0.000 3.990 456 I HA 0.012 4.173 4.170 -0.015 0.000 0.275 456 I C 1.728 177.800 176.117 -0.076 0.000 1.157 456 I CA 0.747 61.990 61.300 -0.096 0.000 1.338 456 I CB -0.754 37.169 38.000 -0.129 0.000 1.588 456 I HN 0.373 nan 8.210 nan 0.000 0.441 457 E N 1.174 121.310 120.200 -0.107 0.000 2.476 457 E HA -0.037 4.304 4.350 -0.015 0.000 0.199 457 E C 1.392 177.897 176.600 -0.159 0.000 1.021 457 E CA 0.406 56.742 56.400 -0.108 0.000 0.907 457 E CB 0.155 29.800 29.700 -0.091 0.000 0.974 457 E HN 0.312 nan 8.360 nan 0.000 0.489 458 Q N 1.197 120.831 119.800 -0.277 0.000 2.124 458 Q HA 0.042 4.373 4.340 -0.015 0.000 0.202 458 Q C 2.309 178.304 176.000 -0.008 0.000 0.977 458 Q CA 1.119 56.695 55.803 -0.377 0.000 0.850 458 Q CB -0.330 27.730 28.738 -1.130 0.000 0.901 458 Q HN 0.272 nan 8.270 nan 0.000 0.429 459 L N -0.190 121.113 121.223 0.133 0.000 2.042 459 L HA -0.250 4.081 4.340 -0.015 0.000 0.210 459 L C 2.149 179.064 176.870 0.076 0.000 1.076 459 L CA 1.319 56.321 54.840 0.270 0.000 0.749 459 L CB -0.396 41.783 42.059 0.200 0.000 0.893 459 L HN 0.241 nan 8.230 nan 0.000 0.432 460 S N -0.921 114.751 115.700 -0.046 0.000 2.370 460 S HA -0.200 4.261 4.470 -0.015 0.000 0.226 460 S C 1.890 176.399 174.600 -0.152 0.000 1.033 460 S CA 1.898 60.013 58.200 -0.141 0.000 1.011 460 S CB -0.357 62.741 63.200 -0.171 0.000 0.852 460 S HN 0.479 nan 8.310 nan 0.000 0.457 461 T N 1.794 116.253 114.554 -0.159 0.000 2.622 461 T HA -0.054 4.287 4.350 -0.015 0.000 0.266 461 T C 1.470 175.955 174.700 -0.359 0.000 1.047 461 T CA 1.442 63.368 62.100 -0.290 0.000 1.159 461 T CB -0.565 68.065 68.868 -0.397 0.000 0.863 461 T HN 0.341 nan 8.240 nan 0.000 0.422 462 F N 1.357 121.213 119.950 -0.157 0.000 2.134 462 F HA -0.013 4.507 4.527 -0.012 0.000 0.299 462 F C 2.657 178.395 175.800 -0.103 0.000 1.097 462 F CA 1.019 58.913 58.000 -0.177 0.000 1.264 462 F CB -0.315 38.664 39.000 -0.036 0.000 1.001 462 F HN -0.027 nan 8.300 nan 0.000 0.479 463 R N 0.412 120.941 120.500 0.048 0.000 2.091 463 R HA -0.074 4.257 4.340 -0.015 0.000 0.238 463 R C 1.420 177.674 176.300 -0.078 0.000 1.136 463 R CA 0.807 56.876 56.100 -0.052 0.000 0.959 463 R CB -0.805 29.328 30.300 -0.279 0.000 0.856 463 R HN 0.237 nan 8.270 nan 0.000 0.437 467 N N -0.375 118.401 118.700 0.127 0.000 2.727 467 N HA -0.211 4.520 4.740 -0.015 0.000 0.249 467 N C -1.012 174.614 175.510 0.194 0.000 1.048 467 N CA 1.065 54.195 53.050 0.132 0.000 0.714 467 N CB -1.402 37.158 38.487 0.122 0.000 0.959 467 N HN 0.476 nan 8.380 nan 0.000 0.544 468 F N 0.144 120.104 119.950 0.017 0.000 2.787 468 F HA 0.407 4.925 4.527 -0.014 0.000 0.340 468 F C -0.699 175.081 175.800 -0.033 0.000 1.232 468 F CA -0.836 57.171 58.000 0.012 0.000 1.051 468 F CB 0.939 39.960 39.000 0.035 0.000 1.330 468 F HN -0.113 nan 8.300 nan 0.000 0.522 469 L N 5.038 126.148 121.223 -0.188 0.000 2.326 469 L HA 0.468 4.799 4.340 -0.015 0.000 0.278 469 L C -0.150 176.501 176.870 -0.365 0.000 1.092 469 L CA -0.255 54.395 54.840 -0.318 0.000 0.810 469 L CB 1.437 43.185 42.059 -0.519 0.000 1.153 469 L HN 0.555 nan 8.230 nan 0.000 0.439 470 T N 3.097 117.448 114.554 -0.338 0.000 2.893 470 T HA 0.448 4.789 4.350 -0.015 0.000 0.324 470 T C -0.464 173.995 174.700 -0.401 0.000 1.082 470 T CA -0.353 61.622 62.100 -0.207 0.000 0.983 470 T CB -0.003 68.905 68.868 0.066 0.000 1.005 470 T HN 0.073 nan 8.240 nan 0.000 0.475 471 F N 2.234 122.018 119.950 -0.276 0.000 2.404 471 F HA 0.522 5.043 4.527 -0.011 0.000 0.345 471 F C 1.064 176.769 175.800 -0.158 0.000 1.110 471 F CA -1.103 56.750 58.000 -0.245 0.000 1.130 471 F CB 1.034 39.783 39.000 -0.418 0.000 1.129 471 F HN 0.279 nan 8.300 nan 0.000 0.500 472 R N 5.180 125.738 120.500 0.097 0.000 2.547 472 R HA 0.338 4.669 4.340 -0.015 0.000 0.280 472 R C -2.937 173.410 176.300 0.079 0.000 1.630 472 R CA -1.866 54.267 56.100 0.054 0.000 1.470 472 R CB 0.715 31.029 30.300 0.023 0.000 1.178 472 R HN 0.261 nan 8.270 nan 0.000 0.591 473 P HA 0.082 nan 4.420 nan 0.000 0.275 473 P C -0.013 177.319 177.300 0.053 0.000 1.227 473 P CA 0.075 63.224 63.100 0.082 0.000 0.781 473 P CB 1.832 33.579 31.700 0.079 0.000 0.906 474 A N 2.875 125.727 122.820 0.053 0.000 2.072 474 A HA 0.031 4.342 4.320 -0.015 0.000 0.216 474 A C 0.751 178.368 177.584 0.055 0.000 1.156 474 A CA 1.245 53.309 52.037 0.046 0.000 0.701 474 A CB -0.473 18.544 19.000 0.029 0.000 0.816 474 A HN 0.707 nan 8.150 nan 0.000 0.458 475 D N -4.849 115.578 120.400 0.046 0.000 2.768 475 D HA 0.349 4.980 4.640 -0.015 0.000 0.327 475 D C 1.026 177.305 176.300 -0.034 0.000 1.302 475 D CA 0.167 54.179 54.000 0.020 0.000 0.897 475 D CB 0.319 41.166 40.800 0.078 0.000 1.420 475 D HN -0.061 nan 8.370 nan 0.000 0.494 476 G N -0.419 108.311 108.800 -0.116 0.000 2.422 476 G HA2 -0.123 3.828 3.960 -0.015 0.000 0.218 476 G HA3 -0.123 3.828 3.960 -0.015 0.000 0.218 476 G C 1.434 176.398 174.900 0.106 0.000 1.146 476 G CA 1.260 46.189 45.100 -0.284 0.000 0.769 476 G HN 0.287 nan 8.290 nan 0.000 0.547 477 V N 0.683 120.693 119.914 0.159 0.000 2.307 477 V HA -0.159 3.952 4.120 -0.015 0.000 0.245 477 V C 2.670 178.797 176.094 0.056 0.000 1.045 477 V CA 2.086 64.469 62.300 0.137 0.000 1.024 477 V CB -0.465 31.419 31.823 0.101 0.000 0.651 477 V HN 0.453 nan 8.190 nan 0.000 0.449 478 E N 0.169 120.402 120.200 0.054 0.000 2.110 478 E HA -0.257 4.084 4.350 -0.015 0.000 0.193 478 E C 2.136 178.742 176.600 0.009 0.000 0.988 478 E CA 1.305 57.728 56.400 0.038 0.000 0.804 478 E CB -0.280 29.472 29.700 0.086 0.000 0.745 478 E HN 0.522 nan 8.360 nan 0.000 0.458 479 N N 0.901 119.621 118.700 0.034 0.000 2.120 479 N HA -0.140 4.591 4.740 -0.015 0.000 0.188 479 N C 1.799 177.361 175.510 0.088 0.000 1.024 479 N CA 0.931 54.020 53.050 0.065 0.000 0.852 479 N CB -0.173 38.336 38.487 0.035 0.000 1.003 479 N HN -0.031 nan 8.380 nan 0.000 0.424 480 V N 1.084 121.033 119.914 0.058 0.000 2.261 480 V HA -0.208 3.903 4.120 -0.015 0.000 0.246 480 V C 2.230 178.168 176.094 -0.260 0.000 1.047 480 V CA 1.751 63.991 62.300 -0.100 0.000 1.015 480 V CB -0.437 31.337 31.823 -0.083 0.000 0.642 480 V HN 0.352 nan 8.190 nan 0.000 0.446 481 K N 0.239 120.522 120.400 -0.195 0.000 2.147 481 K HA -0.115 4.196 4.320 -0.015 0.000 0.205 481 K C 2.258 178.692 176.600 -0.277 0.000 1.049 481 K CA 1.365 57.518 56.287 -0.224 0.000 0.936 481 K CB -0.438 31.963 32.500 -0.166 0.000 0.722 481 K HN 0.489 nan 8.250 nan 0.000 0.446 482 A N 0.719 123.335 122.820 -0.340 0.000 1.877 482 A HA -0.180 4.131 4.320 -0.015 0.000 0.216 482 A C 1.840 179.059 177.584 -0.607 0.000 1.186 482 A CA 1.315 52.847 52.037 -0.842 0.000 0.620 482 A CB -0.969 17.532 19.000 -0.831 0.000 0.822 482 A HN 0.453 nan 8.150 nan 0.000 0.443 483 W N 0.109 121.259 121.300 -0.250 0.000 2.338 483 W HA -0.195 4.474 4.660 0.015 0.000 0.304 483 W C 2.746 179.111 176.519 -0.257 0.000 1.212 483 W CA 1.674 58.892 57.345 -0.211 0.000 1.264 483 W CB -0.247 29.048 29.460 -0.275 0.000 1.142 483 W HN 0.452 nan 8.180 nan 0.000 0.512 484 Q N -0.180 119.546 119.800 -0.122 0.000 2.096 484 Q HA -0.219 4.112 4.340 -0.015 0.000 0.204 484 Q C 1.997 177.962 176.000 -0.059 0.000 0.982 484 Q CA 1.926 57.661 55.803 -0.113 0.000 0.850 484 Q CB -0.553 28.056 28.738 -0.215 0.000 0.901 484 Q HN 0.401 nan 8.270 nan 0.000 0.422 485 I N 0.545 121.050 120.570 -0.109 0.000 2.202 485 I HA -0.262 3.899 4.170 -0.015 0.000 0.242 485 I C 2.467 178.607 176.117 0.039 0.000 1.091 485 I CA 0.986 62.271 61.300 -0.024 0.000 1.368 485 I CB -0.470 37.537 38.000 0.012 0.000 1.058 485 I HN 0.144 nan 8.210 nan 0.000 0.410 486 A N 1.044 123.858 122.820 -0.009 0.000 1.883 486 A HA -0.178 4.133 4.320 -0.015 0.000 0.217 486 A C 2.305 179.993 177.584 0.173 0.000 1.186 486 A CA 1.612 53.721 52.037 0.121 0.000 0.624 486 A CB -0.996 18.028 19.000 0.040 0.000 0.822 486 A HN 0.402 nan 8.150 nan 0.000 0.444 487 L N -0.844 120.380 121.223 0.002 0.000 2.141 487 L HA -0.168 4.163 4.340 -0.015 0.000 0.209 487 L C 1.960 178.737 176.870 -0.156 0.000 1.094 487 L CA 1.498 56.194 54.840 -0.241 0.000 0.763 487 L CB -0.485 41.149 42.059 -0.709 0.000 0.908 487 L HN 0.480 nan 8.230 nan 0.000 0.437 488 N N -0.487 118.221 118.700 0.013 0.000 2.422 488 N HA 0.119 4.850 4.740 -0.015 0.000 0.181 488 N C 0.691 176.284 175.510 0.138 0.000 1.080 488 N CA -0.007 53.119 53.050 0.126 0.000 0.893 488 N CB 0.281 38.841 38.487 0.122 0.000 0.973 488 N HN 0.234 nan 8.380 nan 0.000 0.456 489 A N 1.194 124.094 122.820 0.134 0.000 2.296 489 A HA 0.097 4.408 4.320 -0.015 0.000 0.264 489 A C 0.459 178.123 177.584 0.133 0.000 1.097 489 A CA -0.227 51.885 52.037 0.126 0.000 0.811 489 A CB 0.283 19.356 19.000 0.122 0.000 1.072 489 A HN 0.311 nan 8.150 nan 0.000 0.495 490 D N -1.006 119.459 120.400 0.107 0.000 2.368 490 D HA 0.186 4.817 4.640 -0.015 0.000 0.218 490 D C 0.167 176.519 176.300 0.087 0.000 1.112 490 D CA 0.198 54.261 54.000 0.104 0.000 0.834 490 D CB -0.518 40.338 40.800 0.093 0.000 0.953 490 D HN 0.544 nan 8.370 nan 0.000 0.505 491 I N -4.622 115.989 120.570 0.068 0.000 2.994 491 I HA 0.575 4.735 4.170 -0.015 0.000 0.306 491 I C -2.962 173.135 176.117 -0.033 0.000 1.195 491 I CA -2.811 58.508 61.300 0.030 0.000 1.001 491 I CB 2.435 40.451 38.000 0.026 0.000 1.244 491 I HN -0.408 nan 8.210 nan 0.000 0.437 492 P HA 0.204 nan 4.420 nan 0.000 0.271 492 P C -0.696 176.275 177.300 -0.548 0.000 1.233 492 P CA -0.048 62.887 63.100 -0.275 0.000 0.789 492 P CB 0.939 32.512 31.700 -0.212 0.000 0.951 493 S N -0.554 114.869 115.700 -0.461 0.000 2.569 493 S HA 0.712 5.173 4.470 -0.015 0.000 0.280 493 S C -0.760 173.588 174.600 -0.419 0.000 1.111 493 S CA -0.497 57.405 58.200 -0.498 0.000 0.887 493 S CB 1.861 64.957 63.200 -0.175 0.000 1.095 493 S HN 0.663 nan 8.310 nan 0.000 0.476 494 A N 1.507 124.088 122.820 -0.398 0.000 2.356 494 A HA 0.898 5.209 4.320 -0.015 0.000 0.323 494 A C -1.479 175.806 177.584 -0.499 0.000 1.119 494 A CA -0.557 51.336 52.037 -0.239 0.000 0.790 494 A CB 0.519 19.502 19.000 -0.029 0.000 1.273 494 A HN 0.636 nan 8.150 nan 0.000 0.452 495 F N 1.110 120.942 119.950 -0.197 0.000 2.449 495 F HA 0.494 5.019 4.527 -0.004 0.000 0.342 495 F C -0.096 175.614 175.800 -0.150 0.000 1.127 495 F CA -0.619 57.296 58.000 -0.141 0.000 0.975 495 F CB 2.233 41.123 39.000 -0.183 0.000 1.146 495 F HN 0.218 nan 8.300 nan 0.000 0.444 496 V N 5.789 125.681 119.914 -0.037 0.000 2.334 496 V HA 0.488 4.599 4.120 -0.015 0.000 0.281 496 V C -0.251 175.810 176.094 -0.055 0.000 1.016 496 V CA -0.558 61.615 62.300 -0.211 0.000 0.832 496 V CB 1.214 32.769 31.823 -0.447 0.000 0.999 496 V HN 0.571 nan 8.190 nan 0.000 0.439 497 L N 3.998 125.223 121.223 0.003 0.000 2.370 497 L HA 0.680 5.011 4.340 -0.015 0.000 0.266 497 L C 0.340 177.238 176.870 0.047 0.000 1.002 497 L CA -0.577 54.295 54.840 0.053 0.000 0.818 497 L CB 2.560 44.678 42.059 0.098 0.000 1.325 497 L HN 0.667 nan 8.230 nan 0.000 0.418 498 S N 0.537 116.247 115.700 0.017 0.000 2.610 498 S HA 0.347 4.808 4.470 -0.015 0.000 0.273 498 S C 0.712 175.258 174.600 -0.090 0.000 1.274 498 S CA -0.652 57.537 58.200 -0.020 0.000 1.023 498 S CB 1.937 65.132 63.200 -0.009 0.000 0.962 498 S HN 0.776 nan 8.310 nan 0.000 0.523 499 R N 0.998 121.359 120.500 -0.231 0.000 2.073 499 R HA -0.030 4.301 4.340 -0.015 0.000 0.229 499 R C 0.906 177.108 176.300 -0.164 0.000 1.120 499 R CA 0.832 56.697 56.100 -0.390 0.000 0.967 499 R CB -0.119 29.765 30.300 -0.692 0.000 0.862 499 R HN 0.896 nan 8.270 nan 0.000 0.436 500 Q N 1.609 121.356 119.800 -0.089 0.000 2.221 500 Q HA 0.115 4.446 4.340 -0.015 0.000 0.242 500 Q C -1.155 174.833 176.000 -0.020 0.000 0.940 500 Q CA -0.466 55.319 55.803 -0.029 0.000 0.896 500 Q CB 1.052 29.809 28.738 0.032 0.000 1.226 500 Q HN -0.037 nan 8.270 nan 0.000 0.463 501 K N 1.910 122.300 120.400 -0.017 0.000 2.412 501 K HA 0.247 4.558 4.320 -0.015 0.000 0.281 501 K C -0.598 175.985 176.600 -0.029 0.000 1.027 501 K CA -0.108 56.164 56.287 -0.025 0.000 0.989 501 K CB 0.319 32.803 32.500 -0.027 0.000 0.935 501 K HN 0.571 nan 8.250 nan 0.000 0.475 502 L N 3.331 124.539 121.223 -0.024 0.000 2.332 502 L HA 0.458 4.789 4.340 -0.015 0.000 0.269 502 L C -0.001 176.863 176.870 -0.010 0.000 1.016 502 L CA -1.094 53.742 54.840 -0.006 0.000 0.809 502 L CB 1.516 43.589 42.059 0.024 0.000 1.280 502 L HN 0.596 nan 8.230 nan 0.000 0.447 503 K N 1.089 121.496 120.400 0.011 0.000 2.172 503 K HA 0.564 4.874 4.320 -0.015 0.000 0.276 503 K C -0.360 176.356 176.600 0.193 0.000 1.013 503 K CA -0.522 55.731 56.287 -0.056 0.000 0.913 503 K CB 1.580 33.758 32.500 -0.537 0.000 1.055 503 K HN 0.708 nan 8.250 nan 0.000 0.461 504 A N 4.621 127.529 122.820 0.147 0.000 2.498 504 A HA 0.186 4.497 4.320 -0.015 0.000 0.239 504 A C -0.090 177.727 177.584 0.388 0.000 1.068 504 A CA -0.109 52.055 52.037 0.212 0.000 0.766 504 A CB -0.001 19.084 19.000 0.141 0.000 1.003 504 A HN 0.739 nan 8.150 nan 0.000 0.497 505 L N 2.367 123.755 121.223 0.275 0.000 2.416 505 L HA 0.282 4.613 4.340 -0.015 0.000 0.262 505 L C 0.952 177.917 176.870 0.160 0.000 1.093 505 L CA -1.052 53.910 54.840 0.203 0.000 0.801 505 L CB 0.528 42.634 42.059 0.078 0.000 1.191 505 L HN 0.923 nan 8.230 nan 0.000 0.459 506 N N 0.401 119.162 118.700 0.101 0.000 2.354 506 N HA 0.074 4.805 4.740 -0.015 0.000 0.246 506 N C -0.474 175.080 175.510 0.074 0.000 1.285 506 N CA -0.529 52.571 53.050 0.083 0.000 0.925 506 N CB 0.579 39.096 38.487 0.049 0.000 1.174 506 N HN 0.539 nan 8.380 nan 0.000 0.478 507 E N -0.107 120.132 120.200 0.064 0.000 2.404 507 E HA 0.161 4.502 4.350 -0.015 0.000 0.261 507 E C -2.042 174.607 176.600 0.081 0.000 1.074 507 E CA -1.317 55.117 56.400 0.055 0.000 0.917 507 E CB 0.087 29.806 29.700 0.032 0.000 0.965 507 E HN 0.440 nan 8.360 nan 0.000 0.433 508 P HA -0.110 nan 4.420 nan 0.000 0.264 508 P C 0.227 177.592 177.300 0.109 0.000 1.183 508 P CA 0.260 63.436 63.100 0.125 0.000 0.763 508 P CB 0.567 32.189 31.700 -0.130 0.000 0.807 509 V N 2.488 122.497 119.914 0.158 0.000 2.685 509 V HA 0.103 4.214 4.120 -0.015 0.000 0.244 509 V C 0.542 176.780 176.094 0.241 0.000 1.054 509 V CA 1.168 63.558 62.300 0.150 0.000 1.076 509 V CB -0.551 31.346 31.823 0.123 0.000 0.725 509 V HN 0.494 nan 8.190 nan 0.000 0.467 510 F N -0.360 119.640 119.950 0.083 0.000 2.604 510 F HA 0.649 5.168 4.527 -0.014 0.000 0.316 510 F C 0.018 175.914 175.800 0.160 0.000 1.136 510 F CA -0.045 58.005 58.000 0.084 0.000 0.989 510 F CB 1.070 40.092 39.000 0.037 0.000 1.258 510 F HN 0.295 nan 8.300 nan 0.000 0.451 511 G N 3.924 112.384 108.800 -0.567 0.000 2.796 511 G HA2 0.205 4.156 3.960 -0.015 0.000 0.571 511 G HA3 0.205 4.156 3.960 -0.015 0.000 0.571 511 G C -1.619 173.149 174.900 -0.220 0.000 1.370 511 G CA -0.114 44.798 45.100 -0.312 0.000 0.856 511 G HN 1.002 nan 8.290 nan 0.000 0.538 512 D N -2.853 117.405 120.400 -0.238 0.000 2.921 512 D HA 0.495 5.126 4.640 -0.015 0.000 0.329 512 D C 1.768 177.884 176.300 -0.307 0.000 1.293 512 D CA 0.164 53.841 54.000 -0.538 0.000 0.964 512 D CB 1.132 41.699 40.800 -0.387 0.000 1.435 512 D HN 0.594 nan 8.370 nan 0.000 0.548 513 V N 1.322 121.043 119.914 -0.322 0.000 2.407 513 V HA -0.227 3.884 4.120 -0.015 0.000 0.248 513 V C 2.229 178.328 176.094 0.009 0.000 1.055 513 V CA 2.433 64.712 62.300 -0.035 0.000 1.049 513 V CB -0.725 31.066 31.823 -0.053 0.000 0.662 513 V HN 0.570 nan 8.190 nan 0.000 0.455 514 K N 0.772 121.136 120.400 -0.061 0.000 2.360 514 K HA -0.183 4.128 4.320 -0.015 0.000 0.201 514 K C 1.221 177.790 176.600 -0.051 0.000 1.046 514 K CA 2.132 58.398 56.287 -0.035 0.000 0.945 514 K CB -0.569 31.890 32.500 -0.068 0.000 0.750 514 K HN 0.537 nan 8.250 nan 0.000 0.464 515 N N 0.172 118.815 118.700 -0.095 0.000 2.398 515 N HA 0.088 4.819 4.740 -0.015 0.000 0.188 515 N C 0.946 176.456 175.510 0.000 0.000 1.122 515 N CA 0.482 53.436 53.050 -0.160 0.000 0.866 515 N CB 0.954 39.199 38.487 -0.403 0.000 0.970 515 N HN 0.495 nan 8.380 nan 0.000 0.462 516 G N 0.178 109.005 108.800 0.043 0.000 2.708 516 G HA2 -0.310 3.641 3.960 -0.015 0.000 0.229 516 G HA3 -0.310 3.641 3.960 -0.015 0.000 0.229 516 G C 0.177 175.020 174.900 -0.096 0.000 1.236 516 G CA 0.218 45.345 45.100 0.046 0.000 0.749 516 G HN 0.622 nan 8.290 nan 0.000 0.515 517 A N -0.573 122.058 122.820 -0.315 0.000 2.413 517 A HA 0.990 5.301 4.320 -0.015 0.000 0.307 517 A C -0.700 176.797 177.584 -0.146 0.000 1.087 517 A CA 0.112 51.812 52.037 -0.560 0.000 0.750 517 A CB 1.432 19.477 19.000 -1.593 0.000 1.296 517 A HN 2.008 nan 8.150 nan 0.000 0.423 518 Y N -1.199 118.964 120.300 -0.228 0.000 2.638 518 Y HA 0.697 5.237 4.550 -0.015 0.000 0.335 518 Y C -1.547 174.295 175.900 -0.097 0.000 1.155 518 Y CA -1.406 56.641 58.100 -0.088 0.000 1.046 518 Y CB 0.811 39.240 38.460 -0.051 0.000 1.303 518 Y HN 0.528 nan 8.280 nan 0.000 0.460 519 L N 3.134 124.413 121.223 0.095 0.000 2.319 519 L HA 0.295 4.625 4.340 -0.015 0.000 0.280 519 L C 0.609 177.517 176.870 0.064 0.000 1.099 519 L CA -0.218 54.632 54.840 0.017 0.000 0.828 519 L CB 1.051 43.178 42.059 0.113 0.000 1.150 519 L HN 0.846 nan 8.230 nan 0.000 0.442 520 L N 2.614 123.782 121.223 -0.090 0.000 2.298 520 L HA 0.174 4.505 4.340 -0.015 0.000 0.209 520 L C 0.726 177.572 176.870 -0.041 0.000 1.084 520 L CA 0.597 55.407 54.840 -0.050 0.000 0.816 520 L CB 0.061 42.018 42.059 -0.169 0.000 0.967 520 L HN 0.516 nan 8.230 nan 0.000 0.460 521 K N 0.650 121.017 120.400 -0.056 0.000 2.482 521 K HA 0.344 4.655 4.320 -0.015 0.000 0.251 521 K C -1.281 175.308 176.600 -0.019 0.000 0.936 521 K CA -0.461 55.804 56.287 -0.036 0.000 0.791 521 K CB 2.224 34.690 32.500 -0.057 0.000 1.213 521 K HN -0.164 nan 8.250 nan 0.000 0.428 522 E N 2.319 122.516 120.200 -0.005 0.000 2.256 522 E HA 0.361 4.702 4.350 -0.015 0.000 0.268 522 E C -1.608 174.986 176.600 -0.010 0.000 0.877 522 E CA -0.683 55.710 56.400 -0.011 0.000 0.757 522 E CB 1.877 31.568 29.700 -0.015 0.000 1.183 522 E HN 0.545 nan 8.360 nan 0.000 0.418 523 S N 2.002 117.696 115.700 -0.010 0.000 2.500 523 S HA 0.536 4.997 4.470 -0.015 0.000 0.301 523 S C -0.259 174.330 174.600 -0.019 0.000 1.092 523 S CA -0.839 57.357 58.200 -0.007 0.000 1.030 523 S CB 1.554 64.760 63.200 0.010 0.000 1.031 523 S HN 0.632 nan 8.310 nan 0.000 0.483 524 K N 1.570 121.957 120.400 -0.022 0.000 2.414 524 K HA 0.230 4.541 4.320 -0.015 0.000 0.272 524 K C 0.475 177.059 176.600 -0.027 0.000 0.993 524 K CA -0.112 56.157 56.287 -0.029 0.000 0.964 524 K CB -0.413 32.070 32.500 -0.028 0.000 0.925 524 K HN 0.691 nan 8.250 nan 0.000 0.487 525 E N -1.553 118.627 120.200 -0.033 0.000 2.183 525 E HA -0.198 4.143 4.350 -0.015 0.000 0.196 525 E C 0.053 176.630 176.600 -0.038 0.000 1.364 525 E CA 0.938 57.316 56.400 -0.037 0.000 0.700 525 E CB -2.407 27.269 29.700 -0.039 0.000 1.106 525 E HN 1.052 nan 8.360 nan 0.000 0.347 526 A N 1.448 124.249 122.820 -0.031 0.000 2.488 526 A HA 0.139 4.450 4.320 -0.015 0.000 0.249 526 A C 1.401 178.942 177.584 -0.072 0.000 1.083 526 A CA 0.019 52.042 52.037 -0.023 0.000 0.768 526 A CB 0.568 19.570 19.000 0.003 0.000 1.017 526 A HN 0.110 nan 8.150 nan 0.000 0.496 527 K N 1.024 121.342 120.400 -0.137 0.000 2.211 527 K HA 0.143 4.454 4.320 -0.015 0.000 0.201 527 K C -0.691 175.558 176.600 -0.585 0.000 1.052 527 K CA 0.979 57.034 56.287 -0.387 0.000 0.973 527 K CB -0.033 32.155 32.500 -0.521 0.000 0.766 527 K HN 0.657 nan 8.250 nan 0.000 0.466 528 F N -0.215 119.758 119.950 0.038 0.000 2.588 528 F HA 0.331 4.849 4.527 -0.015 0.000 0.314 528 F C -0.065 175.749 175.800 0.023 0.000 1.069 528 F CA -0.866 57.145 58.000 0.019 0.000 0.931 528 F CB 2.033 41.025 39.000 -0.015 0.000 1.260 528 F HN -0.417 nan 8.300 nan 0.000 0.465 529 T N 3.204 117.905 114.554 0.245 0.000 2.879 529 T HA 0.620 4.961 4.350 -0.015 0.000 0.290 529 T C -1.117 173.647 174.700 0.107 0.000 0.993 529 T CA -0.486 61.695 62.100 0.134 0.000 0.975 529 T CB 1.123 70.049 68.868 0.097 0.000 0.981 529 T HN 0.178 nan 8.240 nan 0.000 0.439 530 L N 3.718 124.967 121.223 0.042 0.000 2.272 530 L HA 0.609 4.940 4.340 -0.015 0.000 0.289 530 L C -0.392 176.461 176.870 -0.028 0.000 1.032 530 L CA -0.351 54.491 54.840 0.002 0.000 0.810 530 L CB 1.111 43.147 42.059 -0.039 0.000 1.205 530 L HN 0.518 nan 8.230 nan 0.000 0.422 531 L N 3.600 124.818 121.223 -0.010 0.000 2.333 531 L HA 0.973 5.304 4.340 -0.015 0.000 0.280 531 L C -0.574 176.282 176.870 -0.023 0.000 1.004 531 L CA -0.048 54.766 54.840 -0.042 0.000 0.820 531 L CB 1.328 43.388 42.059 0.001 0.000 1.247 531 L HN 0.768 nan 8.230 nan 0.000 0.416 532 A N 2.953 125.735 122.820 -0.065 0.000 2.593 532 A HA 0.883 5.194 4.320 -0.015 0.000 0.290 532 A C -1.078 176.478 177.584 -0.048 0.000 1.126 532 A CA -0.148 51.873 52.037 -0.026 0.000 0.695 532 A CB 1.970 20.956 19.000 -0.024 0.000 1.290 532 A HN 0.741 nan 8.150 nan 0.000 0.414 533 S N -0.815 114.881 115.700 -0.005 0.000 2.634 533 S HA 0.827 5.288 4.470 -0.015 0.000 0.296 533 S C 0.755 175.358 174.600 0.005 0.000 1.104 533 S CA 0.399 58.597 58.200 -0.003 0.000 0.920 533 S CB 1.004 64.225 63.200 0.036 0.000 1.111 533 S HN 2.789 nan 8.310 nan 0.000 0.493 534 G N 2.258 111.065 108.800 0.011 0.000 2.634 534 G HA2 -0.385 3.566 3.960 -0.015 0.000 0.309 534 G HA3 -0.385 3.566 3.960 -0.015 0.000 0.309 534 G C 1.146 176.054 174.900 0.013 0.000 1.265 534 G CA 1.522 46.634 45.100 0.019 0.000 0.998 534 G HN 2.112 nan 8.290 nan 0.000 0.551 535 S N 0.019 115.724 115.700 0.008 0.000 2.500 535 S HA 0.027 4.488 4.470 -0.015 0.000 0.239 535 S C 1.671 176.244 174.600 -0.046 0.000 0.989 535 S CA 2.100 60.290 58.200 -0.016 0.000 0.951 535 S CB 0.060 63.248 63.200 -0.020 0.000 0.759 535 S HN 0.618 nan 8.310 nan 0.000 0.523 536 E N 0.796 120.980 120.200 -0.027 0.000 2.447 536 E HA 0.204 4.545 4.350 -0.015 0.000 0.195 536 E C 1.764 178.365 176.600 0.001 0.000 1.028 536 E CA 0.069 56.465 56.400 -0.006 0.000 0.876 536 E CB -0.199 29.525 29.700 0.040 0.000 0.885 536 E HN 0.370 nan 8.360 nan 0.000 0.500 537 V N -0.384 119.515 119.914 -0.025 0.000 2.343 537 V HA -0.241 3.870 4.120 -0.015 0.000 0.247 537 V C 1.605 177.616 176.094 -0.139 0.000 1.051 537 V CA 1.639 63.878 62.300 -0.101 0.000 1.036 537 V CB -0.473 31.266 31.823 -0.140 0.000 0.654 537 V HN 0.447 nan 8.190 nan 0.000 0.451 538 W N -0.418 120.849 121.300 -0.054 0.000 2.402 538 W HA -0.118 4.532 4.660 -0.017 0.000 0.286 538 W C 2.248 178.737 176.519 -0.050 0.000 1.221 538 W CA 1.300 58.615 57.345 -0.049 0.000 1.257 538 W CB -0.236 29.192 29.460 -0.053 0.000 1.120 538 W HN 0.201 nan 8.180 nan 0.000 0.551 539 L N -0.073 121.240 121.223 0.149 0.000 2.083 539 L HA -0.207 4.124 4.340 -0.015 0.000 0.209 539 L C 2.039 178.929 176.870 0.034 0.000 1.083 539 L CA 1.970 56.866 54.840 0.092 0.000 0.752 539 L CB -1.199 40.905 42.059 0.074 0.000 0.899 539 L HN -0.033 nan 8.230 nan 0.000 0.433 540 C N -0.895 118.393 119.300 -0.019 0.000 2.466 540 C HA -0.054 4.397 4.460 -0.015 0.000 0.278 540 C C 2.710 177.638 174.990 -0.103 0.000 1.288 540 C CA 0.600 59.576 59.018 -0.070 0.000 1.722 540 C CB -0.981 26.705 27.740 -0.089 0.000 2.017 540 C HN 0.591 nan 8.230 nan 0.000 0.488 541 L N 0.663 121.769 121.223 -0.194 0.000 2.012 541 L HA -0.166 4.165 4.340 -0.015 0.000 0.210 541 L C 2.796 179.626 176.870 -0.067 0.000 1.073 541 L CA 1.485 56.157 54.840 -0.279 0.000 0.748 541 L CB -0.725 40.854 42.059 -0.800 0.000 0.891 541 L HN 0.349 nan 8.230 nan 0.000 0.431 542 E N -0.204 120.056 120.200 0.099 0.000 2.118 542 E HA -0.175 4.166 4.350 -0.015 0.000 0.195 542 E C 2.357 178.995 176.600 0.063 0.000 0.992 542 E CA 1.555 58.051 56.400 0.159 0.000 0.804 542 E CB -0.166 29.660 29.700 0.211 0.000 0.741 542 E HN 0.424 nan 8.360 nan 0.000 0.458 543 S N 0.801 116.510 115.700 0.016 0.000 2.387 543 S HA -0.049 4.412 4.470 -0.015 0.000 0.226 543 S C 2.105 176.691 174.600 -0.022 0.000 1.026 543 S CA 0.846 59.031 58.200 -0.025 0.000 0.972 543 S CB -0.060 63.094 63.200 -0.077 0.000 0.814 543 S HN 0.377 nan 8.310 nan 0.000 0.477 544 A N 2.620 125.427 122.820 -0.021 0.000 1.933 544 A HA -0.134 4.177 4.320 -0.015 0.000 0.218 544 A C 1.920 179.527 177.584 0.038 0.000 1.175 544 A CA 1.410 53.450 52.037 0.005 0.000 0.628 544 A CB -0.583 18.410 19.000 -0.013 0.000 0.814 544 A HN 0.410 nan 8.150 nan 0.000 0.444 545 N N -0.183 118.539 118.700 0.036 0.000 2.084 545 N HA -0.154 4.577 4.740 -0.015 0.000 0.190 545 N C 1.732 177.281 175.510 0.065 0.000 1.030 545 N CA 1.633 54.717 53.050 0.056 0.000 0.849 545 N CB -0.424 38.106 38.487 0.072 0.000 1.012 545 N HN 0.622 nan 8.380 nan 0.000 0.423 546 E N 1.169 121.403 120.200 0.057 0.000 2.058 546 E HA -0.059 4.282 4.350 -0.015 0.000 0.194 546 E C 2.071 178.725 176.600 0.091 0.000 0.997 546 E CA 0.856 57.292 56.400 0.060 0.000 0.801 546 E CB -0.425 29.297 29.700 0.037 0.000 0.746 546 E HN 0.285 nan 8.360 nan 0.000 0.450 547 L N 0.688 121.965 121.223 0.090 0.000 2.013 547 L HA -0.231 4.100 4.340 -0.015 0.000 0.212 547 L C 2.554 179.590 176.870 0.278 0.000 1.073 547 L CA 1.683 56.638 54.840 0.192 0.000 0.753 547 L CB -0.550 41.589 42.059 0.133 0.000 0.890 547 L HN 0.192 nan 8.230 nan 0.000 0.432 548 E N 0.277 120.581 120.200 0.173 0.000 2.077 548 E HA -0.235 4.105 4.350 -0.015 0.000 0.193 548 E C 2.199 178.853 176.600 0.090 0.000 0.989 548 E CA 1.208 57.684 56.400 0.127 0.000 0.800 548 E CB -0.153 29.597 29.700 0.082 0.000 0.746 548 E HN 0.472 nan 8.360 nan 0.000 0.452 549 K N 0.627 121.078 120.400 0.084 0.000 2.103 549 K HA -0.150 4.161 4.320 -0.015 0.000 0.207 549 K C 2.105 178.743 176.600 0.064 0.000 1.048 549 K CA 1.086 57.410 56.287 0.061 0.000 0.930 549 K CB -0.040 32.494 32.500 0.056 0.000 0.716 549 K HN 0.152 nan 8.250 nan 0.000 0.444 550 Q N -0.947 118.925 119.800 0.120 0.000 2.482 550 Q HA 0.018 4.349 4.340 -0.015 0.000 0.209 550 Q C 0.614 176.600 176.000 -0.024 0.000 0.961 550 Q CA 0.625 56.508 55.803 0.132 0.000 0.945 550 Q CB 0.705 29.622 28.738 0.298 0.000 1.012 550 Q HN 0.537 nan 8.270 nan 0.000 0.515 551 G N 0.399 109.161 108.800 -0.065 0.000 2.138 551 G HA2 -0.208 3.743 3.960 -0.015 0.000 0.193 551 G HA3 -0.208 3.743 3.960 -0.015 0.000 0.193 551 G C -0.457 174.198 174.900 -0.409 0.000 0.998 551 G CA -0.633 44.311 45.100 -0.260 0.000 0.668 551 G HN 0.211 nan 8.290 nan 0.000 0.516 552 F N 1.423 121.414 119.950 0.069 0.000 2.427 552 F HA 0.726 5.244 4.527 -0.015 0.000 0.348 552 F C 0.722 176.571 175.800 0.082 0.000 1.125 552 F CA -0.587 57.468 58.000 0.092 0.000 0.989 552 F CB 1.779 40.934 39.000 0.259 0.000 1.165 552 F HN 0.326 nan 8.300 nan 0.000 0.442 553 A N 2.777 125.692 122.820 0.158 0.000 2.488 553 A HA 0.469 4.780 4.320 -0.015 0.000 0.249 553 A C -0.475 177.191 177.584 0.137 0.000 1.083 553 A CA -0.085 52.012 52.037 0.101 0.000 0.768 553 A CB -0.204 18.815 19.000 0.030 0.000 1.017 553 A HN 0.876 nan 8.150 nan 0.000 0.496 554 C N 2.495 121.869 119.300 0.123 0.000 2.626 554 C HA 0.579 5.030 4.460 -0.015 0.000 0.310 554 C C -0.148 174.879 174.990 0.061 0.000 1.191 554 C CA -0.967 58.130 59.018 0.131 0.000 1.517 554 C CB 1.677 29.501 27.740 0.139 0.000 2.102 554 C HN 0.956 nan 8.230 nan 0.000 0.479 555 N N 0.641 119.372 118.700 0.051 0.000 2.456 555 N HA 0.726 5.457 4.740 -0.015 0.000 0.296 555 N C -1.038 174.464 175.510 -0.013 0.000 1.102 555 N CA -0.300 52.754 53.050 0.008 0.000 0.924 555 N CB 1.673 40.160 38.487 0.002 0.000 1.186 555 N HN 0.415 nan 8.380 nan 0.000 0.492 556 V N 1.477 121.355 119.914 -0.059 0.000 2.540 556 V HA 0.462 4.573 4.120 -0.015 0.000 0.302 556 V C -0.343 175.653 176.094 -0.163 0.000 1.035 556 V CA -0.783 61.452 62.300 -0.108 0.000 0.873 556 V CB 1.950 33.687 31.823 -0.145 0.000 0.992 556 V HN 0.285 nan 8.190 nan 0.000 0.428 557 V N 3.648 123.446 119.914 -0.194 0.000 2.409 557 V HA 0.495 4.606 4.120 -0.015 0.000 0.291 557 V C 0.331 176.207 176.094 -0.363 0.000 1.020 557 V CA -0.066 62.061 62.300 -0.288 0.000 0.848 557 V CB 1.891 33.565 31.823 -0.248 0.000 0.990 557 V HN 0.935 nan 8.190 nan 0.000 0.430 561 C N 0.987 120.331 119.300 0.074 0.000 2.892 561 C HA 0.467 4.918 4.460 -0.015 0.000 0.360 561 C C 1.388 176.440 174.990 0.103 0.000 1.054 561 C CA -0.957 58.060 59.018 -0.002 0.000 1.326 561 C CB -0.877 26.750 27.740 -0.189 0.000 1.806 561 C HN 0.318 nan 8.230 nan 0.000 0.490 562 F N 3.083 123.051 119.950 0.031 0.000 2.095 562 F HA -0.114 4.404 4.527 -0.016 0.000 0.298 562 F C 1.839 177.751 175.800 0.187 0.000 1.104 562 F CA 2.483 60.585 58.000 0.170 0.000 1.232 562 F CB 0.361 39.473 39.000 0.187 0.000 0.987 562 F HN 0.727 nan 8.300 nan 0.000 0.475 563 E N 0.675 121.109 120.200 0.389 0.000 2.118 563 E HA -0.220 4.121 4.350 -0.015 0.000 0.195 563 E C 2.199 178.875 176.600 0.128 0.000 0.992 563 E CA 1.677 58.232 56.400 0.257 0.000 0.804 563 E CB -0.435 29.354 29.700 0.147 0.000 0.741 563 E HN 0.472 nan 8.360 nan 0.000 0.458 564 L N -0.412 120.856 121.223 0.076 0.000 2.109 564 L HA -0.095 4.236 4.340 -0.015 0.000 0.207 564 L C 2.177 179.114 176.870 0.112 0.000 1.086 564 L CA 0.577 55.456 54.840 0.065 0.000 0.760 564 L CB -0.264 41.827 42.059 0.052 0.000 0.910 564 L HN 0.167 nan 8.230 nan 0.000 0.437 565 F N 1.375 121.265 119.950 -0.099 0.000 2.186 565 F HA -0.157 4.362 4.527 -0.015 0.000 0.299 565 F C 2.332 178.071 175.800 -0.103 0.000 1.090 565 F CA 1.279 59.159 58.000 -0.200 0.000 1.307 565 F CB -0.290 38.434 39.000 -0.461 0.000 1.019 565 F HN 0.089 nan 8.300 nan 0.000 0.489 566 E N -0.051 120.153 120.200 0.006 0.000 2.209 566 E HA -0.225 4.116 4.350 -0.015 0.000 0.196 566 E C 1.725 178.325 176.600 0.000 0.000 0.993 566 E CA 1.151 57.576 56.400 0.042 0.000 0.819 566 E CB -0.158 29.592 29.700 0.083 0.000 0.745 566 E HN 0.448 nan 8.360 nan 0.000 0.477 567 K N 0.345 120.753 120.400 0.014 0.000 2.404 567 K HA 0.046 4.357 4.320 -0.015 0.000 0.194 567 K C 0.377 176.975 176.600 -0.005 0.000 1.023 567 K CA 0.045 56.338 56.287 0.011 0.000 1.094 567 K CB 0.396 32.908 32.500 0.021 0.000 0.841 567 K HN 0.012 nan 8.250 nan 0.000 0.523 568 Q N 1.810 121.602 119.800 -0.014 0.000 2.354 568 Q HA 0.018 4.349 4.340 -0.015 0.000 0.244 568 Q C -0.251 175.769 176.000 0.034 0.000 0.969 568 Q CA 0.011 55.813 55.803 -0.001 0.000 0.885 568 Q CB 0.759 29.547 28.738 0.082 0.000 1.241 568 Q HN 0.254 nan 8.270 nan 0.000 0.461 569 D N -0.230 120.209 120.400 0.066 0.000 2.358 569 D HA 0.187 4.818 4.640 -0.015 0.000 0.244 569 D C 1.028 177.400 176.300 0.120 0.000 1.163 569 D CA 0.155 54.203 54.000 0.081 0.000 0.945 569 D CB 0.477 41.322 40.800 0.074 0.000 1.152 569 D HN 0.449 nan 8.370 nan 0.000 0.451 570 K N 0.929 121.377 120.400 0.081 0.000 2.059 570 K HA -0.159 4.152 4.320 -0.015 0.000 0.212 570 K C 2.207 178.868 176.600 0.102 0.000 1.050 570 K CA 2.569 58.900 56.287 0.074 0.000 0.927 570 K CB -1.591 30.939 32.500 0.051 0.000 0.714 570 K HN 0.685 nan 8.250 nan 0.000 0.447 571 A N -0.740 122.151 122.820 0.119 0.000 1.933 571 A HA -0.029 4.282 4.320 -0.015 0.000 0.218 571 A C 2.297 179.988 177.584 0.179 0.000 1.175 571 A CA 1.884 53.995 52.037 0.124 0.000 0.628 571 A CB -0.606 18.464 19.000 0.118 0.000 0.814 571 A HN 0.755 nan 8.150 nan 0.000 0.444 572 Y N 0.479 120.867 120.300 0.147 0.000 2.163 572 Y HA -0.213 4.327 4.550 -0.015 0.000 0.288 572 Y C 2.561 178.605 175.900 0.241 0.000 1.136 572 Y CA 2.274 60.517 58.100 0.238 0.000 1.147 572 Y CB -0.398 38.182 38.460 0.201 0.000 0.987 572 Y HN 0.432 nan 8.280 nan 0.000 0.509 573 Q N -0.090 119.857 119.800 0.245 0.000 2.084 573 Q HA -0.216 4.114 4.340 -0.015 0.000 0.202 573 Q C 2.121 178.177 176.000 0.092 0.000 0.978 573 Q CA 1.882 57.786 55.803 0.168 0.000 0.844 573 Q CB -0.195 28.558 28.738 0.025 0.000 0.898 573 Q HN 0.602 nan 8.270 nan 0.000 0.426 574 E N 0.407 120.646 120.200 0.066 0.000 2.153 574 E HA -0.203 4.138 4.350 -0.015 0.000 0.194 574 E C 2.005 178.604 176.600 -0.002 0.000 0.988 574 E CA 0.690 57.114 56.400 0.040 0.000 0.811 574 E CB 0.003 29.724 29.700 0.036 0.000 0.746 574 E HN 0.173 nan 8.360 nan 0.000 0.466 575 R N 0.365 120.838 120.500 -0.045 0.000 2.075 575 R HA -0.135 4.196 4.340 -0.015 0.000 0.232 575 R C 2.016 178.251 176.300 -0.109 0.000 1.126 575 R CA 0.870 56.895 56.100 -0.124 0.000 0.963 575 R CB -0.028 30.125 30.300 -0.246 0.000 0.858 575 R HN 0.050 nan 8.270 nan 0.000 0.435 576 L N 0.569 121.735 121.223 -0.095 0.000 2.056 576 L HA -0.015 4.315 4.340 -0.015 0.000 0.207 576 L C 0.783 177.655 176.870 0.002 0.000 1.078 576 L CA 1.355 56.157 54.840 -0.063 0.000 0.749 576 L CB -0.204 41.797 42.059 -0.097 0.000 0.901 576 L HN 0.156 nan 8.230 nan 0.000 0.433 577 L N 1.074 122.330 121.223 0.056 0.000 2.407 577 L HA 0.236 4.567 4.340 -0.015 0.000 0.261 577 L C -0.202 176.725 176.870 0.095 0.000 1.108 577 L CA -0.373 54.527 54.840 0.100 0.000 0.995 577 L CB -0.126 42.026 42.059 0.154 0.000 1.349 577 L HN -0.040 nan 8.230 nan 0.000 0.423 578 K N 1.457 121.901 120.400 0.073 0.000 2.123 578 K HA 0.713 5.024 4.320 -0.015 0.000 0.259 578 K C 0.674 177.316 176.600 0.071 0.000 0.960 578 K CA 0.075 56.395 56.287 0.055 0.000 0.872 578 K CB 2.092 34.601 32.500 0.015 0.000 1.079 578 K HN 0.490 nan 8.250 nan 0.000 0.440 579 G N 1.992 110.814 108.800 0.036 0.000 2.566 579 G HA2 -0.326 3.625 3.960 -0.015 0.000 0.280 579 G HA3 -0.326 3.625 3.960 -0.015 0.000 0.280 579 G C -0.460 174.466 174.900 0.044 0.000 1.225 579 G CA 0.105 45.197 45.100 -0.013 0.000 0.966 579 G HN 0.639 nan 8.290 nan 0.000 0.560 580 E N -0.550 119.670 120.200 0.034 0.000 2.200 580 E HA 0.508 4.848 4.350 -0.015 0.000 0.283 580 E C -0.208 176.601 176.600 0.349 0.000 1.015 580 E CA -0.685 55.792 56.400 0.128 0.000 0.819 580 E CB 1.077 30.857 29.700 0.133 0.000 1.081 580 E HN 0.489 nan 8.360 nan 0.000 0.397 581 V N 6.243 126.473 119.914 0.527 0.000 2.398 581 V HA 0.346 4.457 4.120 -0.015 0.000 0.286 581 V C -0.294 175.959 176.094 0.265 0.000 1.026 581 V CA -0.669 61.826 62.300 0.326 0.000 0.868 581 V CB 1.115 33.081 31.823 0.238 0.000 0.982 581 V HN 0.582 nan 8.190 nan 0.000 0.443 582 I N 3.999 124.682 120.570 0.188 0.000 2.389 582 I HA 0.633 4.794 4.170 -0.015 0.000 0.288 582 I C 0.771 176.956 176.117 0.112 0.000 0.999 582 I CA 0.141 61.541 61.300 0.165 0.000 1.129 582 I CB 1.749 39.836 38.000 0.145 0.000 1.288 582 I HN 0.669 nan 8.210 nan 0.000 0.444 583 G N 5.212 114.073 108.800 0.102 0.000 2.367 583 G HA2 0.647 4.598 3.960 -0.015 0.000 0.314 583 G HA3 0.647 4.598 3.960 -0.015 0.000 0.314 583 G C -1.040 173.924 174.900 0.106 0.000 1.130 583 G CA -0.422 44.729 45.100 0.085 0.000 0.864 583 G HN 0.373 nan 8.290 nan 0.000 0.486 584 V N 2.083 122.068 119.914 0.118 0.000 2.524 584 V HA 0.548 4.659 4.120 -0.015 0.000 0.297 584 V C -0.460 175.754 176.094 0.200 0.000 1.035 584 V CA -0.664 61.752 62.300 0.194 0.000 0.867 584 V CB 1.522 33.432 31.823 0.145 0.000 1.004 584 V HN 0.868 nan 8.190 nan 0.000 0.426 585 E N 2.366 122.725 120.200 0.266 0.000 2.335 585 E HA 0.557 4.897 4.350 -0.015 0.000 0.280 585 E C -0.577 176.108 176.600 0.140 0.000 0.918 585 E CA -0.803 55.693 56.400 0.161 0.000 0.765 585 E CB 2.338 32.107 29.700 0.115 0.000 1.218 585 E HN 0.773 nan 8.360 nan 0.000 0.425 586 A N 2.196 124.957 122.820 -0.098 0.000 3.048 586 A HA 0.568 4.879 4.320 -0.015 0.000 0.264 586 A C -0.159 177.380 177.584 -0.075 0.000 1.796 586 A CA 0.659 52.535 52.037 -0.268 0.000 1.445 586 A CB -0.603 18.161 19.000 -0.393 0.000 1.074 586 A HN 0.478 nan 8.150 nan 0.000 0.621 587 A N 0.172 123.005 122.820 0.022 0.000 2.586 587 A HA 0.587 4.898 4.320 -0.015 0.000 0.290 587 A C -0.805 176.832 177.584 0.089 0.000 1.086 587 A CA -0.591 51.465 52.037 0.032 0.000 0.665 587 A CB 0.464 19.497 19.000 0.054 0.000 1.279 587 A HN 0.669 nan 8.150 nan 0.000 0.423 588 H N 1.526 120.558 119.070 -0.063 0.000 2.787 588 H HA 0.475 5.021 4.556 -0.015 0.000 0.275 588 H C -0.461 174.842 175.328 -0.041 0.000 1.183 588 H CA 0.334 56.347 56.048 -0.059 0.000 1.290 588 H CB 0.392 30.089 29.762 -0.109 0.000 1.438 588 H HN 0.536 nan 8.280 nan 0.000 0.487 589 S N 2.909 118.607 115.700 -0.003 0.000 2.112 589 S HA 0.105 4.566 4.470 -0.015 0.000 0.151 589 S C 0.448 175.018 174.600 -0.050 0.000 1.723 589 S CA -0.898 57.264 58.200 -0.064 0.000 1.263 589 S CB 0.072 63.267 63.200 -0.009 0.000 1.194 589 S HN 0.746 nan 8.310 nan 0.000 0.419 590 N N 2.525 121.164 118.700 -0.102 0.000 2.364 590 N HA -0.159 4.572 4.740 -0.015 0.000 0.183 590 N C 1.984 177.567 175.510 0.123 0.000 1.022 590 N CA 1.066 54.161 53.050 0.076 0.000 0.883 590 N CB 0.011 38.504 38.487 0.011 0.000 0.965 590 N HN 0.728 nan 8.380 nan 0.000 0.438 591 E N 1.595 121.787 120.200 -0.013 0.000 2.267 591 E HA -0.208 4.133 4.350 -0.015 0.000 0.197 591 E C 1.634 178.371 176.600 0.229 0.000 0.998 591 E CA 0.838 57.240 56.400 0.003 0.000 0.830 591 E CB -0.525 28.985 29.700 -0.317 0.000 0.751 591 E HN 0.508 nan 8.360 nan 0.000 0.491 592 L N -0.118 121.218 121.223 0.189 0.000 2.265 592 L HA -0.132 4.199 4.340 -0.015 0.000 0.215 592 L C 2.074 179.015 176.870 0.119 0.000 1.117 592 L CA 0.885 55.885 54.840 0.267 0.000 0.782 592 L CB -0.576 41.553 42.059 0.117 0.000 0.914 592 L HN 0.033 nan 8.230 nan 0.000 0.441 593 Y N 0.200 120.567 120.300 0.111 0.000 2.465 593 Y HA -0.289 4.252 4.550 -0.015 0.000 0.289 593 Y C 2.530 178.397 175.900 -0.055 0.000 1.150 593 Y CA 1.238 59.361 58.100 0.038 0.000 1.293 593 Y CB -0.462 38.013 38.460 0.026 0.000 0.977 593 Y HN 0.150 nan 8.280 nan 0.000 0.556 594 K N -0.564 119.834 120.400 -0.004 0.000 2.147 594 K HA -0.163 4.148 4.320 -0.015 0.000 0.205 594 K C 0.619 176.879 176.600 -0.567 0.000 1.049 594 K CA 1.595 57.668 56.287 -0.357 0.000 0.936 594 K CB -0.165 31.958 32.500 -0.627 0.000 0.722 594 K HN 0.256 nan 8.250 nan 0.000 0.446 595 F N -0.977 118.983 119.950 0.016 0.000 2.728 595 F HA 0.251 4.770 4.527 -0.015 0.000 0.314 595 F C 0.120 175.899 175.800 -0.035 0.000 1.094 595 F CA -0.691 57.300 58.000 -0.016 0.000 1.217 595 F CB 0.552 39.596 39.000 0.074 0.000 1.056 595 F HN -0.131 nan 8.300 nan 0.000 0.577 596 C N 0.100 119.450 119.300 0.084 0.000 2.563 596 C HA 0.357 4.808 4.460 -0.015 0.000 0.314 596 C C 1.589 176.557 174.990 -0.036 0.000 1.199 596 C CA -0.616 58.413 59.018 0.018 0.000 1.564 596 C CB 1.016 28.774 27.740 0.030 0.000 2.173 596 C HN 0.399 nan 8.230 nan 0.000 0.485 597 H N 0.535 119.712 119.070 0.178 0.000 2.436 597 H HA 0.067 4.614 4.556 -0.015 0.000 0.294 597 H C 0.230 175.721 175.328 0.270 0.000 1.048 597 H CA 0.918 57.094 56.048 0.215 0.000 1.353 597 H CB 0.376 30.233 29.762 0.159 0.000 1.414 597 H HN 0.578 nan 8.280 nan 0.000 0.536 598 K N 0.724 121.311 120.400 0.313 0.000 2.435 598 K HA 0.554 4.865 4.320 -0.015 0.000 0.251 598 K C -1.101 175.571 176.600 0.121 0.000 0.954 598 K CA -0.701 55.773 56.287 0.311 0.000 0.820 598 K CB 3.656 36.379 32.500 0.371 0.000 1.292 598 K HN -0.240 nan 8.250 nan 0.000 0.436 599 V N 2.216 122.171 119.914 0.069 0.000 2.531 599 V HA 0.243 4.354 4.120 -0.015 0.000 0.301 599 V C -1.582 174.553 176.094 0.069 0.000 1.034 599 V CA -0.817 61.447 62.300 -0.060 0.000 0.865 599 V CB 1.367 32.942 31.823 -0.413 0.000 0.995 599 V HN 0.697 nan 8.190 nan 0.000 0.424 600 Y N 4.124 124.338 120.300 -0.143 0.000 2.721 600 Y HA 0.740 5.280 4.550 -0.016 0.000 0.328 600 Y C 0.447 176.287 175.900 -0.099 0.000 1.003 600 Y CA -0.074 57.817 58.100 -0.348 0.000 1.275 600 Y CB 0.996 39.126 38.460 -0.550 0.000 1.097 600 Y HN 0.745 nan 8.280 nan 0.000 0.514 601 G N 4.097 112.802 108.800 -0.158 0.000 3.262 601 G HA2 0.573 4.524 3.960 -0.015 0.000 0.229 601 G HA3 0.573 4.524 3.960 -0.015 0.000 0.229 601 G C -1.439 173.480 174.900 0.031 0.000 1.280 601 G CA -0.935 44.207 45.100 0.070 0.000 0.951 601 G HN 0.393 nan 8.290 nan 0.000 0.589 602 I N 0.251 120.869 120.570 0.080 0.000 2.436 602 I HA 0.332 4.493 4.170 -0.015 0.000 0.289 602 I C 0.003 176.028 176.117 -0.154 0.000 1.010 602 I CA -0.299 61.001 61.300 0.001 0.000 1.098 602 I CB 2.479 40.436 38.000 -0.072 0.000 1.266 602 I HN 0.603 nan 8.210 nan 0.000 0.434 603 E N 3.320 123.387 120.200 -0.222 0.000 2.498 603 E HA 0.089 4.430 4.350 -0.015 0.000 0.203 603 E C 0.108 176.446 176.600 -0.437 0.000 1.013 603 E CA -0.071 56.026 56.400 -0.504 0.000 0.927 603 E CB 0.798 30.303 29.700 -0.325 0.000 1.012 603 E HN 0.725 nan 8.360 nan 0.000 0.482 604 S N -0.833 114.709 115.700 -0.263 0.000 2.740 604 S HA 0.512 4.973 4.470 -0.015 0.000 0.300 604 S C -0.222 174.210 174.600 -0.281 0.000 1.147 604 S CA -0.911 57.159 58.200 -0.218 0.000 0.871 604 S CB 0.776 63.995 63.200 0.031 0.000 1.173 604 S HN -0.071 nan 8.310 nan 0.000 0.510 605 F N 1.125 121.054 119.950 -0.035 0.000 2.435 605 F HA 0.555 5.073 4.527 -0.016 0.000 0.316 605 F C 1.728 177.495 175.800 -0.056 0.000 1.220 605 F CA 0.682 58.644 58.000 -0.063 0.000 1.241 605 F CB -0.009 38.971 39.000 -0.033 0.000 1.234 605 F HN 0.950 nan 8.300 nan 0.000 0.569 606 G N -0.449 108.412 108.800 0.101 0.000 2.489 606 G HA2 0.447 4.398 3.960 -0.015 0.000 0.271 606 G HA3 0.447 4.398 3.960 -0.015 0.000 0.271 606 G C -0.907 174.099 174.900 0.178 0.000 1.427 606 G CA -0.365 44.707 45.100 -0.048 0.000 1.057 606 G HN 0.439 nan 8.290 nan 0.000 0.532 607 E N -1.243 119.051 120.200 0.158 0.000 2.366 607 E HA 0.331 4.672 4.350 -0.015 0.000 0.278 607 E C -1.092 175.546 176.600 0.063 0.000 0.923 607 E CA -0.679 55.811 56.400 0.149 0.000 0.761 607 E CB 1.902 31.735 29.700 0.222 0.000 1.231 607 E HN 0.320 nan 8.360 nan 0.000 0.443 608 S N 0.756 116.477 115.700 0.035 0.000 2.448 608 S HA 0.654 5.115 4.470 -0.015 0.000 0.279 608 S C -0.071 174.536 174.600 0.011 0.000 1.195 608 S CA 0.379 58.581 58.200 0.005 0.000 1.051 608 S CB -0.042 63.154 63.200 -0.006 0.000 0.948 608 S HN 0.620 nan 8.310 nan 0.000 0.493 609 G N 3.851 112.652 108.800 0.001 0.000 2.451 609 G HA2 0.283 4.234 3.960 -0.015 0.000 0.292 609 G HA3 0.283 4.234 3.960 -0.015 0.000 0.292 609 G C -1.729 173.171 174.900 -0.001 0.000 1.427 609 G CA -1.019 44.085 45.100 0.007 0.000 0.792 609 G HN 0.641 nan 8.290 nan 0.000 0.498 610 K N 0.613 121.020 120.400 0.012 0.000 2.524 610 K HA 0.047 4.358 4.320 -0.015 0.000 0.279 610 K C 1.181 177.796 176.600 0.025 0.000 0.993 610 K CA 0.510 56.807 56.287 0.018 0.000 1.030 610 K CB 0.959 33.477 32.500 0.029 0.000 0.891 610 K HN 0.660 nan 8.250 nan 0.000 0.488 611 D N 3.608 124.021 120.400 0.021 0.000 2.133 611 D HA -0.259 4.372 4.640 -0.015 0.000 0.192 611 D C 1.010 177.416 176.300 0.176 0.000 1.001 611 D CA 1.791 55.810 54.000 0.032 0.000 0.844 611 D CB -0.045 40.808 40.800 0.089 0.000 0.944 611 D HN 0.434 nan 8.370 nan 0.000 0.447 612 K N -0.085 120.426 120.400 0.185 0.000 2.097 612 K HA -0.094 4.217 4.320 -0.015 0.000 0.205 612 K C 1.750 178.464 176.600 0.190 0.000 1.050 612 K CA 1.355 57.775 56.287 0.221 0.000 0.938 612 K CB 0.026 32.606 32.500 0.133 0.000 0.718 612 K HN 0.116 nan 8.250 nan 0.000 0.442 613 D N 0.137 120.611 120.400 0.122 0.000 2.117 613 D HA -0.121 4.510 4.640 -0.015 0.000 0.198 613 D C 1.882 178.254 176.300 0.120 0.000 0.982 613 D CA 0.973 55.031 54.000 0.097 0.000 0.828 613 D CB -0.148 40.687 40.800 0.058 0.000 0.967 613 D HN -0.061 nan 8.370 nan 0.000 0.464 614 V N 0.506 120.485 119.914 0.110 0.000 2.379 614 V HA -0.182 3.929 4.120 -0.015 0.000 0.245 614 V C 2.131 178.393 176.094 0.278 0.000 1.044 614 V CA 1.050 63.442 62.300 0.154 0.000 1.036 614 V CB -0.549 31.287 31.823 0.021 0.000 0.664 614 V HN 0.032 nan 8.190 nan 0.000 0.453 615 F N 0.889 120.981 119.950 0.236 0.000 2.171 615 F HA -0.149 4.369 4.527 -0.016 0.000 0.300 615 F C 2.475 178.471 175.800 0.326 0.000 1.090 615 F CA 1.927 60.110 58.000 0.305 0.000 1.293 615 F CB -0.456 38.659 39.000 0.192 0.000 1.013 615 F HN 0.205 nan 8.300 nan 0.000 0.486 616 E N 0.531 120.961 120.200 0.382 0.000 2.072 616 E HA -0.226 4.115 4.350 -0.015 0.000 0.191 616 E C 2.278 178.956 176.600 0.131 0.000 0.985 616 E CA 1.211 57.745 56.400 0.223 0.000 0.801 616 E CB -0.169 29.617 29.700 0.144 0.000 0.750 616 E HN 0.106 nan 8.360 nan 0.000 0.452 617 R N -0.436 120.110 120.500 0.077 0.000 2.091 617 R HA -0.103 4.228 4.340 -0.015 0.000 0.238 617 R C 1.497 177.633 176.300 -0.272 0.000 1.136 617 R CA 1.696 57.721 56.100 -0.125 0.000 0.959 617 R CB -0.818 29.361 30.300 -0.201 0.000 0.856 617 R HN 0.273 nan 8.270 nan 0.000 0.437 618 F N -0.415 119.603 119.950 0.113 0.000 2.773 618 F HA 0.312 4.830 4.527 -0.015 0.000 0.304 618 F C 1.535 177.278 175.800 -0.094 0.000 1.129 618 F CA 0.729 58.784 58.000 0.092 0.000 1.378 618 F CB 0.588 39.742 39.000 0.257 0.000 1.095 618 F HN 0.365 nan 8.300 nan 0.000 0.565 619 G N -0.379 108.444 108.800 0.038 0.000 2.157 619 G HA2 -0.306 3.645 3.960 -0.015 0.000 0.239 619 G HA3 -0.306 3.645 3.960 -0.015 0.000 0.239 619 G C 0.117 174.956 174.900 -0.101 0.000 0.982 619 G CA -0.548 44.498 45.100 -0.090 0.000 0.650 619 G HN 0.214 nan 8.290 nan 0.000 0.527 620 F N 2.857 122.984 119.950 0.295 0.000 2.541 620 F HA 0.561 5.080 4.527 -0.014 0.000 0.351 620 F C 0.955 176.826 175.800 0.119 0.000 1.209 620 F CA 0.084 58.231 58.000 0.244 0.000 1.277 620 F CB 0.708 39.877 39.000 0.282 0.000 1.632 620 F HN 0.372 nan 8.300 nan 0.000 0.619 621 S N -0.618 115.160 115.700 0.130 0.000 2.541 621 S HA 0.457 4.918 4.470 -0.015 0.000 0.271 621 S C 0.318 174.924 174.600 0.010 0.000 1.133 621 S CA -0.888 57.356 58.200 0.073 0.000 0.876 621 S CB 1.427 64.669 63.200 0.069 0.000 1.105 621 S HN 0.007 nan 8.310 nan 0.000 0.470 622 V N 2.524 122.444 119.914 0.010 0.000 2.252 622 V HA -0.188 3.923 4.120 -0.015 0.000 0.249 622 V C 2.710 178.784 176.094 -0.034 0.000 1.056 622 V CA 2.741 65.032 62.300 -0.015 0.000 1.022 622 V CB -1.319 30.510 31.823 0.010 0.000 0.641 622 V HN 0.960 nan 8.190 nan 0.000 0.445 623 S N -0.654 115.040 115.700 -0.011 0.000 2.370 623 S HA -0.232 4.228 4.470 -0.015 0.000 0.226 623 S C 1.966 176.553 174.600 -0.022 0.000 1.033 623 S CA 1.697 59.890 58.200 -0.011 0.000 1.011 623 S CB -0.286 62.917 63.200 0.006 0.000 0.852 623 S HN 0.615 nan 8.310 nan 0.000 0.457 624 K N 0.425 120.815 120.400 -0.016 0.000 2.103 624 K HA 0.050 4.361 4.320 -0.015 0.000 0.204 624 K C 2.068 178.615 176.600 -0.089 0.000 1.052 624 K CA 0.725 57.012 56.287 -0.000 0.000 0.945 624 K CB -0.241 32.289 32.500 0.051 0.000 0.722 624 K HN 0.179 nan 8.250 nan 0.000 0.443 625 L N 0.808 121.890 121.223 -0.235 0.000 2.072 625 L HA -0.083 4.248 4.340 -0.015 0.000 0.205 625 L C 1.925 178.632 176.870 -0.272 0.000 1.079 625 L CA 1.343 55.866 54.840 -0.528 0.000 0.752 625 L CB -0.197 41.543 42.059 -0.531 0.000 0.906 625 L HN -0.137 nan 8.230 nan 0.000 0.436 626 V N 0.540 120.346 119.914 -0.181 0.000 2.343 626 V HA -0.277 3.834 4.120 -0.015 0.000 0.247 626 V C 2.404 178.411 176.094 -0.144 0.000 1.051 626 V CA 1.880 64.079 62.300 -0.169 0.000 1.036 626 V CB -0.918 30.839 31.823 -0.110 0.000 0.654 626 V HN 0.515 nan 8.190 nan 0.000 0.451 627 N N -0.200 118.457 118.700 -0.072 0.000 2.104 627 N HA -0.186 4.545 4.740 -0.015 0.000 0.190 627 N C 1.652 177.159 175.510 -0.005 0.000 1.024 627 N CA 1.610 54.641 53.050 -0.033 0.000 0.853 627 N CB -0.553 37.940 38.487 0.010 0.000 1.008 627 N HN 0.547 nan 8.380 nan 0.000 0.424 628 F N 1.479 121.349 119.950 -0.133 0.000 2.102 628 F HA -0.041 4.477 4.527 -0.015 0.000 0.298 628 F C 2.098 177.797 175.800 -0.169 0.000 1.105 628 F CA 1.097 59.039 58.000 -0.096 0.000 1.239 628 F CB -0.249 38.712 39.000 -0.065 0.000 0.991 628 F HN -0.070 nan 8.300 nan 0.000 0.474 629 I N 0.102 120.571 120.570 -0.168 0.000 2.315 629 I HA -0.279 3.882 4.170 -0.015 0.000 0.248 629 I C 1.802 177.607 176.117 -0.520 0.000 1.117 629 I CA 1.079 62.119 61.300 -0.433 0.000 1.404 629 I CB -0.359 37.280 38.000 -0.601 0.000 1.071 629 I HN 0.134 nan 8.210 nan 0.000 0.419 630 L N 0.886 121.871 121.223 -0.395 0.000 2.627 630 L HA 0.067 4.398 4.340 -0.015 0.000 0.232 630 L C 0.896 177.659 176.870 -0.179 0.000 1.150 630 L CA 0.062 54.723 54.840 -0.298 0.000 0.917 630 L CB -0.516 41.388 42.059 -0.259 0.000 1.104 630 L HN 0.424 nan 8.230 nan 0.000 0.445 631 S N -0.798 114.766 115.700 -0.227 0.000 3.477 631 S HA -0.208 4.253 4.470 -0.015 0.000 0.371 631 S C -0.018 174.526 174.600 -0.094 0.000 0.965 631 S CA 1.043 59.130 58.200 -0.188 0.000 1.239 631 S CB -2.110 60.992 63.200 -0.164 0.000 0.918 631 S HN 0.771 nan 8.310 nan 0.000 0.498 632 K N 0.000 120.360 120.400 -0.067 0.000 2.780 632 K HA 0.000 4.311 4.320 -0.015 0.000 0.191 632 K CA 0.000 56.271 56.287 -0.026 0.000 0.838 632 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 632 K HN 0.000 nan 8.250 nan 0.000 0.543