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 3l84_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 0.000 175.403 175.510 -0.178 0.000 1.280 2 N CA 0.000 52.959 53.050 -0.152 0.000 0.885 2 N CB 0.000 38.433 38.487 -0.090 0.000 1.341 3 I N 0.727 121.230 120.570 -0.112 0.000 2.315 3 I HA -0.187 3.982 4.170 -0.002 0.000 0.248 3 I C 2.275 178.321 176.117 -0.119 0.000 1.117 3 I CA 1.640 62.875 61.300 -0.107 0.000 1.404 3 I CB -1.323 36.700 38.000 0.040 0.000 1.071 3 I HN 0.581 nan 8.210 nan 0.000 0.419 4 Q N 0.331 120.092 119.800 -0.066 0.000 2.046 4 Q HA -0.142 4.197 4.340 -0.002 0.000 0.200 4 Q C 2.228 178.197 176.000 -0.052 0.000 0.975 4 Q CA 1.317 57.101 55.803 -0.032 0.000 0.836 4 Q CB -0.504 28.226 28.738 -0.012 0.000 0.896 4 Q HN 0.422 nan 8.270 nan 0.000 0.428 5 I N -0.382 120.140 120.570 -0.081 0.000 2.315 5 I HA -0.179 3.990 4.170 -0.002 0.000 0.248 5 I C 1.286 177.327 176.117 -0.126 0.000 1.117 5 I CA 0.996 62.252 61.300 -0.073 0.000 1.404 5 I CB -0.122 37.845 38.000 -0.055 0.000 1.071 5 I HN 0.121 nan 8.210 nan 0.000 0.419 6 L N 0.209 121.271 121.223 -0.269 0.000 2.046 6 L HA -0.205 4.135 4.340 -0.002 0.000 0.208 6 L C 2.546 179.187 176.870 -0.382 0.000 1.077 6 L CA 1.839 56.408 54.840 -0.452 0.000 0.747 6 L CB -1.444 40.042 42.059 -0.955 0.000 0.896 6 L HN 0.422 nan 8.230 nan 0.000 0.432 7 Q N -0.398 119.236 119.800 -0.277 0.000 2.084 7 Q HA -0.252 4.087 4.340 -0.002 0.000 0.202 7 Q C 2.232 178.305 176.000 0.122 0.000 0.978 7 Q CA 1.821 57.647 55.803 0.038 0.000 0.844 7 Q CB -0.036 28.773 28.738 0.119 0.000 0.898 7 Q HN 0.584 nan 8.270 nan 0.000 0.426 8 E N -0.130 120.139 120.200 0.115 0.000 2.077 8 E HA -0.240 4.109 4.350 -0.002 0.000 0.193 8 E C 2.060 178.813 176.600 0.256 0.000 0.989 8 E CA 1.219 57.755 56.400 0.227 0.000 0.800 8 E CB 0.058 29.850 29.700 0.154 0.000 0.746 8 E HN 0.468 nan 8.360 nan 0.000 0.452 9 Q N -0.160 119.725 119.800 0.141 0.000 2.050 9 Q HA -0.177 4.162 4.340 -0.002 0.000 0.202 9 Q C 2.198 178.397 176.000 0.331 0.000 0.980 9 Q CA 1.474 57.408 55.803 0.217 0.000 0.840 9 Q CB -0.173 28.484 28.738 -0.136 0.000 0.898 9 Q HN 0.311 nan 8.270 nan 0.000 0.424 10 A N 1.410 124.353 122.820 0.205 0.000 1.902 10 A HA -0.199 4.120 4.320 -0.002 0.000 0.217 10 A C 1.763 179.366 177.584 0.031 0.000 1.181 10 A CA 1.558 53.699 52.037 0.173 0.000 0.623 10 A CB -0.458 18.677 19.000 0.225 0.000 0.818 10 A HN 0.291 nan 8.150 nan 0.000 0.443 11 N N -0.279 118.421 118.700 -0.001 0.000 2.244 11 N HA -0.085 4.654 4.740 -0.002 0.000 0.183 11 N C 1.681 176.983 175.510 -0.345 0.000 1.016 11 N CA 1.694 54.553 53.050 -0.318 0.000 0.866 11 N CB -0.718 37.662 38.487 -0.177 0.000 0.980 11 N HN 0.495 nan 8.380 nan 0.000 0.430 12 T N 1.858 116.494 114.554 0.136 0.000 2.684 12 T HA -0.040 4.309 4.350 -0.002 0.000 0.267 12 T C 2.147 176.894 174.700 0.079 0.000 1.036 12 T CA 0.773 63.035 62.100 0.269 0.000 1.148 12 T CB -0.289 68.830 68.868 0.418 0.000 0.863 12 T HN 0.138 nan 8.240 nan 0.000 0.436 13 L N 0.320 121.579 121.223 0.060 0.000 2.046 13 L HA -0.109 4.230 4.340 -0.002 0.000 0.208 13 L C 2.933 179.729 176.870 -0.123 0.000 1.077 13 L CA 1.428 56.261 54.840 -0.012 0.000 0.747 13 L CB -0.490 41.599 42.059 0.050 0.000 0.896 13 L HN 0.161 nan 8.230 nan 0.000 0.432 14 R N -0.677 119.655 120.500 -0.281 0.000 2.083 14 R HA -0.166 4.173 4.340 -0.002 0.000 0.237 14 R C 2.206 178.258 176.300 -0.414 0.000 1.137 14 R CA 1.602 57.435 56.100 -0.445 0.000 0.951 14 R CB -0.385 29.428 30.300 -0.812 0.000 0.851 14 R HN 0.230 nan 8.270 nan 0.000 0.434 15 F N 0.413 120.251 119.950 -0.187 0.000 2.416 15 F HA 0.049 4.574 4.527 -0.002 0.000 0.296 15 F C 2.106 177.780 175.800 -0.210 0.000 1.099 15 F CA 0.379 58.249 58.000 -0.217 0.000 1.427 15 F CB -0.527 38.295 39.000 -0.296 0.000 1.079 15 F HN -0.080 nan 8.300 nan 0.000 0.536 16 L N -0.872 120.343 121.223 -0.012 0.000 2.046 16 L HA -0.230 4.109 4.340 -0.002 0.000 0.208 16 L C 2.481 179.258 176.870 -0.155 0.000 1.077 16 L CA 1.414 56.201 54.840 -0.088 0.000 0.747 16 L CB -0.844 41.224 42.059 0.015 0.000 0.896 16 L HN 0.074 nan 8.230 nan 0.000 0.432 17 S N -0.102 115.521 115.700 -0.129 0.000 2.356 17 S HA -0.154 4.315 4.470 -0.002 0.000 0.223 17 S C 2.178 176.686 174.600 -0.154 0.000 1.032 17 S CA 1.207 59.310 58.200 -0.162 0.000 1.005 17 S CB -0.307 62.818 63.200 -0.125 0.000 0.867 17 S HN 0.497 nan 8.310 nan 0.000 0.449 18 A N 1.900 124.659 122.820 -0.102 0.000 1.902 18 A HA -0.067 4.253 4.320 -0.002 0.000 0.217 18 A C 1.049 178.572 177.584 -0.102 0.000 1.181 18 A CA 1.029 53.032 52.037 -0.057 0.000 0.623 18 A CB -0.569 18.452 19.000 0.035 0.000 0.818 18 A HN 0.356 nan 8.150 nan 0.000 0.443 22 Q N 1.536 121.383 119.800 0.079 0.000 2.079 22 Q HA -0.118 4.221 4.340 -0.002 0.000 0.200 22 Q C 1.975 178.036 176.000 0.101 0.000 0.974 22 Q CA 2.521 58.362 55.803 0.063 0.000 0.840 22 Q CB -0.207 28.544 28.738 0.021 0.000 0.898 22 Q HN 0.617 nan 8.270 nan 0.000 0.430 23 K N -0.941 119.553 120.400 0.157 0.000 2.057 23 K HA -0.067 4.252 4.320 -0.002 0.000 0.206 23 K C 1.721 178.415 176.600 0.157 0.000 1.050 23 K CA 1.184 57.583 56.287 0.187 0.000 0.935 23 K CB -0.236 32.449 32.500 0.308 0.000 0.715 23 K HN 0.239 nan 8.250 nan 0.000 0.439 24 A N 1.121 124.061 122.820 0.200 0.000 2.119 24 A HA -0.112 4.207 4.320 -0.002 0.000 0.217 24 A C 0.794 178.427 177.584 0.081 0.000 1.153 24 A CA 1.060 53.184 52.037 0.146 0.000 0.692 24 A CB -0.506 18.616 19.000 0.204 0.000 0.799 24 A HN 0.677 nan 8.150 nan 0.000 0.458 25 N N -1.067 117.683 118.700 0.083 0.000 2.721 25 N HA -0.174 4.565 4.740 -0.002 0.000 0.249 25 N C -0.396 175.128 175.510 0.024 0.000 1.072 25 N CA 1.131 54.208 53.050 0.045 0.000 0.710 25 N CB -1.425 37.079 38.487 0.028 0.000 0.993 25 N HN 0.580 nan 8.380 nan 0.000 0.547 26 S N -1.627 114.097 115.700 0.041 0.000 2.556 26 S HA 0.684 5.153 4.470 -0.002 0.000 0.280 26 S C -0.196 174.428 174.600 0.040 0.000 1.141 26 S CA 0.705 58.901 58.200 -0.007 0.000 0.883 26 S CB 1.059 64.233 63.200 -0.044 0.000 1.103 26 S HN 1.347 nan 8.310 nan 0.000 0.453 27 G N 2.930 111.693 108.800 -0.062 0.000 2.318 27 G HA2 0.174 4.133 3.960 -0.002 0.000 0.367 27 G HA3 0.174 4.133 3.960 -0.002 0.000 0.367 27 G C -1.876 172.898 174.900 -0.210 0.000 1.260 27 G CA -0.683 44.422 45.100 0.009 0.000 1.055 27 G HN 1.022 nan 8.290 nan 0.000 0.484 28 H N 1.282 120.396 119.070 0.074 0.000 2.953 28 H HA 0.511 5.066 4.556 -0.002 0.000 0.290 28 H C -1.731 173.596 175.328 -0.001 0.000 1.113 28 H CA -1.111 54.914 56.048 -0.037 0.000 1.454 28 H CB 2.175 31.898 29.762 -0.066 0.000 1.525 28 H HN 0.350 nan 8.280 nan 0.000 0.505 29 P HA 0.055 nan 4.420 nan 0.000 0.238 29 P C 1.573 178.897 177.300 0.040 0.000 1.183 29 P CA 0.528 63.649 63.100 0.036 0.000 0.813 29 P CB 0.680 32.386 31.700 0.010 0.000 0.944 30 G N 1.249 110.087 108.800 0.063 0.000 2.404 30 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.215 30 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.215 30 G C 1.765 176.720 174.900 0.091 0.000 1.174 30 G CA 1.069 46.214 45.100 0.074 0.000 0.780 30 G HN 0.309 nan 8.290 nan 0.000 0.537 31 A N 1.565 124.473 122.820 0.147 0.000 1.902 31 A HA 0.095 4.414 4.320 -0.002 0.000 0.217 31 A C 0.753 178.374 177.584 0.060 0.000 1.181 31 A CA 1.890 54.008 52.037 0.134 0.000 0.623 31 A CB -1.158 17.988 19.000 0.243 0.000 0.818 31 A HN 0.362 nan 8.150 nan 0.000 0.443 32 P HA -0.161 nan 4.420 nan 0.000 0.215 32 P C 1.307 178.598 177.300 -0.015 0.000 1.157 32 P CA 0.939 64.047 63.100 0.013 0.000 0.874 32 P CB -0.068 31.626 31.700 -0.009 0.000 0.790 33 L N -1.082 120.127 121.223 -0.023 0.000 2.093 33 L HA -0.024 4.315 4.340 -0.002 0.000 0.208 33 L C 2.512 179.381 176.870 -0.001 0.000 1.085 33 L CA 2.139 56.947 54.840 -0.054 0.000 0.755 33 L CB -1.829 40.189 42.059 -0.068 0.000 0.904 33 L HN 0.006 nan 8.230 nan 0.000 0.435 34 G N -1.326 107.499 108.800 0.040 0.000 2.443 34 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.219 34 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.219 34 G C 1.487 176.428 174.900 0.068 0.000 1.131 34 G CA 0.398 45.562 45.100 0.107 0.000 0.775 34 G HN 0.357 nan 8.290 nan 0.000 0.547 35 L N 0.271 121.494 121.223 -0.000 0.000 2.640 35 L HA 0.314 4.653 4.340 -0.002 0.000 0.230 35 L C 2.887 179.738 176.870 -0.032 0.000 1.123 35 L CA 0.299 55.101 54.840 -0.062 0.000 0.900 35 L CB 0.271 42.260 42.059 -0.117 0.000 1.146 35 L HN 0.230 nan 8.230 nan 0.000 0.484 36 A N 0.160 122.988 122.820 0.012 0.000 1.969 36 A HA -0.183 4.136 4.320 -0.002 0.000 0.218 36 A C 1.822 179.467 177.584 0.103 0.000 1.169 36 A CA 1.611 53.670 52.037 0.037 0.000 0.635 36 A CB -0.220 18.779 19.000 -0.002 0.000 0.810 36 A HN 0.317 nan 8.150 nan 0.000 0.445 37 D N 0.133 120.608 120.400 0.124 0.000 2.123 37 D HA -0.088 4.551 4.640 -0.002 0.000 0.200 37 D C 1.898 178.288 176.300 0.150 0.000 0.976 37 D CA 1.101 55.232 54.000 0.218 0.000 0.831 37 D CB -0.333 40.517 40.800 0.082 0.000 0.974 37 D HN 0.512 nan 8.370 nan 0.000 0.469 38 I N 0.657 121.232 120.570 0.008 0.000 2.163 38 I HA -0.262 3.907 4.170 -0.002 0.000 0.243 38 I C 2.411 178.503 176.117 -0.040 0.000 1.085 38 I CA 0.653 61.923 61.300 -0.049 0.000 1.347 38 I CB -0.144 37.773 38.000 -0.138 0.000 1.044 38 I HN -0.012 nan 8.210 nan 0.000 0.408 39 L N 0.758 121.948 121.223 -0.055 0.000 2.083 39 L HA -0.199 4.140 4.340 -0.002 0.000 0.209 39 L C 2.804 179.690 176.870 0.027 0.000 1.083 39 L CA 2.167 56.946 54.840 -0.103 0.000 0.752 39 L CB -0.722 41.259 42.059 -0.130 0.000 0.899 39 L HN 0.403 nan 8.230 nan 0.000 0.433 40 S N -1.663 114.134 115.700 0.162 0.000 2.359 40 S HA -0.192 4.277 4.470 -0.002 0.000 0.224 40 S C 1.921 176.685 174.600 0.272 0.000 1.035 40 S CA 1.661 60.016 58.200 0.258 0.000 1.018 40 S CB -1.248 62.094 63.200 0.236 0.000 0.876 40 S HN 0.241 nan 8.310 nan 0.000 0.448 41 V N 1.841 121.890 119.914 0.224 0.000 2.358 41 V HA -0.057 4.062 4.120 -0.002 0.000 0.246 41 V C 2.533 178.809 176.094 0.303 0.000 1.047 41 V CA 1.608 64.057 62.300 0.248 0.000 1.035 41 V CB -0.993 30.933 31.823 0.172 0.000 0.658 41 V HN 0.472 nan 8.190 nan 0.000 0.452 42 L N 1.444 122.730 121.223 0.105 0.000 2.127 42 L HA -0.169 4.170 4.340 -0.002 0.000 0.211 42 L C 2.701 179.600 176.870 0.049 0.000 1.089 42 L CA 2.358 57.182 54.840 -0.026 0.000 0.757 42 L CB -0.791 41.107 42.059 -0.268 0.000 0.899 42 L HN 0.532 nan 8.230 nan 0.000 0.434 43 S N -1.858 113.903 115.700 0.103 0.000 2.419 43 S HA -0.262 4.207 4.470 -0.002 0.000 0.235 43 S C 1.916 176.573 174.600 0.094 0.000 1.019 43 S CA 1.372 59.682 58.200 0.183 0.000 0.982 43 S CB -1.039 62.376 63.200 0.358 0.000 0.789 43 S HN 0.600 nan 8.310 nan 0.000 0.490 44 Y N 0.709 121.067 120.300 0.097 0.000 2.519 44 Y HA 0.156 4.704 4.550 -0.002 0.000 0.287 44 Y C 2.699 178.539 175.900 -0.100 0.000 1.128 44 Y CA 1.040 59.132 58.100 -0.014 0.000 1.282 44 Y CB -0.121 38.276 38.460 -0.104 0.000 1.027 44 Y HN 0.457 nan 8.280 nan 0.000 0.551 45 H N -1.518 117.648 119.070 0.160 0.000 2.516 45 H HA 0.104 4.659 4.556 -0.001 0.000 0.284 45 H C 0.401 175.809 175.328 0.132 0.000 0.999 45 H CA -0.034 56.087 56.048 0.122 0.000 1.303 45 H CB 0.259 30.052 29.762 0.051 0.000 1.452 45 H HN 0.077 nan 8.280 nan 0.000 0.530 46 L N 2.869 124.205 121.223 0.189 0.000 2.462 46 L HA 0.054 4.393 4.340 -0.002 0.000 0.272 46 L C 0.006 177.095 176.870 0.365 0.000 1.166 46 L CA 0.360 55.312 54.840 0.186 0.000 0.880 46 L CB 0.328 42.387 42.059 -0.000 0.000 1.142 46 L HN -0.089 nan 8.230 nan 0.000 0.473 47 K N 5.792 126.412 120.400 0.367 0.000 2.263 47 K HA 0.463 4.782 4.320 -0.002 0.000 0.272 47 K C -1.106 175.792 176.600 0.498 0.000 1.033 47 K CA -0.579 55.957 56.287 0.414 0.000 0.884 47 K CB 0.817 33.515 32.500 0.330 0.000 1.107 47 K HN 0.736 nan 8.250 nan 0.000 0.460 48 H N 0.284 119.559 119.070 0.343 0.000 3.060 48 H HA 0.237 4.792 4.556 -0.001 0.000 0.330 48 H C -1.807 173.668 175.328 0.246 0.000 1.305 48 H CA -1.078 55.174 56.048 0.341 0.000 1.209 48 H CB 1.070 30.998 29.762 0.276 0.000 1.913 48 H HN 0.376 nan 8.280 nan 0.000 0.534 49 N N 2.300 121.099 118.700 0.165 0.000 2.626 49 N HA 0.301 5.040 4.740 -0.002 0.000 0.242 49 N C -2.122 173.202 175.510 -0.311 0.000 1.005 49 N CA -2.414 50.547 53.050 -0.148 0.000 0.905 49 N CB 1.481 39.880 38.487 -0.146 0.000 1.128 49 N HN 0.263 nan 8.380 nan 0.000 0.512 50 P HA -0.116 nan 4.420 nan 0.000 0.218 50 P C 0.600 177.503 177.300 -0.663 0.000 1.146 50 P CA 1.207 63.600 63.100 -1.179 0.000 0.813 50 P CB 0.429 31.550 31.700 -0.965 0.000 0.778 51 K N -1.795 118.384 120.400 -0.368 0.000 2.404 51 K HA 0.105 4.424 4.320 -0.002 0.000 0.194 51 K C 0.443 176.962 176.600 -0.136 0.000 1.023 51 K CA 0.326 56.484 56.287 -0.215 0.000 1.094 51 K CB -0.286 32.109 32.500 -0.175 0.000 0.841 51 K HN 0.094 nan 8.250 nan 0.000 0.523 52 N N 0.690 119.317 118.700 -0.122 0.000 2.707 52 N HA 0.193 4.933 4.740 -0.002 0.000 0.249 52 N C -2.601 172.935 175.510 0.044 0.000 1.299 52 N CA -1.658 51.375 53.050 -0.028 0.000 0.769 52 N CB 1.368 39.840 38.487 -0.025 0.000 1.236 52 N HN -0.242 nan 8.380 nan 0.000 0.524 53 P HA -0.000 nan 4.420 nan 0.000 0.239 53 P C 0.814 178.161 177.300 0.077 0.000 1.184 53 P CA 0.992 64.180 63.100 0.146 0.000 0.760 53 P CB 0.173 32.000 31.700 0.211 0.000 0.884 54 T N -6.771 107.816 114.554 0.056 0.000 3.086 54 T HA 0.025 4.374 4.350 -0.002 0.000 0.250 54 T C 0.173 174.873 174.700 0.000 0.000 1.074 54 T CA -0.632 61.473 62.100 0.009 0.000 0.988 54 T CB -0.728 68.154 68.868 0.024 0.000 0.988 54 T HN -0.047 nan 8.240 nan 0.000 0.530 55 W N 2.465 123.657 121.300 -0.180 0.000 2.520 55 W HA 0.260 4.920 4.660 -0.001 0.000 0.337 55 W C 0.893 177.149 176.519 -0.440 0.000 1.406 55 W CA -2.174 54.997 57.345 -0.290 0.000 1.318 55 W CB -0.127 29.175 29.460 -0.264 0.000 1.338 55 W HN 0.172 nan 8.180 nan 0.000 0.570 56 L N 5.459 126.335 121.223 -0.579 0.000 2.131 56 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 56 L C 1.682 177.933 176.870 -1.032 0.000 1.092 56 L CA 2.071 56.495 54.840 -0.692 0.000 0.759 56 L CB -0.710 41.126 42.059 -0.371 0.000 0.903 56 L HN 0.632 nan 8.230 nan 0.000 0.435 57 N N -0.263 117.423 118.700 -1.689 0.000 2.251 57 N HA 0.029 4.768 4.740 -0.002 0.000 0.217 57 N C 0.004 174.467 175.510 -1.744 0.000 1.124 57 N CA -0.254 51.949 53.050 -1.412 0.000 0.843 57 N CB 0.011 37.820 38.487 -1.131 0.000 1.024 57 N HN 0.358 nan 8.380 nan 0.000 0.501 58 R N -0.281 119.091 120.500 -1.880 0.000 2.679 58 R HA 0.104 4.443 4.340 -0.002 0.000 0.268 58 R C -0.798 175.060 176.300 -0.737 0.000 1.044 58 R CA -0.232 55.169 56.100 -1.165 0.000 1.105 58 R CB 0.253 30.221 30.300 -0.554 0.000 0.989 58 R HN 0.008 nan 8.270 nan 0.000 0.447 59 D N 1.789 122.024 120.400 -0.275 0.000 2.443 59 D HA 0.047 4.686 4.640 -0.002 0.000 0.239 59 D C -0.120 176.105 176.300 -0.125 0.000 1.136 59 D CA 0.331 54.301 54.000 -0.050 0.000 0.879 59 D CB 0.599 41.529 40.800 0.217 0.000 1.195 59 D HN 0.282 nan 8.370 nan 0.000 0.443 60 R N 1.857 122.298 120.500 -0.098 0.000 2.255 60 R HA 0.383 4.722 4.340 -0.002 0.000 0.326 60 R C -0.492 175.814 176.300 0.010 0.000 0.986 60 R CA -1.003 54.976 56.100 -0.202 0.000 0.847 60 R CB 0.764 30.782 30.300 -0.471 0.000 1.111 60 R HN 0.280 nan 8.270 nan 0.000 0.452 61 L N 3.447 124.690 121.223 0.034 0.000 2.296 61 L HA 0.443 4.782 4.340 -0.002 0.000 0.286 61 L C -0.959 176.012 176.870 0.169 0.000 1.023 61 L CA -0.588 54.338 54.840 0.144 0.000 0.812 61 L CB 1.839 43.972 42.059 0.122 0.000 1.223 61 L HN 0.305 nan 8.230 nan 0.000 0.421 62 V N 5.861 125.918 119.914 0.240 0.000 2.444 62 V HA 0.379 4.498 4.120 -0.002 0.000 0.294 62 V C -0.669 175.609 176.094 0.307 0.000 1.022 62 V CA -0.398 62.073 62.300 0.286 0.000 0.850 62 V CB 1.342 33.350 31.823 0.308 0.000 0.992 62 V HN 0.492 nan 8.190 nan 0.000 0.426 63 F N 2.986 122.953 119.950 0.029 0.000 2.423 63 F HA 0.271 4.797 4.527 -0.002 0.000 0.356 63 F C 1.643 177.445 175.800 0.002 0.000 1.170 63 F CA 0.112 58.099 58.000 -0.021 0.000 1.163 63 F CB 1.413 40.361 39.000 -0.087 0.000 1.318 63 F HN 0.565 nan 8.300 nan 0.000 0.569 64 S N 2.748 118.523 115.700 0.124 0.000 2.402 64 S HA -0.039 4.430 4.470 -0.002 0.000 0.229 64 S C 1.567 176.220 174.600 0.088 0.000 1.021 64 S CA 0.931 59.198 58.200 0.111 0.000 0.974 64 S CB -0.381 62.875 63.200 0.093 0.000 0.800 64 S HN 0.703 nan 8.310 nan 0.000 0.484 65 G N 0.270 109.081 108.800 0.018 0.000 2.741 65 G HA2 0.447 4.406 3.960 -0.002 0.000 0.301 65 G HA3 0.447 4.406 3.960 -0.002 0.000 0.301 65 G C 0.881 175.639 174.900 -0.236 0.000 0.834 65 G CA -0.047 44.986 45.100 -0.112 0.000 1.683 65 G HN 0.423 nan 8.290 nan 0.000 0.506 66 G N 1.599 110.419 108.800 0.034 0.000 2.498 66 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.219 66 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.219 66 G C 1.357 176.231 174.900 -0.042 0.000 1.119 66 G CA 1.126 46.288 45.100 0.103 0.000 0.766 66 G HN 0.884 nan 8.290 nan 0.000 0.552 67 H N -0.424 118.639 119.070 -0.011 0.000 2.457 67 H HA 0.226 4.781 4.556 -0.002 0.000 0.297 67 H C 2.098 177.272 175.328 -0.256 0.000 1.092 67 H CA 0.950 56.729 56.048 -0.448 0.000 1.309 67 H CB -0.365 28.960 29.762 -0.728 0.000 1.382 67 H HN 0.249 nan 8.280 nan 0.000 0.535 68 A N 1.217 123.797 122.820 -0.399 0.000 2.310 68 A HA 0.095 4.414 4.320 -0.002 0.000 0.230 68 A C 2.212 179.727 177.584 -0.115 0.000 1.294 68 A CA 0.368 52.336 52.037 -0.114 0.000 0.898 68 A CB -0.834 18.137 19.000 -0.048 0.000 0.917 68 A HN 0.659 nan 8.150 nan 0.000 0.491 69 S N 0.207 115.758 115.700 -0.248 0.000 2.392 69 S HA -0.231 4.238 4.470 -0.002 0.000 0.232 69 S C 2.002 176.199 174.600 -0.672 0.000 1.041 69 S CA 1.428 59.291 58.200 -0.561 0.000 1.026 69 S CB -0.660 62.291 63.200 -0.416 0.000 0.845 69 S HN 0.962 nan 8.310 nan 0.000 0.465 70 A N 1.570 124.182 122.820 -0.346 0.000 1.933 70 A HA 0.070 4.389 4.320 -0.002 0.000 0.218 70 A C 2.225 179.659 177.584 -0.250 0.000 1.175 70 A CA 1.556 53.336 52.037 -0.428 0.000 0.628 70 A CB -0.782 17.895 19.000 -0.538 0.000 0.814 70 A HN 0.533 nan 8.150 nan 0.000 0.444 71 L N -0.875 120.247 121.223 -0.168 0.000 2.056 71 L HA -0.067 4.272 4.340 -0.002 0.000 0.207 71 L C 2.227 179.044 176.870 -0.088 0.000 1.078 71 L CA 1.870 56.684 54.840 -0.044 0.000 0.749 71 L CB -0.569 41.556 42.059 0.111 0.000 0.901 71 L HN 0.349 nan 8.230 nan 0.000 0.433 72 L N -1.245 119.726 121.223 -0.420 0.000 2.012 72 L HA -0.244 4.095 4.340 -0.002 0.000 0.210 72 L C 2.337 179.077 176.870 -0.217 0.000 1.073 72 L CA 1.929 56.375 54.840 -0.656 0.000 0.748 72 L CB -1.003 40.267 42.059 -1.315 0.000 0.891 72 L HN 0.301 nan 8.230 nan 0.000 0.431 73 Y N -0.321 119.868 120.300 -0.185 0.000 2.224 73 Y HA -0.142 4.407 4.550 -0.002 0.000 0.289 73 Y C 2.848 178.713 175.900 -0.060 0.000 1.146 73 Y CA 0.999 59.033 58.100 -0.109 0.000 1.182 73 Y CB -1.422 36.988 38.460 -0.084 0.000 0.983 73 Y HN 0.216 nan 8.280 nan 0.000 0.524 74 S N 0.087 115.840 115.700 0.088 0.000 2.359 74 S HA -0.214 4.255 4.470 -0.002 0.000 0.224 74 S C 1.889 176.497 174.600 0.013 0.000 1.035 74 S CA 1.483 59.716 58.200 0.054 0.000 1.018 74 S CB -0.811 62.391 63.200 0.004 0.000 0.876 74 S HN 0.474 nan 8.310 nan 0.000 0.448 75 F N 2.335 122.203 119.950 -0.136 0.000 2.134 75 F HA -0.023 4.502 4.527 -0.002 0.000 0.299 75 F C 1.775 177.517 175.800 -0.098 0.000 1.097 75 F CA 1.098 58.988 58.000 -0.184 0.000 1.264 75 F CB -0.482 38.457 39.000 -0.102 0.000 1.001 75 F HN 0.091 nan 8.300 nan 0.000 0.479 76 L N -0.527 120.564 121.223 -0.221 0.000 2.046 76 L HA -0.260 4.079 4.340 -0.002 0.000 0.208 76 L C 2.770 179.603 176.870 -0.063 0.000 1.077 76 L CA 1.795 56.460 54.840 -0.292 0.000 0.747 76 L CB -1.235 40.660 42.059 -0.272 0.000 0.896 76 L HN 0.315 nan 8.230 nan 0.000 0.432 77 H N 0.792 119.808 119.070 -0.090 0.000 2.321 77 H HA -0.164 4.391 4.556 -0.001 0.000 0.300 77 H C 2.329 177.603 175.328 -0.091 0.000 1.087 77 H CA 1.773 57.789 56.048 -0.053 0.000 1.319 77 H CB 0.095 29.837 29.762 -0.034 0.000 1.379 77 H HN 0.255 nan 8.280 nan 0.000 0.501 78 L N 0.270 121.302 121.223 -0.319 0.000 2.131 78 L HA -0.131 4.208 4.340 -0.002 0.000 0.210 78 L C 2.602 179.303 176.870 -0.281 0.000 1.092 78 L CA 1.165 55.774 54.840 -0.385 0.000 0.759 78 L CB -0.192 41.501 42.059 -0.609 0.000 0.903 78 L HN 0.178 nan 8.230 nan 0.000 0.435 79 S N -0.700 114.814 115.700 -0.308 0.000 2.562 79 S HA 0.125 4.594 4.470 -0.002 0.000 0.221 79 S C 1.393 175.905 174.600 -0.147 0.000 0.975 79 S CA 0.762 58.851 58.200 -0.185 0.000 0.918 79 S CB 0.365 63.406 63.200 -0.266 0.000 0.772 79 S HN 0.659 nan 8.310 nan 0.000 0.531 80 G N 0.175 108.885 108.800 -0.150 0.000 2.148 80 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.203 80 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.203 80 G C -0.061 174.749 174.900 -0.150 0.000 0.993 80 G CA -0.491 44.507 45.100 -0.170 0.000 0.661 80 G HN 0.426 nan 8.290 nan 0.000 0.518 81 Y N 0.404 120.627 120.300 -0.129 0.000 2.258 81 Y HA 0.412 4.961 4.550 -0.001 0.000 0.345 81 Y C 1.132 177.008 175.900 -0.040 0.000 1.303 81 Y CA 0.307 58.367 58.100 -0.067 0.000 1.537 81 Y CB 0.434 38.866 38.460 -0.046 0.000 1.383 81 Y HN 0.076 nan 8.280 nan 0.000 0.606 82 D N 1.626 122.118 120.400 0.154 0.000 2.688 82 D HA 0.217 4.856 4.640 -0.002 0.000 0.228 82 D C -1.706 174.646 176.300 0.086 0.000 1.116 82 D CA 0.172 54.223 54.000 0.084 0.000 1.023 82 D CB -0.894 39.941 40.800 0.058 0.000 1.100 82 D HN 0.279 nan 8.370 nan 0.000 0.487 83 L N 1.957 123.246 121.223 0.109 0.000 2.528 83 L HA 0.361 4.700 4.340 -0.002 0.000 0.267 83 L C -0.365 176.609 176.870 0.173 0.000 0.961 83 L CA -0.462 54.427 54.840 0.082 0.000 0.866 83 L CB 1.568 43.664 42.059 0.061 0.000 1.248 83 L HN 0.151 nan 8.230 nan 0.000 0.404 84 S N 3.303 119.040 115.700 0.062 0.000 2.693 84 S HA 0.392 4.861 4.470 -0.002 0.000 0.276 84 S C 0.961 175.396 174.600 -0.275 0.000 1.192 84 S CA -0.574 57.648 58.200 0.037 0.000 0.994 84 S CB 1.177 64.376 63.200 -0.001 0.000 1.012 84 S HN 0.673 nan 8.310 nan 0.000 0.550 85 L N 0.759 121.747 121.223 -0.391 0.000 2.046 85 L HA 0.013 4.352 4.340 -0.002 0.000 0.208 85 L C 2.565 179.245 176.870 -0.317 0.000 1.077 85 L CA 2.135 56.690 54.840 -0.474 0.000 0.747 85 L CB -1.076 40.829 42.059 -0.256 0.000 0.896 85 L HN 0.955 nan 8.230 nan 0.000 0.432 86 E N -0.224 119.849 120.200 -0.211 0.000 2.085 86 E HA -0.230 4.119 4.350 -0.002 0.000 0.194 86 E C 1.837 178.337 176.600 -0.168 0.000 0.994 86 E CA 1.589 57.877 56.400 -0.186 0.000 0.801 86 E CB -0.230 29.401 29.700 -0.114 0.000 0.743 86 E HN 0.521 nan 8.360 nan 0.000 0.453 87 D N -0.115 120.200 120.400 -0.143 0.000 2.123 87 D HA -0.163 4.476 4.640 -0.002 0.000 0.196 87 D C 2.031 178.263 176.300 -0.114 0.000 0.992 87 D CA 0.955 54.883 54.000 -0.120 0.000 0.833 87 D CB -0.214 40.515 40.800 -0.119 0.000 0.954 87 D HN 0.285 nan 8.370 nan 0.000 0.455 88 L N 0.453 121.587 121.223 -0.147 0.000 2.083 88 L HA -0.143 4.196 4.340 -0.002 0.000 0.209 88 L C 2.169 179.032 176.870 -0.011 0.000 1.083 88 L CA 1.094 55.904 54.840 -0.050 0.000 0.752 88 L CB -0.390 41.653 42.059 -0.027 0.000 0.899 88 L HN -0.048 nan 8.230 nan 0.000 0.433 89 K N 0.032 120.280 120.400 -0.253 0.000 2.504 89 K HA -0.032 4.287 4.320 -0.002 0.000 0.195 89 K C 0.814 177.376 176.600 -0.063 0.000 1.036 89 K CA 0.460 56.561 56.287 -0.310 0.000 0.984 89 K CB -0.025 32.165 32.500 -0.518 0.000 0.788 89 K HN 0.342 nan 8.250 nan 0.000 0.488 90 N N 0.521 119.216 118.700 -0.010 0.000 2.275 90 N HA 0.015 4.754 4.740 -0.002 0.000 0.236 90 N C -0.602 174.969 175.510 0.101 0.000 1.154 90 N CA -0.219 52.847 53.050 0.027 0.000 0.866 90 N CB 0.322 38.799 38.487 -0.018 0.000 1.093 90 N HN 0.027 nan 8.380 nan 0.000 0.515 91 F N 2.521 122.474 119.950 0.004 0.000 2.623 91 F HA -0.092 4.434 4.527 -0.001 0.000 0.386 91 F C 1.372 177.200 175.800 0.047 0.000 1.068 91 F CA 0.704 58.732 58.000 0.047 0.000 1.265 91 F CB 0.234 39.306 39.000 0.119 0.000 1.026 91 F HN 0.185 nan 8.300 nan 0.000 0.568 92 R N 0.951 121.212 120.500 -0.398 0.000 3.989 92 R HA -0.210 4.129 4.340 -0.002 0.000 0.377 92 R C -0.548 175.646 176.300 -0.178 0.000 1.158 92 R CA 0.850 56.700 56.100 -0.416 0.000 1.035 92 R CB -1.351 28.580 30.300 -0.616 0.000 1.557 92 R HN 0.599 nan 8.270 nan 0.000 0.551 93 Q N 0.619 120.358 119.800 -0.102 0.000 2.222 93 Q HA 0.290 4.629 4.340 -0.002 0.000 0.252 93 Q C -0.049 175.894 176.000 -0.096 0.000 0.926 93 Q CA -1.066 54.691 55.803 -0.076 0.000 0.899 93 Q CB 1.054 29.769 28.738 -0.039 0.000 1.250 93 Q HN 0.125 nan 8.270 nan 0.000 0.441 94 L N 3.169 124.306 121.223 -0.144 0.000 2.601 94 L HA -0.095 4.244 4.340 -0.002 0.000 0.277 94 L C 0.132 176.864 176.870 -0.231 0.000 1.219 94 L CA 1.289 55.956 54.840 -0.288 0.000 0.915 94 L CB -0.611 41.207 42.059 -0.402 0.000 1.160 94 L HN 0.765 nan 8.230 nan 0.000 0.494 95 H N 0.585 119.649 119.070 -0.011 0.000 3.080 95 H HA -0.181 4.374 4.556 -0.002 0.000 0.254 95 H C 0.708 176.025 175.328 -0.018 0.000 1.179 95 H CA 0.566 56.608 56.048 -0.010 0.000 1.144 95 H CB -1.632 28.126 29.762 -0.007 0.000 1.261 95 H HN 0.795 nan 8.280 nan 0.000 0.333 96 S N 0.474 116.204 115.700 0.049 0.000 2.624 96 S HA 0.241 4.710 4.470 -0.002 0.000 0.263 96 S C 1.158 175.750 174.600 -0.013 0.000 1.287 96 S CA -0.459 57.745 58.200 0.007 0.000 0.990 96 S CB 1.707 64.896 63.200 -0.019 0.000 0.950 96 S HN 0.389 nan 8.310 nan 0.000 0.561 97 K N 0.311 120.677 120.400 -0.056 0.000 2.487 97 K HA 0.078 4.397 4.320 -0.002 0.000 0.192 97 K C 0.255 176.709 176.600 -0.242 0.000 1.027 97 K CA 0.618 56.845 56.287 -0.101 0.000 1.054 97 K CB -0.097 32.347 32.500 -0.094 0.000 0.824 97 K HN 0.824 nan 8.250 nan 0.000 0.510 98 T N -0.061 114.349 114.554 -0.239 0.000 3.514 98 T HA 0.250 4.599 4.350 -0.002 0.000 0.259 98 T C -2.652 172.056 174.700 0.013 0.000 1.466 98 T CA -2.051 59.795 62.100 -0.422 0.000 1.562 98 T CB 0.661 69.350 68.868 -0.297 0.000 0.924 98 T HN -0.151 nan 8.240 nan 0.000 0.678 99 P HA 0.196 nan 4.420 nan 0.000 0.272 99 P C 1.361 178.734 177.300 0.120 0.000 1.240 99 P CA -0.093 63.050 63.100 0.073 0.000 0.791 99 P CB 0.593 32.356 31.700 0.105 0.000 0.978 100 G N -0.045 108.719 108.800 -0.060 0.000 2.450 100 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.220 100 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.220 100 G C 0.577 175.351 174.900 -0.210 0.000 1.130 100 G CA 0.754 45.747 45.100 -0.179 0.000 0.760 100 G HN 0.613 nan 8.290 nan 0.000 0.557 101 H N -0.159 118.968 119.070 0.094 0.000 2.622 101 H HA 0.317 4.872 4.556 -0.002 0.000 0.363 101 H C -2.515 172.881 175.328 0.113 0.000 1.151 101 H CA -1.842 54.252 56.048 0.078 0.000 1.184 101 H CB 2.166 31.964 29.762 0.061 0.000 1.643 101 H HN -0.039 nan 8.280 nan 0.000 0.531 102 P HA 0.128 nan 4.420 nan 0.000 0.275 102 P C -0.607 176.796 177.300 0.172 0.000 1.227 102 P CA -0.012 63.192 63.100 0.173 0.000 0.781 102 P CB 1.088 32.807 31.700 0.032 0.000 0.906 103 E N 1.225 121.531 120.200 0.176 0.000 2.266 103 E HA 0.245 4.594 4.350 -0.002 0.000 0.268 103 E C 0.875 177.546 176.600 0.119 0.000 0.879 103 E CA -0.659 55.822 56.400 0.135 0.000 0.762 103 E CB 1.781 31.554 29.700 0.121 0.000 1.199 103 E HN 0.405 nan 8.360 nan 0.000 0.422 104 I N -0.688 119.947 120.570 0.109 0.000 3.001 104 I HA -0.149 4.020 4.170 -0.002 0.000 0.268 104 I C 1.739 177.907 176.117 0.085 0.000 1.267 104 I CA 0.834 62.194 61.300 0.100 0.000 1.472 104 I CB -0.187 37.879 38.000 0.110 0.000 1.089 104 I HN 0.286 nan 8.210 nan 0.000 0.468 105 S N 0.056 115.803 115.700 0.078 0.000 2.474 105 S HA -0.046 4.423 4.470 -0.002 0.000 0.235 105 S C 1.058 175.690 174.600 0.053 0.000 0.997 105 S CA 0.623 58.860 58.200 0.063 0.000 0.949 105 S CB -1.216 62.018 63.200 0.057 0.000 0.766 105 S HN 0.519 nan 8.310 nan 0.000 0.517 106 T N 4.454 119.042 114.554 0.057 0.000 2.727 106 T HA 0.318 4.667 4.350 -0.002 0.000 0.295 106 T C 0.097 174.830 174.700 0.055 0.000 0.915 106 T CA -0.486 61.638 62.100 0.040 0.000 1.066 106 T CB 0.363 69.252 68.868 0.036 0.000 0.891 106 T HN 0.213 nan 8.240 nan 0.000 0.516 107 L N 3.342 124.602 121.223 0.062 0.000 2.540 107 L HA 0.201 4.540 4.340 -0.002 0.000 0.276 107 L C 1.617 178.544 176.870 0.095 0.000 1.212 107 L CA 1.320 56.218 54.840 0.097 0.000 0.893 107 L CB -0.046 42.087 42.059 0.123 0.000 1.138 107 L HN 1.095 nan 8.230 nan 0.000 0.491 108 G N 3.148 112.005 108.800 0.095 0.000 2.232 108 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.226 108 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.226 108 G C 0.103 174.949 174.900 -0.090 0.000 0.996 108 G CA -0.099 44.963 45.100 -0.063 0.000 0.626 108 G HN 0.403 nan 8.290 nan 0.000 0.509 109 V N 2.462 122.368 119.914 -0.014 0.000 2.455 109 V HA 0.299 4.418 4.120 -0.002 0.000 0.273 109 V C 1.491 177.614 176.094 0.048 0.000 1.045 109 V CA 0.062 62.369 62.300 0.012 0.000 0.976 109 V CB 1.518 33.379 31.823 0.063 0.000 0.993 109 V HN 0.328 nan 8.190 nan 0.000 0.475 110 E N 3.643 123.871 120.200 0.047 0.000 2.107 110 E HA 0.110 4.459 4.350 -0.002 0.000 0.191 110 E C 0.345 177.075 176.600 0.217 0.000 0.982 110 E CA 1.001 57.437 56.400 0.061 0.000 0.809 110 E CB 0.620 30.285 29.700 -0.060 0.000 0.756 110 E HN 0.652 nan 8.360 nan 0.000 0.459 111 I N -1.012 119.694 120.570 0.227 0.000 2.828 111 I HA 0.298 4.467 4.170 -0.002 0.000 0.295 111 I C -1.610 174.613 176.117 0.178 0.000 1.459 111 I CA -0.735 60.713 61.300 0.247 0.000 1.015 111 I CB 1.813 40.019 38.000 0.343 0.000 1.345 111 I HN -0.121 nan 8.210 nan 0.000 0.449 112 A N 4.071 126.983 122.820 0.153 0.000 2.488 112 A HA 0.619 4.938 4.320 -0.002 0.000 0.249 112 A C 0.022 177.684 177.584 0.131 0.000 1.083 112 A CA 0.648 52.766 52.037 0.135 0.000 0.768 112 A CB -0.132 18.941 19.000 0.121 0.000 1.017 112 A HN 0.735 nan 8.150 nan 0.000 0.496 113 T N -0.781 113.852 114.554 0.131 0.000 2.865 113 T HA 0.870 5.219 4.350 -0.002 0.000 0.294 113 T C 0.436 175.211 174.700 0.125 0.000 1.119 113 T CA 0.138 62.313 62.100 0.125 0.000 1.007 113 T CB 1.821 70.774 68.868 0.141 0.000 1.225 113 T HN 1.990 nan 8.240 nan 0.000 0.515 114 G N 0.364 109.220 108.800 0.094 0.000 4.399 114 G HA2 0.182 4.141 3.960 -0.002 0.000 0.158 114 G HA3 0.182 4.141 3.960 -0.002 0.000 0.158 114 G C -2.655 172.230 174.900 -0.025 0.000 1.911 114 G CA -0.440 44.653 45.100 -0.012 0.000 0.926 114 G HN 0.840 nan 8.290 nan 0.000 0.292 115 P HA 0.455 nan 4.420 nan 0.000 0.266 115 P C 0.219 177.550 177.300 0.052 0.000 1.215 115 P CA 0.000 63.108 63.100 0.013 0.000 0.763 115 P CB 0.609 32.325 31.700 0.028 0.000 0.806 116 L N 2.371 123.631 121.223 0.062 0.000 2.461 116 L HA 0.226 4.565 4.340 -0.002 0.000 0.272 116 L C 1.872 178.770 176.870 0.046 0.000 1.197 116 L CA 1.036 55.918 54.840 0.071 0.000 0.836 116 L CB -0.374 41.726 42.059 0.069 0.000 1.105 116 L HN 0.786 nan 8.230 nan 0.000 0.477 117 G N 0.187 109.009 108.800 0.037 0.000 2.363 117 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.238 117 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.238 117 G C 1.048 175.944 174.900 -0.007 0.000 1.062 117 G CA 0.252 45.357 45.100 0.008 0.000 0.629 117 G HN 0.568 nan 8.290 nan 0.000 0.514 118 Q N 0.560 120.359 119.800 -0.002 0.000 2.077 118 Q HA -0.105 4.234 4.340 -0.002 0.000 0.206 118 Q C 2.777 178.793 176.000 0.027 0.000 0.989 118 Q CA 2.445 58.242 55.803 -0.009 0.000 0.853 118 Q CB -1.028 27.731 28.738 0.034 0.000 0.907 118 Q HN 0.776 nan 8.270 nan 0.000 0.418 119 G N 0.219 109.060 108.800 0.068 0.000 2.422 119 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.218 119 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.218 119 G C 1.653 176.625 174.900 0.121 0.000 1.146 119 G CA 0.918 46.084 45.100 0.110 0.000 0.769 119 G HN 0.260 nan 8.290 nan 0.000 0.547 120 V N 1.518 121.497 119.914 0.107 0.000 2.295 120 V HA -0.153 3.966 4.120 -0.002 0.000 0.246 120 V C 3.315 179.460 176.094 0.085 0.000 1.049 120 V CA 2.087 64.478 62.300 0.151 0.000 1.024 120 V CB -0.873 31.028 31.823 0.131 0.000 0.648 120 V HN 0.467 nan 8.190 nan 0.000 0.447 121 A N 0.350 123.181 122.820 0.019 0.000 1.930 121 A HA -0.202 4.117 4.320 -0.002 0.000 0.217 121 A C 2.062 179.602 177.584 -0.073 0.000 1.175 121 A CA 1.832 53.849 52.037 -0.033 0.000 0.627 121 A CB -0.641 18.325 19.000 -0.057 0.000 0.815 121 A HN 0.601 nan 8.150 nan 0.000 0.443 122 N N 0.727 119.394 118.700 -0.054 0.000 2.120 122 N HA -0.136 4.603 4.740 -0.002 0.000 0.188 122 N C 1.876 177.297 175.510 -0.149 0.000 1.024 122 N CA 1.622 54.584 53.050 -0.147 0.000 0.852 122 N CB -0.592 37.860 38.487 -0.058 0.000 1.003 122 N HN 0.481 nan 8.380 nan 0.000 0.424 123 A N 0.877 123.725 122.820 0.048 0.000 1.898 123 A HA -0.051 4.268 4.320 -0.002 0.000 0.216 123 A C 2.537 179.976 177.584 -0.242 0.000 1.181 123 A CA 1.113 53.235 52.037 0.142 0.000 0.620 123 A CB -0.755 18.441 19.000 0.326 0.000 0.819 123 A HN 0.098 nan 8.150 nan 0.000 0.442 124 V N 0.033 119.664 119.914 -0.472 0.000 2.332 124 V HA -0.227 3.892 4.120 -0.002 0.000 0.248 124 V C 2.790 178.690 176.094 -0.323 0.000 1.055 124 V CA 2.044 63.998 62.300 -0.577 0.000 1.038 124 V CB -1.411 30.195 31.823 -0.361 0.000 0.651 124 V HN 0.621 nan 8.190 nan 0.000 0.450 125 G N -0.924 107.726 108.800 -0.250 0.000 2.418 125 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.217 125 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.217 125 G C 1.415 176.083 174.900 -0.388 0.000 1.158 125 G CA 0.685 45.626 45.100 -0.264 0.000 0.771 125 G HN 0.439 nan 8.290 nan 0.000 0.545 126 F N 2.032 121.879 119.950 -0.172 0.000 2.171 126 F HA 0.227 4.753 4.527 -0.001 0.000 0.300 126 F C 2.340 178.057 175.800 -0.138 0.000 1.090 126 F CA -0.114 57.838 58.000 -0.080 0.000 1.293 126 F CB -0.711 38.337 39.000 0.079 0.000 1.013 126 F HN 0.208 nan 8.300 nan 0.000 0.486 130 A N 0.635 123.112 122.820 -0.571 0.000 1.898 130 A HA -0.030 4.289 4.320 -0.002 0.000 0.216 130 A C 1.913 179.404 177.584 -0.155 0.000 1.181 130 A CA 1.953 53.825 52.037 -0.274 0.000 0.620 130 A CB -0.416 18.511 19.000 -0.121 0.000 0.819 130 A HN 0.279 nan 8.150 nan 0.000 0.442 131 K N 0.015 120.333 120.400 -0.137 0.000 2.103 131 K HA -0.155 4.164 4.320 -0.002 0.000 0.207 131 K C 1.941 178.460 176.600 -0.135 0.000 1.048 131 K CA 1.768 57.993 56.287 -0.103 0.000 0.930 131 K CB -0.282 32.184 32.500 -0.055 0.000 0.716 131 K HN 0.422 nan 8.250 nan 0.000 0.444 132 K N 1.192 121.522 120.400 -0.117 0.000 2.097 132 K HA 0.018 4.337 4.320 -0.002 0.000 0.205 132 K C 1.864 178.546 176.600 0.137 0.000 1.050 132 K CA 1.342 57.590 56.287 -0.065 0.000 0.938 132 K CB -0.404 32.087 32.500 -0.015 0.000 0.718 132 K HN 0.064 nan 8.250 nan 0.000 0.442 133 A N 0.685 123.627 122.820 0.204 0.000 1.933 133 A HA -0.234 4.085 4.320 -0.002 0.000 0.218 133 A C 2.201 179.870 177.584 0.141 0.000 1.175 133 A CA 1.873 54.048 52.037 0.230 0.000 0.628 133 A CB -0.659 18.481 19.000 0.233 0.000 0.814 133 A HN 0.593 nan 8.150 nan 0.000 0.444 134 Q N -0.274 119.571 119.800 0.075 0.000 2.119 134 Q HA -0.244 4.095 4.340 -0.002 0.000 0.201 134 Q C 1.992 178.008 176.000 0.027 0.000 0.972 134 Q CA 1.821 57.655 55.803 0.052 0.000 0.847 134 Q CB -0.273 28.469 28.738 0.007 0.000 0.903 134 Q HN 0.731 nan 8.270 nan 0.000 0.433 135 N N -0.117 118.578 118.700 -0.008 0.000 2.104 135 N HA -0.168 4.571 4.740 -0.002 0.000 0.190 135 N C 1.676 177.198 175.510 0.019 0.000 1.024 135 N CA 1.471 54.506 53.050 -0.025 0.000 0.853 135 N CB -0.145 38.288 38.487 -0.090 0.000 1.008 135 N HN 0.283 nan 8.380 nan 0.000 0.424 136 L N -0.612 120.649 121.223 0.062 0.000 2.095 136 L HA 0.026 4.365 4.340 -0.002 0.000 0.204 136 L C 1.683 178.594 176.870 0.069 0.000 1.080 136 L CA 0.732 55.618 54.840 0.077 0.000 0.759 136 L CB -0.138 41.993 42.059 0.120 0.000 0.914 136 L HN 0.238 nan 8.230 nan 0.000 0.439 137 L N -1.223 120.052 121.223 0.086 0.000 2.638 137 L HA 0.374 4.713 4.340 -0.002 0.000 0.232 137 L C 0.692 177.609 176.870 0.077 0.000 1.099 137 L CA 0.088 54.983 54.840 0.090 0.000 0.883 137 L CB 0.207 42.351 42.059 0.142 0.000 1.136 137 L HN 0.314 nan 8.230 nan 0.000 0.492 138 G N 0.356 109.197 108.800 0.068 0.000 2.675 138 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.686 138 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.686 138 G C 0.550 175.493 174.900 0.073 0.000 1.215 138 G CA -0.141 44.991 45.100 0.054 0.000 0.777 138 G HN 0.177 nan 8.290 nan 0.000 0.638 139 S N -0.306 115.427 115.700 0.054 0.000 2.474 139 S HA -0.092 4.377 4.470 -0.002 0.000 0.235 139 S C 1.812 176.465 174.600 0.088 0.000 0.997 139 S CA 1.771 60.009 58.200 0.063 0.000 0.949 139 S CB -0.145 63.078 63.200 0.039 0.000 0.766 139 S HN 1.115 nan 8.310 nan 0.000 0.517 140 D N 1.978 122.424 120.400 0.077 0.000 2.219 140 D HA -0.096 4.543 4.640 -0.002 0.000 0.205 140 D C 1.759 178.139 176.300 0.134 0.000 0.970 140 D CA 0.794 54.842 54.000 0.081 0.000 0.851 140 D CB -0.392 40.428 40.800 0.034 0.000 0.943 140 D HN 0.503 nan 8.370 nan 0.000 0.488 141 L N -0.693 120.634 121.223 0.174 0.000 2.537 141 L HA 0.206 4.545 4.340 -0.002 0.000 0.224 141 L C 0.472 177.658 176.870 0.526 0.000 1.065 141 L CA 0.078 55.121 54.840 0.338 0.000 0.860 141 L CB 0.711 42.905 42.059 0.225 0.000 1.086 141 L HN -0.089 nan 8.230 nan 0.000 0.482 142 I N 1.219 121.972 120.570 0.305 0.000 2.439 142 I HA 0.212 4.381 4.170 -0.002 0.000 0.283 142 I C -0.727 175.470 176.117 0.134 0.000 1.023 142 I CA -0.039 61.412 61.300 0.252 0.000 1.100 142 I CB 1.330 39.463 38.000 0.222 0.000 1.238 142 I HN 0.132 nan 8.210 nan 0.000 0.445 143 D N 3.220 123.687 120.400 0.112 0.000 2.640 143 D HA 0.034 4.673 4.640 -0.002 0.000 0.282 143 D C 0.150 176.444 176.300 -0.010 0.000 1.558 143 D CA -0.210 53.812 54.000 0.036 0.000 0.820 143 D CB -0.439 40.419 40.800 0.098 0.000 1.243 143 D HN 0.567 nan 8.370 nan 0.000 0.456 144 H N -0.613 118.448 119.070 -0.015 0.000 2.505 144 H HA 0.696 5.250 4.556 -0.002 0.000 0.358 144 H C 0.120 175.419 175.328 -0.049 0.000 1.304 144 H CA -0.498 55.517 56.048 -0.055 0.000 1.393 144 H CB 0.975 30.636 29.762 -0.167 0.000 1.591 144 H HN -0.288 nan 8.280 nan 0.000 0.595 145 K N 0.404 120.846 120.400 0.070 0.000 2.168 145 K HA 0.419 4.738 4.320 -0.002 0.000 0.239 145 K C -0.784 175.819 176.600 0.004 0.000 0.999 145 K CA -0.855 55.364 56.287 -0.114 0.000 0.900 145 K CB 1.688 33.955 32.500 -0.388 0.000 1.111 145 K HN 0.527 nan 8.250 nan 0.000 0.452 146 I N 1.669 122.169 120.570 -0.117 0.000 2.439 146 I HA 0.215 4.384 4.170 -0.002 0.000 0.283 146 I C -1.148 174.947 176.117 -0.036 0.000 1.023 146 I CA -0.459 60.875 61.300 0.056 0.000 1.100 146 I CB 0.848 38.990 38.000 0.236 0.000 1.238 146 I HN 0.326 nan 8.210 nan 0.000 0.445 147 Y N 4.850 125.237 120.300 0.145 0.000 2.331 147 Y HA 0.573 5.122 4.550 -0.002 0.000 0.338 147 Y C 0.135 176.093 175.900 0.096 0.000 0.992 147 Y CA -0.520 57.620 58.100 0.067 0.000 1.121 147 Y CB 1.804 40.262 38.460 -0.002 0.000 1.184 147 Y HN 0.578 nan 8.280 nan 0.000 0.469 148 C N 6.378 125.808 119.300 0.216 0.000 2.396 148 C HA 0.718 5.177 4.460 -0.002 0.000 0.321 148 C C -0.832 174.170 174.990 0.020 0.000 1.233 148 C CA -1.001 58.121 59.018 0.173 0.000 1.440 148 C CB -0.709 27.221 27.740 0.316 0.000 2.110 148 C HN 0.837 nan 8.230 nan 0.000 0.473 149 L N 6.571 127.734 121.223 -0.099 0.000 2.275 149 L HA 0.689 5.028 4.340 -0.002 0.000 0.288 149 L C 0.453 177.249 176.870 -0.123 0.000 1.046 149 L CA -0.199 54.511 54.840 -0.217 0.000 0.805 149 L CB 0.681 42.413 42.059 -0.544 0.000 1.193 149 L HN 0.918 nan 8.230 nan 0.000 0.426 150 C N 0.651 119.918 119.300 -0.054 0.000 3.154 150 C HA 1.033 5.492 4.460 -0.002 0.000 0.312 150 C C 0.283 175.323 174.990 0.084 0.000 1.349 150 C CA -0.384 58.643 59.018 0.015 0.000 1.518 150 C CB 1.170 28.927 27.740 0.027 0.000 1.934 150 C HN 0.904 nan 8.230 nan 0.000 0.462 151 G N -0.292 108.576 108.800 0.114 0.000 3.105 151 G HA2 0.480 4.439 3.960 -0.002 0.000 0.277 151 G HA3 0.480 4.439 3.960 -0.002 0.000 0.277 151 G C -0.098 174.876 174.900 0.123 0.000 1.375 151 G CA -0.193 45.015 45.100 0.179 0.000 0.962 151 G HN 0.769 nan 8.290 nan 0.000 0.541 152 D N -0.066 120.411 120.400 0.128 0.000 2.133 152 D HA -0.144 4.495 4.640 -0.002 0.000 0.195 152 D C 2.474 178.679 176.300 -0.157 0.000 0.997 152 D CA 1.834 55.791 54.000 -0.071 0.000 0.840 152 D CB -0.336 40.413 40.800 -0.086 0.000 0.947 152 D HN 0.445 nan 8.370 nan 0.000 0.452 153 G N 1.207 109.966 108.800 -0.069 0.000 2.440 153 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.218 153 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.218 153 G C 1.346 176.222 174.900 -0.040 0.000 1.154 153 G CA 0.815 45.884 45.100 -0.051 0.000 0.767 153 G HN 0.209 nan 8.290 nan 0.000 0.552 154 D N 0.561 120.946 120.400 -0.025 0.000 2.117 154 D HA -0.057 4.582 4.640 -0.002 0.000 0.197 154 D C 2.536 178.776 176.300 -0.100 0.000 0.987 154 D CA 0.618 54.601 54.000 -0.028 0.000 0.829 154 D CB -0.095 40.704 40.800 -0.000 0.000 0.961 154 D HN 0.298 nan 8.370 nan 0.000 0.460 155 L N 0.579 121.677 121.223 -0.208 0.000 2.395 155 L HA -0.068 4.271 4.340 -0.002 0.000 0.218 155 L C 2.299 179.001 176.870 -0.280 0.000 1.130 155 L CA 0.532 55.175 54.840 -0.328 0.000 0.826 155 L CB -0.201 41.554 42.059 -0.506 0.000 0.941 155 L HN -0.040 nan 8.230 nan 0.000 0.451 156 Q N -0.444 119.262 119.800 -0.156 0.000 2.269 156 Q HA -0.006 4.333 4.340 -0.002 0.000 0.201 156 Q C 0.273 176.392 176.000 0.199 0.000 0.946 156 Q CA 0.262 56.106 55.803 0.068 0.000 0.877 156 Q CB 0.349 29.091 28.738 0.007 0.000 0.963 156 Q HN 0.351 nan 8.270 nan 0.000 0.472 157 E N 0.329 120.590 120.200 0.103 0.000 2.384 157 E HA -0.013 4.336 4.350 -0.002 0.000 0.266 157 E C 0.944 177.690 176.600 0.244 0.000 1.012 157 E CA 0.173 56.653 56.400 0.133 0.000 0.901 157 E CB 1.101 30.842 29.700 0.068 0.000 0.967 157 E HN 0.317 nan 8.360 nan 0.000 0.435 158 G N 3.933 112.871 108.800 0.230 0.000 2.469 158 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.220 158 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.220 158 G C 1.433 176.473 174.900 0.233 0.000 1.136 158 G CA 0.361 45.608 45.100 0.245 0.000 0.759 158 G HN 0.628 nan 8.290 nan 0.000 0.562 159 I N 1.526 122.172 120.570 0.126 0.000 2.361 159 I HA -0.222 3.947 4.170 -0.002 0.000 0.251 159 I C 3.052 179.188 176.117 0.031 0.000 1.133 159 I CA 1.711 63.017 61.300 0.010 0.000 1.413 159 I CB -0.054 37.798 38.000 -0.246 0.000 1.073 159 I HN 0.362 nan 8.210 nan 0.000 0.424 160 S N 0.112 115.834 115.700 0.037 0.000 2.368 160 S HA -0.237 4.232 4.470 -0.002 0.000 0.224 160 S C 1.972 176.545 174.600 -0.044 0.000 1.029 160 S CA 1.057 59.239 58.200 -0.029 0.000 0.988 160 S CB -1.009 62.114 63.200 -0.128 0.000 0.838 160 S HN 0.564 nan 8.310 nan 0.000 0.462 161 Y N 2.222 122.487 120.300 -0.058 0.000 2.181 161 Y HA 0.005 4.554 4.550 -0.001 0.000 0.288 161 Y C 2.796 178.665 175.900 -0.051 0.000 1.146 161 Y CA 1.448 59.486 58.100 -0.103 0.000 1.164 161 Y CB -0.437 37.971 38.460 -0.086 0.000 0.982 161 Y HN 0.344 nan 8.280 nan 0.000 0.515 162 E N 0.084 120.383 120.200 0.164 0.000 2.051 162 E HA -0.220 4.129 4.350 -0.002 0.000 0.192 162 E C 2.447 179.101 176.600 0.091 0.000 0.991 162 E CA 1.029 57.493 56.400 0.107 0.000 0.799 162 E CB -0.305 29.454 29.700 0.099 0.000 0.748 162 E HN 0.472 nan 8.360 nan 0.000 0.449 163 A N 0.657 123.522 122.820 0.075 0.000 1.898 163 A HA -0.166 4.153 4.320 -0.002 0.000 0.216 163 A C 2.384 180.037 177.584 0.115 0.000 1.181 163 A CA 1.077 53.154 52.037 0.067 0.000 0.620 163 A CB -0.715 18.303 19.000 0.031 0.000 0.819 163 A HN 0.359 nan 8.150 nan 0.000 0.442 164 C N -1.158 118.230 119.300 0.147 0.000 2.432 164 C HA -0.010 4.449 4.460 -0.002 0.000 0.280 164 C C 3.214 178.368 174.990 0.273 0.000 1.353 164 C CA 1.088 60.282 59.018 0.294 0.000 1.766 164 C CB -1.152 26.633 27.740 0.076 0.000 1.924 164 C HN 0.674 nan 8.230 nan 0.000 0.509 165 S N 0.599 116.380 115.700 0.136 0.000 2.353 165 S HA -0.126 4.343 4.470 -0.002 0.000 0.222 165 S C 1.741 176.412 174.600 0.119 0.000 1.035 165 S CA 1.465 59.733 58.200 0.112 0.000 1.025 165 S CB -0.258 62.986 63.200 0.074 0.000 0.902 165 S HN 0.619 nan 8.310 nan 0.000 0.440 166 L N 0.906 122.200 121.223 0.119 0.000 2.131 166 L HA -0.071 4.268 4.340 -0.002 0.000 0.210 166 L C 2.821 179.785 176.870 0.157 0.000 1.092 166 L CA 1.092 56.015 54.840 0.138 0.000 0.759 166 L CB -0.595 41.532 42.059 0.114 0.000 0.903 166 L HN 0.408 nan 8.230 nan 0.000 0.435 167 A N 0.138 123.041 122.820 0.139 0.000 1.902 167 A HA -0.130 4.189 4.320 -0.002 0.000 0.217 167 A C 2.385 179.992 177.584 0.038 0.000 1.181 167 A CA 1.753 53.842 52.037 0.087 0.000 0.623 167 A CB -1.153 17.937 19.000 0.150 0.000 0.818 167 A HN 0.440 nan 8.150 nan 0.000 0.443 168 G N -0.333 108.524 108.800 0.095 0.000 2.402 168 G HA2 -0.083 3.876 3.960 -0.002 0.000 0.216 168 G HA3 -0.083 3.876 3.960 -0.002 0.000 0.216 168 G C 1.480 176.380 174.900 0.001 0.000 1.162 168 G CA 1.070 46.194 45.100 0.040 0.000 0.777 168 G HN 0.481 nan 8.290 nan 0.000 0.539 169 L N 0.230 121.441 121.223 -0.020 0.000 2.042 169 L HA -0.059 4.280 4.340 -0.002 0.000 0.210 169 L C 2.156 178.869 176.870 -0.260 0.000 1.076 169 L CA 1.737 56.483 54.840 -0.156 0.000 0.749 169 L CB -0.527 41.392 42.059 -0.233 0.000 0.893 169 L HN 0.297 nan 8.230 nan 0.000 0.432 170 H N 0.492 119.573 119.070 0.018 0.000 2.533 170 H HA 0.143 4.698 4.556 -0.002 0.000 0.271 170 H C 0.094 175.436 175.328 0.025 0.000 1.000 170 H CA 0.145 56.224 56.048 0.051 0.000 1.149 170 H CB 0.016 29.836 29.762 0.097 0.000 1.375 170 H HN 0.341 nan 8.280 nan 0.000 0.582 171 K N 0.862 121.288 120.400 0.042 0.000 3.419 171 K HA -0.163 4.156 4.320 -0.002 0.000 0.272 171 K C -0.450 176.154 176.600 0.007 0.000 0.973 171 K CA 0.031 56.319 56.287 0.001 0.000 0.749 171 K CB -1.570 30.931 32.500 0.001 0.000 1.403 171 K HN 0.308 nan 8.250 nan 0.000 0.456 172 L N 2.243 123.464 121.223 -0.003 0.000 2.384 172 L HA 0.029 4.368 4.340 -0.002 0.000 0.258 172 L C 1.169 178.033 176.870 -0.011 0.000 1.266 172 L CA -0.213 54.630 54.840 0.005 0.000 1.162 172 L CB -0.207 41.857 42.059 0.008 0.000 1.375 172 L HN 0.277 nan 8.230 nan 0.000 0.420 173 D N -0.296 120.088 120.400 -0.026 0.000 2.323 173 D HA -0.096 4.543 4.640 -0.002 0.000 0.239 173 D C 0.915 177.190 176.300 -0.041 0.000 1.129 173 D CA -0.032 53.945 54.000 -0.040 0.000 0.865 173 D CB -0.091 40.688 40.800 -0.035 0.000 0.913 173 D HN 0.433 nan 8.370 nan 0.000 0.517 174 N N -0.266 118.416 118.700 -0.030 0.000 2.205 174 N HA 0.052 4.791 4.740 -0.002 0.000 0.201 174 N C -0.668 174.840 175.510 -0.002 0.000 1.128 174 N CA -0.591 52.424 53.050 -0.058 0.000 0.867 174 N CB -0.223 38.195 38.487 -0.114 0.000 0.996 174 N HN 0.123 nan 8.380 nan 0.000 0.503 175 F N 1.703 121.566 119.950 -0.145 0.000 2.444 175 F HA 0.608 5.134 4.527 -0.002 0.000 0.342 175 F C -1.000 174.739 175.800 -0.103 0.000 1.121 175 F CA -2.121 55.811 58.000 -0.114 0.000 0.997 175 F CB 0.827 39.786 39.000 -0.069 0.000 1.130 175 F HN -0.132 nan 8.300 nan 0.000 0.454 176 I N 7.868 128.173 120.570 -0.442 0.000 2.439 176 I HA 0.259 4.428 4.170 -0.002 0.000 0.283 176 I C -1.455 174.372 176.117 -0.483 0.000 1.023 176 I CA -0.925 60.117 61.300 -0.429 0.000 1.100 176 I CB 1.736 39.599 38.000 -0.229 0.000 1.238 176 I HN 0.397 nan 8.210 nan 0.000 0.445 177 L N 8.507 129.383 121.223 -0.578 0.000 2.272 177 L HA 0.584 4.923 4.340 -0.002 0.000 0.289 177 L C -0.695 176.051 176.870 -0.206 0.000 1.032 177 L CA -0.070 54.536 54.840 -0.390 0.000 0.810 177 L CB 1.002 42.817 42.059 -0.406 0.000 1.205 177 L HN 0.394 nan 8.230 nan 0.000 0.422 178 I N 6.041 126.536 120.570 -0.125 0.000 2.354 178 I HA 0.199 4.368 4.170 -0.002 0.000 0.286 178 I C -1.222 174.858 176.117 -0.063 0.000 1.007 178 I CA -0.772 60.462 61.300 -0.110 0.000 1.167 178 I CB 1.005 38.931 38.000 -0.122 0.000 1.320 178 I HN 0.522 nan 8.210 nan 0.000 0.458 179 Y N 6.520 126.692 120.300 -0.212 0.000 2.367 179 Y HA 0.289 4.838 4.550 -0.002 0.000 0.342 179 Y C -0.108 175.691 175.900 -0.167 0.000 0.979 179 Y CA -1.512 56.471 58.100 -0.195 0.000 1.161 179 Y CB 0.749 39.064 38.460 -0.242 0.000 1.155 179 Y HN 0.491 nan 8.280 nan 0.000 0.503 180 D N 4.342 124.629 120.400 -0.188 0.000 2.402 180 D HA 0.036 4.675 4.640 -0.002 0.000 0.235 180 D C -0.628 175.356 176.300 -0.527 0.000 1.226 180 D CA 0.350 54.166 54.000 -0.306 0.000 0.918 180 D CB 0.296 41.015 40.800 -0.134 0.000 1.043 180 D HN 0.426 nan 8.370 nan 0.000 0.506 181 S N 3.381 118.618 115.700 -0.771 0.000 2.642 181 S HA 0.127 4.597 4.470 -0.002 0.000 0.309 181 S C 0.721 175.134 174.600 -0.313 0.000 1.125 181 S CA -0.801 56.955 58.200 -0.739 0.000 1.055 181 S CB -0.389 62.321 63.200 -0.816 0.000 1.157 181 S HN 0.524 nan 8.310 nan 0.000 0.513 182 N N 3.600 122.191 118.700 -0.180 0.000 2.187 182 N HA 0.109 4.848 4.740 -0.002 0.000 0.212 182 N C 0.044 175.536 175.510 -0.031 0.000 1.152 182 N CA -0.302 52.700 53.050 -0.079 0.000 0.872 182 N CB -0.359 38.107 38.487 -0.035 0.000 1.025 182 N HN 0.516 nan 8.380 nan 0.000 0.514 183 N N -0.592 118.090 118.700 -0.030 0.000 2.828 183 N HA -0.179 4.560 4.740 -0.002 0.000 0.248 183 N C -0.700 174.820 175.510 0.016 0.000 1.044 183 N CA 1.401 54.456 53.050 0.007 0.000 0.851 183 N CB -1.493 37.001 38.487 0.011 0.000 1.136 183 N HN 0.717 nan 8.380 nan 0.000 0.572 184 I N -2.626 117.948 120.570 0.008 0.000 2.689 184 I HA 0.808 4.977 4.170 -0.002 0.000 0.299 184 I C 0.390 176.486 176.117 -0.035 0.000 1.059 184 I CA -0.871 60.435 61.300 0.009 0.000 1.055 184 I CB 2.468 40.500 38.000 0.053 0.000 1.243 184 I HN 0.078 nan 8.210 nan 0.000 0.425 185 S N 4.393 120.056 115.700 -0.061 0.000 2.851 185 S HA 0.575 5.044 4.470 -0.002 0.000 0.313 185 S C 0.803 175.316 174.600 -0.145 0.000 1.163 185 S CA -0.766 57.355 58.200 -0.133 0.000 0.850 185 S CB 0.696 63.830 63.200 -0.109 0.000 1.245 185 S HN 0.608 nan 8.310 nan 0.000 0.558 186 I N 1.254 121.717 120.570 -0.178 0.000 2.286 186 I HA -0.053 4.116 4.170 -0.002 0.000 0.248 186 I C 2.077 178.121 176.117 -0.122 0.000 1.115 186 I CA 1.588 62.818 61.300 -0.116 0.000 1.392 186 I CB -1.662 36.290 38.000 -0.080 0.000 1.065 186 I HN 0.757 nan 8.210 nan 0.000 0.418 187 E N 0.337 120.460 120.200 -0.130 0.000 2.502 187 E HA 0.239 4.588 4.350 -0.002 0.000 0.194 187 E C 1.151 177.613 176.600 -0.229 0.000 1.062 187 E CA 0.439 56.747 56.400 -0.153 0.000 0.867 187 E CB 0.140 29.789 29.700 -0.086 0.000 0.888 187 E HN 0.598 nan 8.360 nan 0.000 0.510 188 G N 1.817 110.457 108.800 -0.266 0.000 2.456 188 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.204 188 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.204 188 G C -0.974 173.875 174.900 -0.084 0.000 1.193 188 G CA -0.427 44.515 45.100 -0.263 0.000 1.220 188 G HN 0.272 nan 8.290 nan 0.000 0.565 189 D N 0.308 120.684 120.400 -0.041 0.000 2.455 189 D HA 0.368 5.007 4.640 -0.002 0.000 0.241 189 D C 1.764 178.071 176.300 0.011 0.000 1.138 189 D CA 0.674 54.676 54.000 0.002 0.000 0.877 189 D CB 1.459 42.266 40.800 0.012 0.000 1.187 189 D HN 0.521 nan 8.370 nan 0.000 0.451 190 V N 4.067 123.999 119.914 0.030 0.000 2.469 190 V HA -0.163 3.956 4.120 -0.002 0.000 0.251 190 V C 2.331 178.493 176.094 0.113 0.000 1.064 190 V CA 2.256 64.592 62.300 0.059 0.000 1.066 190 V CB -0.769 31.095 31.823 0.069 0.000 0.667 190 V HN 0.833 nan 8.190 nan 0.000 0.461 191 G N -0.499 108.358 108.800 0.096 0.000 2.535 191 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.218 191 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.218 191 G C 1.488 176.426 174.900 0.064 0.000 1.122 191 G CA 0.685 45.839 45.100 0.090 0.000 0.769 191 G HN 0.468 nan 8.290 nan 0.000 0.549 192 L N 0.479 121.730 121.223 0.046 0.000 2.131 192 L HA 0.192 4.531 4.340 -0.002 0.000 0.210 192 L C 2.391 179.287 176.870 0.044 0.000 1.092 192 L CA 2.107 56.964 54.840 0.029 0.000 0.759 192 L CB -0.015 42.047 42.059 0.005 0.000 0.903 192 L HN 0.213 nan 8.230 nan 0.000 0.435 193 A N -3.267 119.602 122.820 0.082 0.000 2.671 193 A HA 0.327 4.646 4.320 -0.002 0.000 0.265 193 A C -0.156 177.556 177.584 0.212 0.000 1.148 193 A CA -0.307 51.795 52.037 0.108 0.000 0.977 193 A CB 0.053 19.104 19.000 0.084 0.000 1.242 193 A HN 0.200 nan 8.150 nan 0.000 0.591 194 F N 1.333 121.294 119.950 0.018 0.000 2.639 194 F HA 0.440 4.966 4.527 -0.002 0.000 0.326 194 F C -1.089 174.731 175.800 0.032 0.000 1.150 194 F CA -0.584 57.434 58.000 0.030 0.000 1.057 194 F CB 1.589 40.612 39.000 0.039 0.000 1.300 194 F HN 0.073 nan 8.300 nan 0.000 0.486 195 N N 3.222 121.699 118.700 -0.371 0.000 2.381 195 N HA 0.082 4.821 4.740 -0.002 0.000 0.257 195 N C -1.035 174.250 175.510 -0.375 0.000 1.409 195 N CA -0.401 52.509 53.050 -0.233 0.000 0.836 195 N CB -0.081 38.353 38.487 -0.087 0.000 1.384 195 N HN 0.652 nan 8.380 nan 0.000 0.490 196 E N 0.758 120.471 120.200 -0.812 0.000 2.437 196 E HA -0.036 4.313 4.350 -0.002 0.000 0.263 196 E C -0.225 176.279 176.600 -0.159 0.000 1.030 196 E CA -0.101 56.011 56.400 -0.479 0.000 0.934 196 E CB 0.596 29.970 29.700 -0.544 0.000 0.943 196 E HN 0.190 nan 8.360 nan 0.000 0.444 197 N N 2.498 121.160 118.700 -0.065 0.000 2.448 197 N HA -0.019 4.720 4.740 -0.002 0.000 0.250 197 N C 0.413 175.967 175.510 0.074 0.000 1.136 197 N CA 0.054 53.114 53.050 0.016 0.000 0.953 197 N CB 0.705 39.197 38.487 0.009 0.000 1.251 197 N HN 0.227 nan 8.380 nan 0.000 0.502 198 V N 3.202 123.201 119.914 0.142 0.000 2.427 198 V HA -0.152 3.967 4.120 -0.002 0.000 0.248 198 V C 1.650 177.872 176.094 0.214 0.000 1.051 198 V CA 1.294 63.727 62.300 0.222 0.000 1.048 198 V CB -0.558 31.418 31.823 0.254 0.000 0.666 198 V HN 0.623 nan 8.190 nan 0.000 0.456 202 F N 2.589 122.479 119.950 -0.100 0.000 2.293 202 F HA 0.198 4.724 4.527 -0.001 0.000 0.297 202 F C 2.009 177.822 175.800 0.022 0.000 1.089 202 F CA 1.491 59.374 58.000 -0.195 0.000 1.377 202 F CB 0.126 38.894 39.000 -0.386 0.000 1.051 202 F HN 0.163 nan 8.300 nan 0.000 0.511 203 E N 0.054 120.378 120.200 0.207 0.000 2.153 203 E HA -0.188 4.161 4.350 -0.002 0.000 0.194 203 E C 2.344 179.021 176.600 0.128 0.000 0.988 203 E CA 0.904 57.407 56.400 0.173 0.000 0.811 203 E CB -0.277 29.495 29.700 0.120 0.000 0.746 203 E HN 0.367 nan 8.360 nan 0.000 0.466 204 A N 0.969 123.837 122.820 0.081 0.000 2.067 204 A HA -0.177 4.142 4.320 -0.002 0.000 0.219 204 A C 1.734 179.356 177.584 0.064 0.000 1.158 204 A CA 1.060 53.127 52.037 0.051 0.000 0.661 204 A CB -0.094 18.917 19.000 0.019 0.000 0.801 204 A HN 0.170 nan 8.150 nan 0.000 0.452 205 Q N -1.444 118.413 119.800 0.095 0.000 2.201 205 Q HA 0.331 4.670 4.340 -0.002 0.000 0.217 205 Q C 0.715 176.904 176.000 0.315 0.000 0.860 205 Q CA 0.184 56.082 55.803 0.158 0.000 0.984 205 Q CB 0.338 29.126 28.738 0.084 0.000 1.095 205 Q HN 0.793 nan 8.270 nan 0.000 0.477 206 G N 0.831 109.785 108.800 0.256 0.000 2.147 206 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.244 206 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.244 206 G C -0.311 174.720 174.900 0.219 0.000 1.005 206 G CA -0.247 44.968 45.100 0.191 0.000 0.713 206 G HN 0.251 nan 8.290 nan 0.000 0.515 207 F N 0.473 120.495 119.950 0.120 0.000 2.399 207 F HA 0.583 5.109 4.527 -0.002 0.000 0.328 207 F C 0.790 176.638 175.800 0.080 0.000 1.084 207 F CA -1.126 56.951 58.000 0.128 0.000 1.053 207 F CB 1.217 40.349 39.000 0.221 0.000 1.209 207 F HN 0.163 nan 8.300 nan 0.000 0.502 208 E N 1.333 121.654 120.200 0.201 0.000 2.259 208 E HA 0.501 4.850 4.350 -0.002 0.000 0.281 208 E C -1.628 175.049 176.600 0.128 0.000 1.027 208 E CA -0.402 56.073 56.400 0.125 0.000 0.838 208 E CB 1.047 30.779 29.700 0.053 0.000 1.066 208 E HN 0.400 nan 8.360 nan 0.000 0.401 209 V N 6.386 126.350 119.914 0.083 0.000 2.444 209 V HA 0.351 4.470 4.120 -0.002 0.000 0.294 209 V C -0.231 175.864 176.094 0.003 0.000 1.022 209 V CA -0.699 61.621 62.300 0.033 0.000 0.850 209 V CB 1.177 33.021 31.823 0.036 0.000 0.992 209 V HN 0.640 nan 8.190 nan 0.000 0.426 210 L N 3.287 124.495 121.223 -0.026 0.000 2.334 210 L HA 0.719 5.058 4.340 -0.002 0.000 0.273 210 L C -0.018 176.821 176.870 -0.051 0.000 1.013 210 L CA -0.322 54.498 54.840 -0.034 0.000 0.816 210 L CB 2.236 44.272 42.059 -0.040 0.000 1.278 210 L HN 0.555 nan 8.230 nan 0.000 0.431 211 S N 3.419 119.091 115.700 -0.047 0.000 2.605 211 S HA 0.718 5.187 4.470 -0.002 0.000 0.308 211 S C -0.568 173.991 174.600 -0.068 0.000 1.113 211 S CA -0.552 57.612 58.200 -0.059 0.000 1.049 211 S CB 1.477 64.653 63.200 -0.040 0.000 1.001 211 S HN 0.535 nan 8.310 nan 0.000 0.480 212 I N 0.326 120.839 120.570 -0.095 0.000 3.145 212 I HA 0.673 4.842 4.170 -0.002 0.000 0.313 212 I C -0.779 175.260 176.117 -0.130 0.000 1.122 212 I CA -1.087 60.151 61.300 -0.102 0.000 0.987 212 I CB 1.796 39.731 38.000 -0.109 0.000 1.236 212 I HN 0.385 nan 8.210 nan 0.000 0.453 213 N N 2.360 120.985 118.700 -0.125 0.000 2.401 213 N HA 0.251 4.990 4.740 -0.002 0.000 0.255 213 N C 0.766 176.141 175.510 -0.226 0.000 1.110 213 N CA 0.015 52.973 53.050 -0.154 0.000 0.949 213 N CB 1.481 39.906 38.487 -0.103 0.000 1.110 213 N HN 0.923 nan 8.380 nan 0.000 0.490 214 G N 2.171 110.761 108.800 -0.349 0.000 2.776 214 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.209 214 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.209 214 G C 0.542 175.077 174.900 -0.610 0.000 1.145 214 G CA 0.342 45.169 45.100 -0.455 0.000 0.791 214 G HN 0.715 nan 8.290 nan 0.000 0.530 215 H N -0.520 118.428 119.070 -0.204 0.000 2.672 215 H HA 0.142 4.696 4.556 -0.002 0.000 0.277 215 H C -0.529 174.543 175.328 -0.428 0.000 1.074 215 H CA -0.421 55.452 56.048 -0.293 0.000 1.173 215 H CB 1.008 30.643 29.762 -0.212 0.000 1.558 215 H HN 0.254 nan 8.280 nan 0.000 0.539 216 D N 0.375 120.613 120.400 -0.270 0.000 2.427 216 D HA 0.008 4.647 4.640 -0.002 0.000 0.226 216 D C 0.463 176.632 176.300 -0.218 0.000 1.076 216 D CA -0.602 53.252 54.000 -0.244 0.000 0.849 216 D CB 0.590 41.318 40.800 -0.120 0.000 1.052 216 D HN -0.006 nan 8.370 nan 0.000 0.515 217 Y N 2.240 122.535 120.300 -0.009 0.000 2.165 217 Y HA -0.150 4.399 4.550 -0.001 0.000 0.286 217 Y C 2.351 178.233 175.900 -0.031 0.000 1.155 217 Y CA 1.163 59.250 58.100 -0.022 0.000 1.164 217 Y CB -0.232 38.213 38.460 -0.026 0.000 0.978 217 Y HN 0.521 nan 8.280 nan 0.000 0.513 218 E N 0.536 120.801 120.200 0.107 0.000 2.077 218 E HA -0.225 4.124 4.350 -0.002 0.000 0.193 218 E C 1.812 178.423 176.600 0.018 0.000 0.989 218 E CA 1.462 57.893 56.400 0.052 0.000 0.800 218 E CB -0.048 29.674 29.700 0.035 0.000 0.746 218 E HN 0.586 nan 8.360 nan 0.000 0.452 219 E N 0.170 120.364 120.200 -0.010 0.000 2.106 219 E HA -0.163 4.186 4.350 -0.002 0.000 0.192 219 E C 2.206 178.782 176.600 -0.039 0.000 0.984 219 E CA 1.054 57.435 56.400 -0.031 0.000 0.806 219 E CB -0.052 29.615 29.700 -0.056 0.000 0.750 219 E HN 0.389 nan 8.360 nan 0.000 0.458 220 I N 1.422 121.968 120.570 -0.040 0.000 2.179 220 I HA -0.280 3.889 4.170 -0.002 0.000 0.242 220 I C 2.381 178.478 176.117 -0.034 0.000 1.088 220 I CA 1.102 62.372 61.300 -0.049 0.000 1.357 220 I CB -0.306 37.675 38.000 -0.032 0.000 1.051 220 I HN 0.085 nan 8.210 nan 0.000 0.409 221 N N 1.221 119.935 118.700 0.024 0.000 2.084 221 N HA -0.254 4.485 4.740 -0.002 0.000 0.190 221 N C 1.851 177.383 175.510 0.036 0.000 1.030 221 N CA 1.593 54.686 53.050 0.071 0.000 0.849 221 N CB -0.117 38.432 38.487 0.104 0.000 1.012 221 N HN 0.179 nan 8.380 nan 0.000 0.423 222 K N -0.349 120.062 120.400 0.018 0.000 2.057 222 K HA -0.050 4.269 4.320 -0.002 0.000 0.207 222 K C 1.842 178.435 176.600 -0.011 0.000 1.049 222 K CA 1.214 57.509 56.287 0.012 0.000 0.931 222 K CB -0.254 32.249 32.500 0.005 0.000 0.714 222 K HN 0.252 nan 8.250 nan 0.000 0.440 223 A N 1.270 124.069 122.820 -0.036 0.000 1.902 223 A HA -0.109 4.210 4.320 -0.002 0.000 0.217 223 A C 2.097 179.641 177.584 -0.067 0.000 1.181 223 A CA 1.192 53.198 52.037 -0.051 0.000 0.623 223 A CB -0.546 18.413 19.000 -0.068 0.000 0.818 223 A HN 0.314 nan 8.150 nan 0.000 0.443 224 L N -0.810 120.341 121.223 -0.121 0.000 2.056 224 L HA -0.199 4.140 4.340 -0.002 0.000 0.207 224 L C 2.613 179.416 176.870 -0.113 0.000 1.078 224 L CA 1.593 56.312 54.840 -0.202 0.000 0.749 224 L CB -0.579 41.147 42.059 -0.556 0.000 0.901 224 L HN 0.475 nan 8.230 nan 0.000 0.433 225 E N -0.315 119.868 120.200 -0.028 0.000 2.058 225 E HA -0.315 4.034 4.350 -0.002 0.000 0.194 225 E C 2.156 178.780 176.600 0.039 0.000 0.997 225 E CA 1.416 57.859 56.400 0.071 0.000 0.801 225 E CB -0.076 29.685 29.700 0.101 0.000 0.746 225 E HN 0.450 nan 8.360 nan 0.000 0.450 226 Q N 0.413 120.221 119.800 0.014 0.000 2.084 226 Q HA -0.165 4.174 4.340 -0.002 0.000 0.202 226 Q C 2.143 178.143 176.000 0.001 0.000 0.978 226 Q CA 1.455 57.263 55.803 0.008 0.000 0.844 226 Q CB -0.132 28.605 28.738 -0.001 0.000 0.898 226 Q HN 0.250 nan 8.270 nan 0.000 0.426 227 A N 0.980 123.793 122.820 -0.012 0.000 1.940 227 A HA -0.215 4.104 4.320 -0.002 0.000 0.219 227 A C 1.906 179.481 177.584 -0.015 0.000 1.176 227 A CA 1.754 53.778 52.037 -0.022 0.000 0.631 227 A CB -0.402 18.578 19.000 -0.033 0.000 0.814 227 A HN 0.353 nan 8.150 nan 0.000 0.446 228 K N -0.350 120.059 120.400 0.014 0.000 2.283 228 K HA -0.068 4.251 4.320 -0.002 0.000 0.202 228 K C 1.301 177.915 176.600 0.024 0.000 1.048 228 K CA 1.284 57.590 56.287 0.032 0.000 0.948 228 K CB -0.041 32.518 32.500 0.098 0.000 0.742 228 K HN 0.426 nan 8.250 nan 0.000 0.458 229 K N 0.341 120.754 120.400 0.021 0.000 2.358 229 K HA 0.099 4.419 4.320 -0.002 0.000 0.197 229 K C 0.351 176.954 176.600 0.005 0.000 1.025 229 K CA -0.161 56.137 56.287 0.018 0.000 1.104 229 K CB 0.865 33.380 32.500 0.025 0.000 0.855 229 K HN -0.086 nan 8.250 nan 0.000 0.531 230 S N 1.354 117.050 115.700 -0.006 0.000 2.568 230 S HA -0.015 4.454 4.470 -0.002 0.000 0.282 230 S C 1.228 175.818 174.600 -0.017 0.000 1.338 230 S CA -0.132 58.061 58.200 -0.013 0.000 1.045 230 S CB 0.718 63.903 63.200 -0.026 0.000 0.873 230 S HN 0.421 nan 8.310 nan 0.000 0.516 231 T N 1.475 116.021 114.554 -0.013 0.000 3.144 231 T HA 0.356 4.705 4.350 -0.002 0.000 0.249 231 T C 0.209 174.892 174.700 -0.028 0.000 1.089 231 T CA -0.004 62.087 62.100 -0.016 0.000 0.989 231 T CB -0.185 68.678 68.868 -0.007 0.000 0.992 231 T HN 0.507 nan 8.240 nan 0.000 0.540 232 K N 1.635 122.009 120.400 -0.043 0.000 2.400 232 K HA 0.511 4.830 4.320 -0.002 0.000 0.246 232 K C -3.011 173.504 176.600 -0.141 0.000 0.995 232 K CA -2.826 53.413 56.287 -0.080 0.000 0.840 232 K CB 1.771 34.243 32.500 -0.048 0.000 1.293 232 K HN -0.083 nan 8.250 nan 0.000 0.445 233 P HA -0.076 nan 4.420 nan 0.000 0.265 233 P C -0.632 176.458 177.300 -0.351 0.000 1.187 233 P CA -0.169 62.677 63.100 -0.422 0.000 0.766 233 P CB 0.478 31.643 31.700 -0.892 0.000 0.820 234 C N 4.921 124.114 119.300 -0.178 0.000 2.408 234 C HA 0.620 5.079 4.460 -0.002 0.000 0.321 234 C C -0.578 174.423 174.990 0.019 0.000 1.245 234 C CA -0.701 58.311 59.018 -0.009 0.000 1.523 234 C CB 0.052 27.753 27.740 -0.065 0.000 2.178 234 C HN 0.577 nan 8.230 nan 0.000 0.488 235 L N 7.312 128.579 121.223 0.075 0.000 2.296 235 L HA 0.693 5.032 4.340 -0.002 0.000 0.286 235 L C -0.652 176.133 176.870 -0.142 0.000 1.023 235 L CA -0.017 54.729 54.840 -0.158 0.000 0.812 235 L CB 1.001 42.772 42.059 -0.480 0.000 1.223 235 L HN 0.650 nan 8.230 nan 0.000 0.421 236 I N 6.658 127.138 120.570 -0.149 0.000 2.328 236 I HA 0.315 4.484 4.170 -0.002 0.000 0.287 236 I C -0.345 175.698 176.117 -0.125 0.000 1.012 236 I CA -0.330 60.897 61.300 -0.121 0.000 1.195 236 I CB 1.085 39.019 38.000 -0.111 0.000 1.350 236 I HN 0.508 nan 8.210 nan 0.000 0.464 237 I N 6.479 126.983 120.570 -0.111 0.000 2.308 237 I HA 0.300 4.469 4.170 -0.002 0.000 0.293 237 I C 0.546 176.548 176.117 -0.191 0.000 1.078 237 I CA -0.102 61.127 61.300 -0.117 0.000 1.292 237 I CB 0.759 38.730 38.000 -0.048 0.000 1.423 237 I HN 0.590 nan 8.210 nan 0.000 0.493 238 A N 7.189 129.846 122.820 -0.271 0.000 2.280 238 A HA 0.336 4.655 4.320 -0.002 0.000 0.320 238 A C 0.005 177.397 177.584 -0.321 0.000 1.366 238 A CA -0.674 51.202 52.037 -0.269 0.000 0.938 238 A CB 0.388 19.233 19.000 -0.258 0.000 1.157 238 A HN 0.717 nan 8.150 nan 0.000 0.536 239 K N 2.484 122.725 120.400 -0.264 0.000 2.349 239 K HA 0.363 4.682 4.320 -0.002 0.000 0.288 239 K C 0.146 176.584 176.600 -0.269 0.000 1.058 239 K CA 0.416 56.561 56.287 -0.237 0.000 0.953 239 K CB 0.310 32.717 32.500 -0.155 0.000 0.997 239 K HN 0.798 nan 8.250 nan 0.000 0.477 240 T N -0.139 114.278 114.554 -0.229 0.000 2.901 240 T HA 0.351 4.700 4.350 -0.002 0.000 0.293 240 T C -0.483 174.254 174.700 0.060 0.000 1.084 240 T CA -0.893 61.092 62.100 -0.191 0.000 1.008 240 T CB 1.736 70.459 68.868 -0.241 0.000 1.170 240 T HN 0.310 nan 8.240 nan 0.000 0.509 241 T N 2.212 116.966 114.554 0.333 0.000 2.743 241 T HA 0.443 4.792 4.350 -0.002 0.000 0.292 241 T C 0.307 175.066 174.700 0.098 0.000 0.972 241 T CA -0.530 61.655 62.100 0.141 0.000 0.967 241 T CB 0.287 69.188 68.868 0.054 0.000 0.926 241 T HN 0.687 nan 8.240 nan 0.000 0.459 242 I N 3.048 123.652 120.570 0.056 0.000 2.710 242 I HA 0.255 4.424 4.170 -0.002 0.000 0.286 242 I C 0.997 177.132 176.117 0.029 0.000 1.181 242 I CA 0.477 61.810 61.300 0.055 0.000 1.430 242 I CB 0.274 38.316 38.000 0.070 0.000 1.367 242 I HN 0.983 nan 8.210 nan 0.000 0.577 243 A N 4.320 127.154 122.820 0.024 0.000 2.860 243 A HA -0.265 4.054 4.320 -0.002 0.000 0.267 243 A C 0.686 178.244 177.584 -0.043 0.000 1.421 243 A CA 1.141 53.175 52.037 -0.006 0.000 0.831 243 A CB -1.997 17.003 19.000 -0.000 0.000 1.041 243 A HN 0.792 nan 8.150 nan 0.000 0.623 244 K N -0.041 120.318 120.400 -0.069 0.000 2.504 244 K HA 0.348 4.667 4.320 -0.002 0.000 0.278 244 K C 1.526 178.032 176.600 -0.157 0.000 1.025 244 K CA 1.899 58.081 56.287 -0.176 0.000 1.093 244 K CB -0.429 31.842 32.500 -0.381 0.000 0.873 244 K HN 1.872 nan 8.250 nan 0.000 0.483 245 G N 2.374 111.097 108.800 -0.128 0.000 2.213 245 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.226 245 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.226 245 G C 0.447 175.343 174.900 -0.006 0.000 0.992 245 G CA 0.143 45.199 45.100 -0.073 0.000 0.632 245 G HN 0.960 nan 8.290 nan 0.000 0.511 246 A N 0.462 123.273 122.820 -0.015 0.000 2.684 246 A HA 0.684 5.003 4.320 -0.002 0.000 0.288 246 A C 2.239 179.823 177.584 -0.000 0.000 1.337 246 A CA 1.359 53.403 52.037 0.011 0.000 0.946 246 A CB -0.797 18.207 19.000 0.008 0.000 1.093 246 A HN 2.379 nan 8.150 nan 0.000 0.543 247 G N 0.906 109.702 108.800 -0.005 0.000 2.646 247 G HA2 -0.422 3.537 3.960 -0.002 0.000 0.324 247 G HA3 -0.422 3.537 3.960 -0.002 0.000 0.324 247 G C 0.884 175.778 174.900 -0.011 0.000 1.195 247 G CA 0.841 45.937 45.100 -0.007 0.000 0.976 247 G HN 0.528 nan 8.290 nan 0.000 0.546 248 E N 0.575 120.769 120.200 -0.010 0.000 2.338 248 E HA 0.114 4.463 4.350 -0.002 0.000 0.197 248 E C 2.461 179.049 176.600 -0.019 0.000 1.007 248 E CA 0.630 57.023 56.400 -0.013 0.000 0.849 248 E CB -0.034 29.659 29.700 -0.012 0.000 0.774 248 E HN 0.466 nan 8.360 nan 0.000 0.506 249 L N 0.959 122.170 121.223 -0.019 0.000 2.592 249 L HA 0.076 4.415 4.340 -0.002 0.000 0.227 249 L C 0.505 177.363 176.870 -0.021 0.000 1.127 249 L CA -0.054 54.770 54.840 -0.025 0.000 0.884 249 L CB 0.077 42.123 42.059 -0.023 0.000 1.065 249 L HN -0.008 nan 8.230 nan 0.000 0.457 250 E N 0.706 120.895 120.200 -0.019 0.000 2.480 250 E HA 0.069 4.418 4.350 -0.002 0.000 0.258 250 E C 1.092 177.687 176.600 -0.009 0.000 0.984 250 E CA 0.728 57.116 56.400 -0.020 0.000 0.930 250 E CB 0.438 30.119 29.700 -0.031 0.000 0.936 250 E HN 0.352 nan 8.360 nan 0.000 0.466 251 G N 3.009 111.810 108.800 0.003 0.000 2.184 251 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.264 251 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.264 251 G C 0.370 175.284 174.900 0.024 0.000 0.975 251 G CA 0.499 45.610 45.100 0.017 0.000 0.642 251 G HN 0.522 nan 8.290 nan 0.000 0.536 252 S N 0.631 116.330 115.700 -0.001 0.000 2.475 252 S HA 0.472 4.941 4.470 -0.002 0.000 0.281 252 S C 1.801 176.378 174.600 -0.039 0.000 1.198 252 S CA 0.397 58.569 58.200 -0.047 0.000 1.063 252 S CB 0.336 63.474 63.200 -0.104 0.000 0.972 252 S HN 0.573 nan 8.310 nan 0.000 0.486 253 H N 4.642 123.730 119.070 0.030 0.000 2.489 253 H HA 0.005 4.560 4.556 -0.002 0.000 0.293 253 H C 1.070 176.439 175.328 0.068 0.000 1.066 253 H CA 1.215 57.286 56.048 0.039 0.000 1.305 253 H CB -0.092 29.678 29.762 0.013 0.000 1.386 253 H HN 0.627 nan 8.280 nan 0.000 0.551 254 K N 1.156 121.281 120.400 -0.459 0.000 2.280 254 K HA -0.074 4.245 4.320 -0.002 0.000 0.202 254 K C 2.336 178.904 176.600 -0.052 0.000 1.047 254 K CA 1.234 57.390 56.287 -0.219 0.000 0.942 254 K CB 0.075 32.414 32.500 -0.267 0.000 0.739 254 K HN 0.426 nan 8.250 nan 0.000 0.457 255 S N -0.153 115.533 115.700 -0.024 0.000 2.561 255 S HA -0.118 4.351 4.470 -0.002 0.000 0.225 255 S C 1.725 176.367 174.600 0.071 0.000 0.977 255 S CA 0.650 58.859 58.200 0.015 0.000 0.926 255 S CB -0.257 62.952 63.200 0.014 0.000 0.769 255 S HN 0.412 nan 8.310 nan 0.000 0.533 256 H N 2.065 121.157 119.070 0.037 0.000 2.321 256 H HA 0.144 4.699 4.556 -0.002 0.000 0.300 256 H C 1.653 177.046 175.328 0.108 0.000 1.087 256 H CA 1.927 58.026 56.048 0.086 0.000 1.319 256 H CB -0.614 29.195 29.762 0.078 0.000 1.379 256 H HN 0.468 nan 8.280 nan 0.000 0.501 257 G N -1.555 107.188 108.800 -0.096 0.000 4.110 257 G HA2 0.580 4.539 3.960 -0.002 0.000 0.292 257 G HA3 0.580 4.539 3.960 -0.002 0.000 0.292 257 G C -0.686 174.046 174.900 -0.281 0.000 1.020 257 G CA 0.284 45.168 45.100 -0.360 0.000 0.808 257 G HN 0.634 nan 8.290 nan 0.000 0.474 258 A N 0.173 122.904 122.820 -0.148 0.000 2.556 258 A HA 0.899 5.218 4.320 -0.002 0.000 0.294 258 A C -3.075 174.473 177.584 -0.058 0.000 1.091 258 A CA -1.445 50.534 52.037 -0.097 0.000 0.704 258 A CB 1.496 20.465 19.000 -0.051 0.000 1.300 258 A HN -0.007 nan 8.150 nan 0.000 0.406 259 P HA 0.131 nan 4.420 nan 0.000 0.266 259 P C 0.757 178.051 177.300 -0.010 0.000 1.193 259 P CA 0.003 63.099 63.100 -0.007 0.000 0.770 259 P CB 0.396 32.100 31.700 0.007 0.000 0.836 260 L N 1.243 122.463 121.223 -0.004 0.000 2.141 260 L HA 0.063 4.402 4.340 -0.002 0.000 0.209 260 L C 1.203 178.070 176.870 -0.006 0.000 1.094 260 L CA 1.250 56.087 54.840 -0.005 0.000 0.763 260 L CB -1.021 41.041 42.059 0.004 0.000 0.908 260 L HN 0.735 nan 8.230 nan 0.000 0.437 261 G N -0.214 108.584 108.800 -0.004 0.000 2.697 261 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.686 261 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.686 261 G C 0.077 174.973 174.900 -0.007 0.000 1.179 261 G CA -0.329 44.769 45.100 -0.005 0.000 0.765 261 G HN 0.201 nan 8.290 nan 0.000 0.649 262 E N 0.263 120.458 120.200 -0.007 0.000 2.077 262 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 262 E C 2.098 178.685 176.600 -0.020 0.000 0.989 262 E CA 1.475 57.867 56.400 -0.013 0.000 0.800 262 E CB 0.052 29.748 29.700 -0.007 0.000 0.746 262 E HN 0.573 nan 8.360 nan 0.000 0.452 263 E N 0.421 120.611 120.200 -0.016 0.000 2.107 263 E HA -0.107 4.242 4.350 -0.002 0.000 0.191 263 E C 2.322 178.910 176.600 -0.020 0.000 0.982 263 E CA 0.507 56.896 56.400 -0.018 0.000 0.809 263 E CB -0.193 29.499 29.700 -0.013 0.000 0.756 263 E HN 0.111 nan 8.360 nan 0.000 0.459 264 V N 1.585 121.490 119.914 -0.014 0.000 2.343 264 V HA -0.230 3.889 4.120 -0.002 0.000 0.247 264 V C 2.392 178.481 176.094 -0.008 0.000 1.051 264 V CA 1.377 63.672 62.300 -0.008 0.000 1.036 264 V CB -0.411 31.410 31.823 -0.004 0.000 0.654 264 V HN 0.194 nan 8.190 nan 0.000 0.451 265 I N -0.581 119.979 120.570 -0.017 0.000 2.252 265 I HA -0.242 3.927 4.170 -0.002 0.000 0.245 265 I C 2.531 178.581 176.117 -0.112 0.000 1.102 265 I CA 1.523 62.800 61.300 -0.038 0.000 1.385 265 I CB -0.408 37.566 38.000 -0.043 0.000 1.064 265 I HN 0.263 nan 8.210 nan 0.000 0.414 266 K N 1.010 121.357 120.400 -0.088 0.000 2.032 266 K HA -0.205 4.114 4.320 -0.002 0.000 0.209 266 K C 2.138 178.684 176.600 -0.090 0.000 1.048 266 K CA 1.529 57.757 56.287 -0.099 0.000 0.927 266 K CB -0.137 32.326 32.500 -0.061 0.000 0.712 266 K HN 0.263 nan 8.250 nan 0.000 0.441 267 K N 0.387 120.756 120.400 -0.052 0.000 2.057 267 K HA -0.119 4.200 4.320 -0.002 0.000 0.207 267 K C 2.238 178.826 176.600 -0.021 0.000 1.049 267 K CA 1.272 57.541 56.287 -0.030 0.000 0.931 267 K CB -0.166 32.326 32.500 -0.013 0.000 0.714 267 K HN 0.139 nan 8.250 nan 0.000 0.440 268 A N 1.898 124.712 122.820 -0.010 0.000 1.902 268 A HA -0.207 4.112 4.320 -0.002 0.000 0.217 268 A C 1.918 179.506 177.584 0.006 0.000 1.181 268 A CA 1.570 53.653 52.037 0.076 0.000 0.623 268 A CB -0.296 18.831 19.000 0.211 0.000 0.818 268 A HN 0.189 nan 8.150 nan 0.000 0.443 269 K N -0.379 119.806 120.400 -0.358 0.000 2.026 269 K HA -0.153 4.166 4.320 -0.002 0.000 0.208 269 K C 2.023 178.556 176.600 -0.111 0.000 1.048 269 K CA 1.590 57.532 56.287 -0.575 0.000 0.929 269 K CB -0.217 31.906 32.500 -0.629 0.000 0.713 269 K HN 0.611 nan 8.250 nan 0.000 0.439 270 E N 0.922 121.080 120.200 -0.070 0.000 2.070 270 E HA -0.252 4.097 4.350 -0.002 0.000 0.197 270 E C 2.162 178.788 176.600 0.044 0.000 1.004 270 E CA 1.360 57.758 56.400 -0.003 0.000 0.805 270 E CB -0.025 29.667 29.700 -0.014 0.000 0.744 270 E HN 0.335 nan 8.360 nan 0.000 0.451 271 Q N -0.380 119.449 119.800 0.049 0.000 2.226 271 Q HA -0.082 4.257 4.340 -0.002 0.000 0.204 271 Q C 1.823 177.894 176.000 0.119 0.000 0.975 271 Q CA 1.104 56.949 55.803 0.071 0.000 0.866 271 Q CB 0.032 28.805 28.738 0.059 0.000 0.915 271 Q HN 0.192 nan 8.270 nan 0.000 0.440 272 A N -0.243 122.687 122.820 0.185 0.000 2.275 272 A HA 0.334 4.653 4.320 -0.002 0.000 0.212 272 A C 1.406 179.218 177.584 0.380 0.000 1.201 272 A CA 0.666 52.878 52.037 0.292 0.000 0.843 272 A CB -0.065 19.183 19.000 0.413 0.000 0.873 272 A HN 0.422 nan 8.150 nan 0.000 0.492 273 G N -1.835 107.122 108.800 0.262 0.000 2.136 273 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.242 273 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.242 273 G C -0.111 174.912 174.900 0.206 0.000 0.989 273 G CA 0.247 45.466 45.100 0.199 0.000 0.682 273 G HN 0.283 nan 8.290 nan 0.000 0.522 274 F N 0.855 120.805 119.950 0.001 0.000 2.399 274 F HA 0.522 5.048 4.527 -0.001 0.000 0.328 274 F C 0.674 176.394 175.800 -0.133 0.000 1.084 274 F CA -1.480 56.487 58.000 -0.054 0.000 1.053 274 F CB 1.124 40.054 39.000 -0.117 0.000 1.209 274 F HN 0.008 nan 8.300 nan 0.000 0.502 275 D N 4.532 124.913 120.400 -0.032 0.000 2.382 275 D HA 0.076 4.715 4.640 -0.002 0.000 0.259 275 D C -1.596 174.659 176.300 -0.075 0.000 1.224 275 D CA -1.852 52.100 54.000 -0.080 0.000 0.894 275 D CB 1.192 41.902 40.800 -0.151 0.000 1.127 275 D HN 0.165 nan 8.370 nan 0.000 0.487 276 P HA -0.049 nan 4.420 nan 0.000 0.230 276 P C 0.241 177.494 177.300 -0.078 0.000 1.158 276 P CA 0.447 63.485 63.100 -0.103 0.000 0.769 276 P CB 0.472 32.123 31.700 -0.083 0.000 0.807 277 N N 0.226 118.890 118.700 -0.060 0.000 2.235 277 N HA 0.161 4.900 4.740 -0.002 0.000 0.209 277 N C 0.666 176.160 175.510 -0.026 0.000 1.122 277 N CA -0.036 52.991 53.050 -0.038 0.000 0.845 277 N CB 0.497 38.966 38.487 -0.030 0.000 1.004 277 N HN 0.389 nan 8.380 nan 0.000 0.499 278 I N -2.654 117.896 120.570 -0.034 0.000 2.689 278 I HA 0.611 4.780 4.170 -0.002 0.000 0.299 278 I C -0.559 175.580 176.117 0.037 0.000 1.059 278 I CA -0.691 60.612 61.300 0.006 0.000 1.055 278 I CB 2.257 40.243 38.000 -0.023 0.000 1.243 278 I HN -0.335 nan 8.210 nan 0.000 0.425 279 S N 3.183 118.947 115.700 0.107 0.000 2.638 279 S HA 0.672 5.141 4.470 -0.002 0.000 0.302 279 S C -0.557 174.203 174.600 0.266 0.000 1.096 279 S CA -0.427 57.830 58.200 0.094 0.000 0.953 279 S CB 1.064 64.321 63.200 0.096 0.000 1.107 279 S HN 0.743 nan 8.310 nan 0.000 0.503 280 F N 0.474 120.501 119.950 0.129 0.000 3.067 280 F HA -0.186 4.340 4.527 -0.002 0.000 0.279 280 F C 0.271 176.178 175.800 0.178 0.000 0.945 280 F CA 0.523 58.595 58.000 0.120 0.000 0.948 280 F CB -1.866 37.167 39.000 0.054 0.000 0.898 280 F HN 0.654 nan 8.300 nan 0.000 0.746 281 H N 1.375 120.583 119.070 0.229 0.000 2.489 281 H HA 0.719 5.274 4.556 -0.002 0.000 0.322 281 H C -0.169 175.320 175.328 0.269 0.000 1.091 281 H CA -0.677 55.506 56.048 0.225 0.000 1.291 281 H CB 0.701 30.590 29.762 0.210 0.000 1.436 281 H HN 0.232 nan 8.280 nan 0.000 0.480 282 I N 8.143 128.478 120.570 -0.392 0.000 2.420 282 I HA 0.268 4.437 4.170 -0.002 0.000 0.282 282 I C -2.259 173.578 176.117 -0.467 0.000 1.019 282 I CA -2.143 59.022 61.300 -0.225 0.000 1.130 282 I CB 1.581 39.583 38.000 0.003 0.000 1.262 282 I HN 0.525 nan 8.210 nan 0.000 0.454 283 P HA 0.072 nan 4.420 nan 0.000 0.269 283 P C 0.483 177.746 177.300 -0.060 0.000 1.215 283 P CA -0.326 62.661 63.100 -0.187 0.000 0.780 283 P CB 0.732 32.377 31.700 -0.091 0.000 0.898 284 Q N 1.619 121.403 119.800 -0.027 0.000 2.045 284 Q HA -0.223 4.116 4.340 -0.002 0.000 0.206 284 Q C 2.045 178.049 176.000 0.007 0.000 0.991 284 Q CA 2.538 58.339 55.803 -0.004 0.000 0.851 284 Q CB -1.119 27.621 28.738 0.003 0.000 0.911 284 Q HN 0.615 nan 8.270 nan 0.000 0.418 285 A N 0.233 123.058 122.820 0.007 0.000 1.902 285 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 285 A C 2.471 180.061 177.584 0.010 0.000 1.181 285 A CA 1.937 53.977 52.037 0.005 0.000 0.623 285 A CB -0.535 18.466 19.000 0.001 0.000 0.818 285 A HN 0.336 nan 8.150 nan 0.000 0.443 286 S N -0.734 114.992 115.700 0.044 0.000 2.368 286 S HA -0.125 4.344 4.470 -0.002 0.000 0.224 286 S C 2.009 176.712 174.600 0.172 0.000 1.029 286 S CA 1.415 59.671 58.200 0.094 0.000 0.988 286 S CB -0.224 63.111 63.200 0.225 0.000 0.838 286 S HN 0.669 nan 8.310 nan 0.000 0.462 287 K N 1.109 121.584 120.400 0.125 0.000 2.009 287 K HA -0.115 4.204 4.320 -0.002 0.000 0.210 287 K C 1.958 178.600 176.600 0.070 0.000 1.049 287 K CA 1.529 57.878 56.287 0.102 0.000 0.929 287 K CB -0.316 32.206 32.500 0.037 0.000 0.714 287 K HN 0.310 nan 8.250 nan 0.000 0.440 288 I N 0.384 120.972 120.570 0.030 0.000 2.252 288 I HA -0.237 3.932 4.170 -0.002 0.000 0.245 288 I C 2.676 178.787 176.117 -0.011 0.000 1.102 288 I CA 0.933 62.234 61.300 0.002 0.000 1.385 288 I CB -0.229 37.766 38.000 -0.007 0.000 1.064 288 I HN 0.161 nan 8.210 nan 0.000 0.414 289 R N 1.155 121.635 120.500 -0.033 0.000 2.073 289 R HA -0.156 4.183 4.340 -0.002 0.000 0.234 289 R C 2.074 178.297 176.300 -0.128 0.000 1.134 289 R CA 1.893 57.928 56.100 -0.109 0.000 0.952 289 R CB -0.894 29.306 30.300 -0.165 0.000 0.850 289 R HN 0.131 nan 8.270 nan 0.000 0.433 290 F N 0.950 120.869 119.950 -0.051 0.000 2.134 290 F HA -0.066 4.461 4.527 -0.001 0.000 0.299 290 F C 2.306 178.047 175.800 -0.097 0.000 1.097 290 F CA 1.859 59.824 58.000 -0.059 0.000 1.264 290 F CB -0.507 38.481 39.000 -0.020 0.000 1.001 290 F HN 0.256 nan 8.300 nan 0.000 0.479 291 E N 0.071 120.321 120.200 0.084 0.000 2.347 291 E HA -0.147 4.202 4.350 -0.002 0.000 0.196 291 E C 2.104 178.670 176.600 -0.056 0.000 1.008 291 E CA 0.876 57.264 56.400 -0.021 0.000 0.852 291 E CB -0.055 29.620 29.700 -0.041 0.000 0.783 291 E HN 0.390 nan 8.360 nan 0.000 0.505 292 S N -0.096 115.574 115.700 -0.050 0.000 2.469 292 S HA -0.076 4.393 4.470 -0.002 0.000 0.238 292 S C 2.053 176.597 174.600 -0.093 0.000 0.998 292 S CA 0.685 58.843 58.200 -0.071 0.000 0.957 292 S CB -0.065 63.095 63.200 -0.068 0.000 0.764 292 S HN 0.339 nan 8.310 nan 0.000 0.514 293 A N 1.525 124.287 122.820 -0.097 0.000 1.986 293 A HA -0.015 4.304 4.320 -0.002 0.000 0.220 293 A C 2.314 179.757 177.584 -0.235 0.000 1.171 293 A CA 1.773 53.713 52.037 -0.161 0.000 0.640 293 A CB -1.121 17.784 19.000 -0.159 0.000 0.811 293 A HN 0.494 nan 8.150 nan 0.000 0.451 294 V N -0.175 119.619 119.914 -0.200 0.000 2.237 294 V HA -0.280 3.839 4.120 -0.002 0.000 0.245 294 V C 2.557 178.548 176.094 -0.172 0.000 1.046 294 V CA 2.341 64.516 62.300 -0.208 0.000 1.007 294 V CB -0.697 31.023 31.823 -0.171 0.000 0.638 294 V HN 0.800 nan 8.190 nan 0.000 0.445 295 E N -0.096 120.026 120.200 -0.130 0.000 2.072 295 E HA -0.192 4.157 4.350 -0.002 0.000 0.191 295 E C 2.242 178.776 176.600 -0.109 0.000 0.985 295 E CA 1.223 57.558 56.400 -0.108 0.000 0.801 295 E CB -0.100 29.553 29.700 -0.080 0.000 0.750 295 E HN 0.570 nan 8.360 nan 0.000 0.452 296 L N 0.085 121.245 121.223 -0.105 0.000 2.046 296 L HA -0.085 4.254 4.340 -0.002 0.000 0.208 296 L C 2.648 179.452 176.870 -0.110 0.000 1.077 296 L CA 1.247 56.037 54.840 -0.083 0.000 0.747 296 L CB -0.557 41.467 42.059 -0.057 0.000 0.896 296 L HN 0.278 nan 8.230 nan 0.000 0.432 297 G N -0.500 108.199 108.800 -0.168 0.000 2.408 297 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.217 297 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.217 297 G C 1.181 175.912 174.900 -0.280 0.000 1.150 297 G CA 0.985 45.958 45.100 -0.212 0.000 0.776 297 G HN 0.398 nan 8.290 nan 0.000 0.542 298 D N -0.269 119.991 120.400 -0.233 0.000 2.117 298 D HA -0.107 4.532 4.640 -0.002 0.000 0.197 298 D C 2.330 178.502 176.300 -0.214 0.000 0.987 298 D CA 0.544 54.408 54.000 -0.227 0.000 0.829 298 D CB -0.112 40.588 40.800 -0.166 0.000 0.961 298 D HN 0.099 nan 8.370 nan 0.000 0.460 299 L N 0.904 122.031 121.223 -0.159 0.000 2.056 299 L HA -0.059 4.280 4.340 -0.002 0.000 0.207 299 L C 2.260 179.053 176.870 -0.129 0.000 1.078 299 L CA 1.501 56.272 54.840 -0.115 0.000 0.749 299 L CB -1.123 40.894 42.059 -0.069 0.000 0.901 299 L HN 0.177 nan 8.230 nan 0.000 0.433 300 E N -0.461 119.642 120.200 -0.161 0.000 2.077 300 E HA -0.267 4.082 4.350 -0.002 0.000 0.193 300 E C 2.023 178.389 176.600 -0.390 0.000 0.989 300 E CA 1.158 57.474 56.400 -0.141 0.000 0.800 300 E CB 0.017 29.704 29.700 -0.022 0.000 0.746 300 E HN 0.572 nan 8.360 nan 0.000 0.452 301 E N 0.525 120.231 120.200 -0.824 0.000 2.106 301 E HA -0.124 4.225 4.350 -0.002 0.000 0.192 301 E C 1.998 178.401 176.600 -0.329 0.000 0.984 301 E CA 0.832 56.584 56.400 -1.079 0.000 0.806 301 E CB 0.019 28.991 29.700 -1.212 0.000 0.750 301 E HN 0.167 nan 8.360 nan 0.000 0.458 302 A N 1.440 124.127 122.820 -0.220 0.000 1.902 302 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 302 A C 2.029 179.600 177.584 -0.020 0.000 1.181 302 A CA 1.714 53.695 52.037 -0.092 0.000 0.623 302 A CB -0.360 18.586 19.000 -0.090 0.000 0.818 302 A HN 0.152 nan 8.150 nan 0.000 0.443 303 K N -1.981 118.421 120.400 0.003 0.000 2.057 303 K HA -0.207 4.112 4.320 -0.002 0.000 0.207 303 K C 1.815 178.491 176.600 0.125 0.000 1.049 303 K CA 1.604 57.925 56.287 0.058 0.000 0.931 303 K CB -0.266 32.282 32.500 0.081 0.000 0.714 303 K HN 0.728 nan 8.250 nan 0.000 0.440 304 W N 2.367 123.683 121.300 0.027 0.000 2.381 304 W HA -0.124 4.535 4.660 -0.002 0.000 0.301 304 W C 1.560 178.135 176.519 0.094 0.000 1.205 304 W CA 1.318 58.748 57.345 0.142 0.000 1.285 304 W CB 0.136 29.825 29.460 0.381 0.000 1.133 304 W HN -0.132 nan 8.180 nan 0.000 0.521 305 K N -0.096 120.387 120.400 0.139 0.000 2.147 305 K HA -0.187 4.132 4.320 -0.002 0.000 0.205 305 K C 1.478 177.985 176.600 -0.156 0.000 1.049 305 K CA 1.666 57.922 56.287 -0.051 0.000 0.936 305 K CB -0.390 32.146 32.500 0.059 0.000 0.722 305 K HN 0.128 nan 8.250 nan 0.000 0.446 306 D N 0.872 121.214 120.400 -0.097 0.000 2.144 306 D HA -0.114 4.525 4.640 -0.002 0.000 0.200 306 D C 1.668 177.885 176.300 -0.137 0.000 0.978 306 D CA 1.143 55.087 54.000 -0.092 0.000 0.833 306 D CB 0.027 40.799 40.800 -0.047 0.000 0.961 306 D HN 0.185 nan 8.370 nan 0.000 0.470 307 K N 0.183 120.470 120.400 -0.187 0.000 2.057 307 K HA -0.106 4.213 4.320 -0.002 0.000 0.207 307 K C 2.074 178.492 176.600 -0.303 0.000 1.049 307 K CA 0.371 56.528 56.287 -0.217 0.000 0.931 307 K CB -0.169 32.202 32.500 -0.215 0.000 0.714 307 K HN 0.042 nan 8.250 nan 0.000 0.440 308 L N 1.903 122.823 121.223 -0.504 0.000 2.046 308 L HA -0.191 4.148 4.340 -0.002 0.000 0.208 308 L C 2.226 178.955 176.870 -0.234 0.000 1.077 308 L CA 1.910 56.476 54.840 -0.456 0.000 0.747 308 L CB -0.446 41.220 42.059 -0.656 0.000 0.896 308 L HN 0.089 nan 8.230 nan 0.000 0.432 309 E N 0.060 120.148 120.200 -0.186 0.000 2.110 309 E HA -0.227 4.122 4.350 -0.002 0.000 0.193 309 E C 2.089 178.636 176.600 -0.087 0.000 0.988 309 E CA 1.570 57.904 56.400 -0.110 0.000 0.804 309 E CB -0.170 29.478 29.700 -0.086 0.000 0.745 309 E HN 0.505 nan 8.360 nan 0.000 0.458 310 K N 0.420 120.764 120.400 -0.094 0.000 2.366 310 K HA 0.033 4.352 4.320 -0.002 0.000 0.198 310 K C 0.836 177.398 176.600 -0.063 0.000 1.044 310 K CA 0.547 56.794 56.287 -0.067 0.000 0.973 310 K CB 0.006 32.470 32.500 -0.060 0.000 0.767 310 K HN 0.188 nan 8.250 nan 0.000 0.475 311 S N -0.330 115.321 115.700 -0.082 0.000 2.624 311 S HA 0.288 4.757 4.470 -0.002 0.000 0.263 311 S C 0.808 175.381 174.600 -0.044 0.000 1.287 311 S CA -0.422 57.740 58.200 -0.064 0.000 0.990 311 S CB 1.631 64.782 63.200 -0.081 0.000 0.950 311 S HN 0.129 nan 8.310 nan 0.000 0.561 312 A N 0.133 122.936 122.820 -0.028 0.000 2.379 312 A HA 0.299 4.618 4.320 -0.002 0.000 0.236 312 A C 1.166 178.743 177.584 -0.012 0.000 1.272 312 A CA -0.356 51.670 52.037 -0.018 0.000 0.886 312 A CB -0.247 18.747 19.000 -0.011 0.000 0.962 312 A HN 0.612 nan 8.150 nan 0.000 0.504 313 K N 0.169 120.560 120.400 -0.016 0.000 2.373 313 K HA 0.172 4.491 4.320 -0.002 0.000 0.202 313 K C 0.911 177.510 176.600 -0.003 0.000 1.025 313 K CA 0.055 56.341 56.287 -0.002 0.000 1.115 313 K CB 0.264 32.770 32.500 0.009 0.000 0.858 313 K HN 0.468 nan 8.250 nan 0.000 0.525 314 K N 1.378 121.768 120.400 -0.017 0.000 2.032 314 K HA -0.137 4.182 4.320 -0.002 0.000 0.209 314 K C 1.677 178.278 176.600 0.002 0.000 1.048 314 K CA 1.423 57.701 56.287 -0.015 0.000 0.927 314 K CB 0.118 32.602 32.500 -0.026 0.000 0.712 314 K HN 0.218 nan 8.250 nan 0.000 0.441 315 E N 0.679 120.879 120.200 0.000 0.000 2.106 315 E HA -0.181 4.168 4.350 -0.002 0.000 0.192 315 E C 2.033 178.639 176.600 0.010 0.000 0.984 315 E CA 0.687 57.089 56.400 0.003 0.000 0.806 315 E CB -0.071 29.628 29.700 -0.000 0.000 0.750 315 E HN 0.105 nan 8.360 nan 0.000 0.458 316 L N 1.296 122.528 121.223 0.014 0.000 2.017 316 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 316 L C 2.229 179.116 176.870 0.030 0.000 1.073 316 L CA 1.415 56.269 54.840 0.023 0.000 0.745 316 L CB -0.613 41.463 42.059 0.028 0.000 0.894 316 L HN 0.124 nan 8.230 nan 0.000 0.432 317 L N -0.337 120.909 121.223 0.038 0.000 2.046 317 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 317 L C 2.444 179.341 176.870 0.044 0.000 1.077 317 L CA 1.748 56.621 54.840 0.054 0.000 0.747 317 L CB -0.938 41.171 42.059 0.085 0.000 0.896 317 L HN 0.338 nan 8.230 nan 0.000 0.432 318 E N -0.083 120.137 120.200 0.033 0.000 2.110 318 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 318 E C 2.332 178.939 176.600 0.012 0.000 0.988 318 E CA 1.111 57.526 56.400 0.025 0.000 0.804 318 E CB -0.181 29.529 29.700 0.017 0.000 0.745 318 E HN 0.573 nan 8.360 nan 0.000 0.458 319 R N 0.234 120.738 120.500 0.008 0.000 2.096 319 R HA -0.040 4.299 4.340 -0.002 0.000 0.235 319 R C 2.632 178.934 176.300 0.003 0.000 1.127 319 R CA 0.797 56.895 56.100 -0.002 0.000 0.968 319 R CB -0.360 29.941 30.300 0.002 0.000 0.861 319 R HN 0.160 nan 8.270 nan 0.000 0.440 320 L N 0.539 121.773 121.223 0.018 0.000 2.093 320 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 320 L C 2.196 179.080 176.870 0.024 0.000 1.085 320 L CA 1.067 55.919 54.840 0.021 0.000 0.755 320 L CB -0.252 41.805 42.059 -0.003 0.000 0.904 320 L HN 0.188 nan 8.230 nan 0.000 0.435 321 L N -0.871 120.366 121.223 0.024 0.000 2.418 321 L HA -0.011 4.328 4.340 -0.002 0.000 0.218 321 L C 0.471 177.353 176.870 0.021 0.000 1.125 321 L CA 0.544 55.404 54.840 0.034 0.000 0.835 321 L CB -0.058 42.027 42.059 0.044 0.000 0.953 321 L HN 0.317 nan 8.230 nan 0.000 0.454 322 N N 0.229 118.923 118.700 -0.010 0.000 2.723 322 N HA 0.234 4.973 4.740 -0.002 0.000 0.290 322 N C -2.485 172.951 175.510 -0.123 0.000 1.882 322 N CA -0.761 52.260 53.050 -0.048 0.000 0.851 322 N CB 0.936 39.405 38.487 -0.029 0.000 1.234 322 N HN 0.019 nan 8.380 nan 0.000 0.491 323 P HA 0.061 nan 4.420 nan 0.000 0.268 323 P C -0.458 176.489 177.300 -0.588 0.000 1.205 323 P CA 0.154 63.041 63.100 -0.356 0.000 0.771 323 P CB 1.233 32.704 31.700 -0.382 0.000 0.858 324 D N 2.164 122.322 120.400 -0.404 0.000 2.473 324 D HA 0.164 4.803 4.640 -0.002 0.000 0.226 324 D C 0.177 176.358 176.300 -0.197 0.000 1.089 324 D CA -0.572 53.258 54.000 -0.283 0.000 0.883 324 D CB -0.027 40.699 40.800 -0.123 0.000 1.029 324 D HN 0.041 nan 8.370 nan 0.000 0.517 325 F N 1.788 121.770 119.950 0.053 0.000 2.512 325 F HA 0.049 4.575 4.527 -0.002 0.000 0.296 325 F C 2.007 177.842 175.800 0.058 0.000 1.110 325 F CA 0.002 58.036 58.000 0.058 0.000 1.446 325 F CB -0.360 38.706 39.000 0.110 0.000 1.092 325 F HN 0.306 nan 8.300 nan 0.000 0.554 326 N N 1.147 119.959 118.700 0.187 0.000 2.270 326 N HA -0.146 4.593 4.740 -0.002 0.000 0.181 326 N C 1.747 177.307 175.510 0.084 0.000 1.016 326 N CA 1.117 54.246 53.050 0.132 0.000 0.870 326 N CB -0.359 38.180 38.487 0.086 0.000 0.979 326 N HN 0.441 nan 8.380 nan 0.000 0.431 327 K N 0.348 120.773 120.400 0.042 0.000 2.439 327 K HA 0.078 4.397 4.320 -0.002 0.000 0.197 327 K C 0.513 177.098 176.600 -0.026 0.000 1.041 327 K CA 0.403 56.691 56.287 0.002 0.000 0.970 327 K CB 0.048 32.535 32.500 -0.022 0.000 0.773 327 K HN 0.051 nan 8.250 nan 0.000 0.479 328 I N 2.465 123.011 120.570 -0.040 0.000 2.533 328 I HA 0.038 4.207 4.170 -0.002 0.000 0.284 328 I C -0.050 175.961 176.117 -0.176 0.000 1.109 328 I CA -0.527 60.658 61.300 -0.193 0.000 1.412 328 I CB 1.006 38.783 38.000 -0.372 0.000 1.396 328 I HN 0.186 nan 8.210 nan 0.000 0.543 329 A N 7.740 130.445 122.820 -0.190 0.000 2.294 329 A HA 0.466 4.785 4.320 -0.002 0.000 0.316 329 A C -0.684 176.789 177.584 -0.185 0.000 1.359 329 A CA -0.303 51.670 52.037 -0.106 0.000 0.956 329 A CB -0.127 18.822 19.000 -0.085 0.000 1.155 329 A HN 0.598 nan 8.150 nan 0.000 0.544 330 Y N 2.443 122.665 120.300 -0.129 0.000 2.298 330 Y HA 0.380 4.929 4.550 -0.002 0.000 0.329 330 Y C -1.489 174.273 175.900 -0.232 0.000 1.293 330 Y CA -1.535 56.464 58.100 -0.169 0.000 1.388 330 Y CB 0.193 38.576 38.460 -0.128 0.000 1.309 330 Y HN 0.516 nan 8.280 nan 0.000 0.544 331 P HA -0.009 nan 4.420 nan 0.000 0.269 331 P C -1.066 175.884 177.300 -0.584 0.000 1.215 331 P CA -0.186 62.610 63.100 -0.506 0.000 0.780 331 P CB 0.513 31.652 31.700 -0.935 0.000 0.898 332 D N 1.317 121.423 120.400 -0.491 0.000 2.428 332 D HA 0.163 4.802 4.640 -0.002 0.000 0.221 332 D C -0.488 175.629 176.300 -0.307 0.000 1.123 332 D CA -0.320 53.505 54.000 -0.293 0.000 0.869 332 D CB -0.212 40.498 40.800 -0.150 0.000 1.032 332 D HN 0.110 nan 8.370 nan 0.000 0.506 333 F N 1.880 121.824 119.950 -0.009 0.000 2.693 333 F HA 0.209 4.734 4.527 -0.002 0.000 0.303 333 F C 1.432 177.224 175.800 -0.013 0.000 1.097 333 F CA -0.462 57.530 58.000 -0.013 0.000 1.330 333 F CB -0.195 38.797 39.000 -0.014 0.000 1.067 333 F HN 0.167 nan 8.300 nan 0.000 0.565 334 K N 0.800 121.274 120.400 0.124 0.000 2.466 334 K HA 0.194 4.513 4.320 -0.002 0.000 0.278 334 K C 1.345 177.984 176.600 0.065 0.000 1.048 334 K CA 1.129 57.464 56.287 0.080 0.000 1.088 334 K CB -0.142 32.384 32.500 0.044 0.000 0.884 334 K HN 0.488 nan 8.250 nan 0.000 0.478 335 G N 3.444 112.276 108.800 0.055 0.000 2.184 335 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.264 335 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.264 335 G C -0.378 174.530 174.900 0.014 0.000 0.975 335 G CA 0.341 45.459 45.100 0.031 0.000 0.642 335 G HN 0.606 nan 8.290 nan 0.000 0.536 336 K N 1.370 121.793 120.400 0.038 0.000 2.263 336 K HA 0.374 4.693 4.320 -0.002 0.000 0.272 336 K C -0.910 175.672 176.600 -0.030 0.000 1.033 336 K CA -0.822 55.483 56.287 0.030 0.000 0.884 336 K CB 0.989 33.558 32.500 0.114 0.000 1.107 336 K HN 0.086 nan 8.250 nan 0.000 0.460 337 D N 3.710 124.065 120.400 -0.075 0.000 2.390 337 D HA 0.246 4.885 4.640 -0.002 0.000 0.249 337 D C -0.278 175.959 176.300 -0.106 0.000 1.144 337 D CA 0.080 54.002 54.000 -0.131 0.000 0.880 337 D CB 0.533 41.237 40.800 -0.160 0.000 1.182 337 D HN 0.239 nan 8.370 nan 0.000 0.451 338 L N -1.027 120.116 121.223 -0.133 0.000 2.710 338 L HA 0.736 5.075 4.340 -0.002 0.000 0.260 338 L C -0.726 176.064 176.870 -0.134 0.000 0.993 338 L CA -1.496 53.268 54.840 -0.126 0.000 0.877 338 L CB 0.920 42.881 42.059 -0.163 0.000 1.461 338 L HN 0.205 nan 8.230 nan 0.000 0.413 339 A N -0.072 122.683 122.820 -0.108 0.000 2.440 339 A HA 0.520 4.839 4.320 -0.002 0.000 0.251 339 A C 1.195 178.710 177.584 -0.115 0.000 1.089 339 A CA 0.350 52.328 52.037 -0.098 0.000 0.779 339 A CB 0.121 19.077 19.000 -0.073 0.000 1.022 339 A HN 1.138 nan 8.150 nan 0.000 0.492 340 T N -0.008 114.486 114.554 -0.100 0.000 3.035 340 T HA -0.150 4.199 4.350 -0.002 0.000 0.268 340 T C 1.560 176.225 174.700 -0.059 0.000 1.109 340 T CA 1.064 63.103 62.100 -0.102 0.000 1.119 340 T CB -0.367 68.462 68.868 -0.064 0.000 0.900 340 T HN 0.840 nan 8.240 nan 0.000 0.503 341 R N 1.598 122.084 120.500 -0.024 0.000 2.096 341 R HA -0.083 4.256 4.340 -0.002 0.000 0.235 341 R C 1.455 177.754 176.300 -0.001 0.000 1.127 341 R CA 1.741 57.855 56.100 0.024 0.000 0.968 341 R CB -0.586 29.761 30.300 0.077 0.000 0.861 341 R HN 0.262 nan 8.270 nan 0.000 0.440 342 D N 1.211 121.590 120.400 -0.035 0.000 2.120 342 D HA -0.097 4.542 4.640 -0.002 0.000 0.202 342 D C 2.260 178.509 176.300 -0.084 0.000 0.972 342 D CA 1.865 55.845 54.000 -0.033 0.000 0.837 342 D CB -0.195 40.585 40.800 -0.033 0.000 0.989 342 D HN 0.399 nan 8.370 nan 0.000 0.469 343 S N 0.926 116.477 115.700 -0.248 0.000 2.370 343 S HA -0.211 4.258 4.470 -0.002 0.000 0.226 343 S C 1.758 176.266 174.600 -0.153 0.000 1.033 343 S CA 1.186 59.089 58.200 -0.494 0.000 1.011 343 S CB -0.554 62.059 63.200 -0.978 0.000 0.852 343 S HN 0.213 nan 8.310 nan 0.000 0.457 344 N N 2.173 120.816 118.700 -0.096 0.000 2.120 344 N HA -0.088 4.651 4.740 -0.002 0.000 0.188 344 N C 1.987 177.453 175.510 -0.074 0.000 1.024 344 N CA 1.427 54.455 53.050 -0.036 0.000 0.852 344 N CB -0.801 37.688 38.487 0.003 0.000 1.003 344 N HN 0.564 nan 8.380 nan 0.000 0.424 345 G N 1.173 109.946 108.800 -0.044 0.000 2.422 345 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.218 345 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.218 345 G C 1.453 176.334 174.900 -0.030 0.000 1.146 345 G CA 0.418 45.492 45.100 -0.044 0.000 0.769 345 G HN 0.386 nan 8.290 nan 0.000 0.547 346 E N 0.273 120.497 120.200 0.040 0.000 2.110 346 E HA -0.076 4.273 4.350 -0.002 0.000 0.193 346 E C 2.581 179.168 176.600 -0.022 0.000 0.988 346 E CA 0.597 57.042 56.400 0.075 0.000 0.804 346 E CB -0.116 29.728 29.700 0.241 0.000 0.745 346 E HN 0.526 nan 8.360 nan 0.000 0.458 347 I N 1.020 121.559 120.570 -0.052 0.000 2.252 347 I HA -0.272 3.897 4.170 -0.002 0.000 0.245 347 I C 2.490 178.299 176.117 -0.513 0.000 1.102 347 I CA 0.841 61.994 61.300 -0.245 0.000 1.385 347 I CB -0.266 37.571 38.000 -0.271 0.000 1.064 347 I HN 0.047 nan 8.210 nan 0.000 0.414 348 L N 0.432 121.365 121.223 -0.483 0.000 2.079 348 L HA -0.251 4.088 4.340 -0.002 0.000 0.210 348 L C 2.343 179.025 176.870 -0.313 0.000 1.081 348 L CA 1.402 55.946 54.840 -0.494 0.000 0.752 348 L CB -0.755 41.047 42.059 -0.429 0.000 0.896 348 L HN 0.374 nan 8.230 nan 0.000 0.433 349 N N -0.372 118.207 118.700 -0.202 0.000 2.142 349 N HA -0.138 4.601 4.740 -0.002 0.000 0.186 349 N C 1.867 177.268 175.510 -0.182 0.000 1.023 349 N CA 1.311 54.291 53.050 -0.116 0.000 0.852 349 N CB -0.004 38.475 38.487 -0.013 0.000 0.998 349 N HN 0.140 nan 8.380 nan 0.000 0.424 350 V N 2.164 121.920 119.914 -0.263 0.000 2.343 350 V HA -0.181 3.938 4.120 -0.002 0.000 0.247 350 V C 2.433 178.264 176.094 -0.438 0.000 1.051 350 V CA 1.192 63.296 62.300 -0.325 0.000 1.036 350 V CB -0.430 31.166 31.823 -0.378 0.000 0.654 350 V HN 0.239 nan 8.190 nan 0.000 0.451 351 L N 0.053 120.890 121.223 -0.644 0.000 2.046 351 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 351 L C 2.721 179.230 176.870 -0.600 0.000 1.077 351 L CA 1.604 55.915 54.840 -0.881 0.000 0.747 351 L CB -0.819 40.223 42.059 -1.695 0.000 0.896 351 L HN 0.356 nan 8.230 nan 0.000 0.432 352 A N 0.015 122.634 122.820 -0.336 0.000 1.969 352 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 352 A C 2.311 179.893 177.584 -0.003 0.000 1.169 352 A CA 1.499 53.569 52.037 0.056 0.000 0.635 352 A CB -0.293 18.818 19.000 0.184 0.000 0.810 352 A HN 0.321 nan 8.150 nan 0.000 0.445 353 K N -0.358 119.993 120.400 -0.082 0.000 2.148 353 K HA -0.033 4.286 4.320 -0.002 0.000 0.204 353 K C 1.381 177.939 176.600 -0.070 0.000 1.050 353 K CA 1.210 57.459 56.287 -0.063 0.000 0.942 353 K CB -0.114 32.335 32.500 -0.085 0.000 0.724 353 K HN 0.441 nan 8.250 nan 0.000 0.446 354 N N 0.171 118.797 118.700 -0.122 0.000 2.392 354 N HA 0.043 4.782 4.740 -0.002 0.000 0.177 354 N C -0.171 175.311 175.510 -0.047 0.000 1.066 354 N CA 0.533 53.519 53.050 -0.108 0.000 0.895 354 N CB 0.546 38.926 38.487 -0.178 0.000 0.988 354 N HN 0.054 nan 8.380 nan 0.000 0.457 355 L N 1.088 122.307 121.223 -0.006 0.000 2.377 355 L HA 0.275 4.614 4.340 -0.002 0.000 0.270 355 L C 0.824 177.791 176.870 0.161 0.000 0.991 355 L CA -0.298 54.600 54.840 0.096 0.000 0.851 355 L CB 2.230 44.391 42.059 0.171 0.000 1.218 355 L HN -0.147 nan 8.230 nan 0.000 0.420 356 E N 2.255 122.533 120.200 0.130 0.000 2.265 356 E HA -0.121 4.228 4.350 -0.002 0.000 0.196 356 E C 1.708 178.440 176.600 0.220 0.000 0.996 356 E CA 1.157 57.643 56.400 0.143 0.000 0.832 356 E CB 0.220 29.977 29.700 0.096 0.000 0.756 356 E HN 0.883 nan 8.360 nan 0.000 0.491 357 G N -0.024 108.934 108.800 0.263 0.000 3.088 357 G HA2 -0.022 3.937 3.960 -0.002 0.000 0.217 357 G HA3 -0.022 3.937 3.960 -0.002 0.000 0.217 357 G C -0.140 175.045 174.900 0.475 0.000 1.159 357 G CA -0.554 44.767 45.100 0.369 0.000 0.760 357 G HN 0.076 nan 8.290 nan 0.000 0.550 358 F N 2.403 122.508 119.950 0.259 0.000 2.445 358 F HA 0.635 5.161 4.527 -0.002 0.000 0.359 358 F C 0.092 176.005 175.800 0.188 0.000 1.101 358 F CA -0.922 57.226 58.000 0.247 0.000 1.177 358 F CB 0.574 39.681 39.000 0.178 0.000 1.110 358 F HN 0.072 nan 8.300 nan 0.000 0.522 359 L N 3.927 124.996 121.223 -0.257 0.000 2.892 359 L HA 1.058 5.397 4.340 -0.002 0.000 0.269 359 L C -0.779 175.626 176.870 -0.776 0.000 1.058 359 L CA -0.592 54.078 54.840 -0.283 0.000 0.923 359 L CB 1.777 43.710 42.059 -0.211 0.000 1.518 359 L HN 0.782 nan 8.230 nan 0.000 0.402 360 G N -1.317 106.891 108.800 -0.987 0.000 2.344 360 G HA2 0.613 4.572 3.960 -0.002 0.000 0.282 360 G HA3 0.613 4.572 3.960 -0.002 0.000 0.282 360 G C -0.785 173.458 174.900 -1.095 0.000 1.281 360 G CA 0.206 44.407 45.100 -1.499 0.000 0.877 360 G HN 1.684 nan 8.290 nan 0.000 0.494 361 G N -1.553 106.747 108.800 -0.833 0.000 2.341 361 G HA2 0.696 4.655 3.960 -0.002 0.000 0.299 361 G HA3 0.696 4.655 3.960 -0.002 0.000 0.299 361 G C -1.096 173.879 174.900 0.124 0.000 1.274 361 G CA 0.973 45.965 45.100 -0.180 0.000 0.853 361 G HN 1.793 nan 8.290 nan 0.000 0.493 362 S N -1.485 114.323 115.700 0.181 0.000 2.600 362 S HA 0.693 5.162 4.470 -0.002 0.000 0.300 362 S C 0.256 174.964 174.600 0.180 0.000 1.087 362 S CA 0.410 58.705 58.200 0.157 0.000 0.965 362 S CB 1.486 64.753 63.200 0.113 0.000 1.089 362 S HN 1.911 nan 8.310 nan 0.000 0.496 363 A N 2.748 125.617 122.820 0.082 0.000 3.056 363 A HA 0.424 4.743 4.320 -0.002 0.000 0.274 363 A C 0.425 178.009 177.584 0.000 0.000 1.661 363 A CA 0.240 52.310 52.037 0.055 0.000 1.363 363 A CB -1.493 17.501 19.000 -0.011 0.000 1.139 363 A HN 1.112 nan 8.150 nan 0.000 0.598 364 D N -0.431 119.995 120.400 0.043 0.000 2.870 364 D HA -0.168 4.471 4.640 -0.002 0.000 0.228 364 D C 0.060 176.339 176.300 -0.036 0.000 1.147 364 D CA 1.427 55.436 54.000 0.015 0.000 0.757 364 D CB -1.428 39.364 40.800 -0.012 0.000 1.091 364 D HN 0.511 nan 8.370 nan 0.000 0.429 365 L N -1.445 119.746 121.223 -0.053 0.000 3.358 365 L HA 0.402 4.741 4.340 -0.002 0.000 0.301 365 L C 2.322 179.180 176.870 -0.020 0.000 1.276 365 L CA 0.078 54.842 54.840 -0.126 0.000 1.028 365 L CB 0.371 42.193 42.059 -0.395 0.000 1.421 365 L HN 0.186 nan 8.230 nan 0.000 0.604 366 G N 1.912 110.740 108.800 0.047 0.000 2.513 366 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.219 366 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.219 366 G C -0.777 174.176 174.900 0.088 0.000 1.160 366 G CA 1.061 46.210 45.100 0.081 0.000 0.767 366 G HN 0.280 nan 8.290 nan 0.000 0.571 367 P HA 0.029 nan 4.420 nan 0.000 0.218 367 P C 2.094 179.476 177.300 0.138 0.000 1.149 367 P CA 1.433 64.597 63.100 0.106 0.000 0.817 367 P CB 0.086 31.842 31.700 0.093 0.000 0.785 368 S N -0.983 114.807 115.700 0.151 0.000 2.421 368 S HA -0.001 4.468 4.470 -0.002 0.000 0.224 368 S C 1.555 176.349 174.600 0.325 0.000 1.035 368 S CA 0.705 59.066 58.200 0.268 0.000 0.953 368 S CB -0.670 62.706 63.200 0.294 0.000 0.810 368 S HN 0.178 nan 8.310 nan 0.000 0.497 369 N N 1.318 120.140 118.700 0.203 0.000 2.494 369 N HA 0.049 4.788 4.740 -0.002 0.000 0.182 369 N C -0.261 175.347 175.510 0.162 0.000 1.076 369 N CA 0.420 53.598 53.050 0.215 0.000 0.908 369 N CB -0.067 38.512 38.487 0.153 0.000 0.967 369 N HN 0.116 nan 8.380 nan 0.000 0.449 370 K N -0.295 120.187 120.400 0.136 0.000 3.125 370 K HA -0.123 4.196 4.320 -0.002 0.000 0.268 370 K C 0.509 177.137 176.600 0.045 0.000 1.078 370 K CA 0.985 57.330 56.287 0.096 0.000 0.775 370 K CB -2.759 29.797 32.500 0.094 0.000 1.253 370 K HN 0.512 nan 8.250 nan 0.000 0.486 371 T N -3.432 111.155 114.554 0.054 0.000 3.069 371 T HA 0.075 4.424 4.350 -0.002 0.000 0.252 371 T C 0.617 175.332 174.700 0.025 0.000 1.053 371 T CA -0.184 61.945 62.100 0.048 0.000 0.964 371 T CB 0.497 69.488 68.868 0.205 0.000 1.005 371 T HN 0.327 nan 8.240 nan 0.000 0.532 372 E N 1.639 121.800 120.200 -0.065 0.000 2.465 372 E HA 0.114 4.463 4.350 -0.002 0.000 0.260 372 E C -0.721 175.661 176.600 -0.363 0.000 0.980 372 E CA -0.184 56.101 56.400 -0.192 0.000 0.927 372 E CB 0.285 29.835 29.700 -0.250 0.000 0.934 372 E HN 0.473 nan 8.360 nan 0.000 0.459 373 L N 6.501 127.613 121.223 -0.184 0.000 2.288 373 L HA 0.196 4.535 4.340 -0.002 0.000 0.283 373 L C 0.111 176.916 176.870 -0.109 0.000 1.072 373 L CA -0.720 54.053 54.840 -0.111 0.000 0.862 373 L CB 0.223 42.307 42.059 0.040 0.000 1.245 373 L HN 0.475 nan 8.230 nan 0.000 0.432 374 H N 2.846 121.939 119.070 0.038 0.000 3.004 374 H HA 0.165 4.721 4.556 -0.002 0.000 0.316 374 H C 0.659 176.003 175.328 0.025 0.000 1.014 374 H CA 0.116 56.182 56.048 0.031 0.000 1.454 374 H CB 0.928 30.702 29.762 0.020 0.000 1.472 374 H HN 0.760 nan 8.280 nan 0.000 0.571 378 D N -0.200 120.242 120.400 0.070 0.000 2.193 378 D HA 0.484 5.123 4.640 -0.002 0.000 0.249 378 D C -0.016 176.336 176.300 0.087 0.000 1.034 378 D CA -0.232 53.836 54.000 0.115 0.000 0.902 378 D CB 1.744 42.667 40.800 0.206 0.000 1.182 378 D HN 0.259 nan 8.370 nan 0.000 0.436 379 F N 1.777 121.678 119.950 -0.081 0.000 2.629 379 F HA -0.060 4.466 4.527 -0.002 0.000 0.369 379 F C 1.213 177.002 175.800 -0.018 0.000 1.125 379 F CA 0.309 58.242 58.000 -0.113 0.000 1.330 379 F CB 0.774 39.617 39.000 -0.262 0.000 1.071 379 F HN 0.106 nan 8.300 nan 0.000 0.595 380 V N 4.671 124.288 119.914 -0.495 0.000 3.052 380 V HA -0.075 4.044 4.120 -0.002 0.000 0.254 380 V C 1.530 177.322 176.094 -0.503 0.000 1.100 380 V CA 1.563 63.157 62.300 -1.177 0.000 1.112 380 V CB -0.281 30.919 31.823 -1.039 0.000 0.738 380 V HN 0.867 nan 8.190 nan 0.000 0.469 381 E N 0.538 120.593 120.200 -0.242 0.000 2.150 381 E HA 0.099 4.448 4.350 -0.002 0.000 0.193 381 E C 1.206 177.757 176.600 -0.081 0.000 0.985 381 E CA 1.056 57.378 56.400 -0.129 0.000 0.814 381 E CB -0.243 29.416 29.700 -0.069 0.000 0.752 381 E HN 0.686 nan 8.360 nan 0.000 0.466 382 G N -0.578 108.183 108.800 -0.065 0.000 2.990 382 G HA2 0.267 4.226 3.960 -0.002 0.000 0.208 382 G HA3 0.267 4.226 3.960 -0.002 0.000 0.208 382 G C 0.185 175.075 174.900 -0.016 0.000 1.334 382 G CA -0.474 44.614 45.100 -0.019 0.000 1.024 382 G HN -0.080 nan 8.290 nan 0.000 0.574 383 K N -0.392 120.006 120.400 -0.003 0.000 2.348 383 K HA 0.136 4.455 4.320 -0.002 0.000 0.194 383 K C 0.059 176.596 176.600 -0.105 0.000 1.052 383 K CA -0.143 56.131 56.287 -0.022 0.000 1.004 383 K CB 0.280 32.799 32.500 0.032 0.000 0.873 383 K HN 0.221 nan 8.250 nan 0.000 0.523 384 N N 2.104 120.736 118.700 -0.112 0.000 2.411 384 N HA 0.151 4.890 4.740 -0.002 0.000 0.259 384 N C -0.557 174.694 175.510 -0.432 0.000 1.103 384 N CA 0.299 53.197 53.050 -0.253 0.000 0.954 384 N CB 0.991 39.354 38.487 -0.205 0.000 1.085 384 N HN 0.055 nan 8.380 nan 0.000 0.485 385 I N 2.336 122.540 120.570 -0.610 0.000 2.331 385 I HA 0.124 4.293 4.170 -0.002 0.000 0.292 385 I C 0.016 175.584 176.117 -0.914 0.000 0.998 385 I CA -0.640 60.154 61.300 -0.843 0.000 1.267 385 I CB 0.585 37.838 38.000 -1.245 0.000 1.386 385 I HN 0.315 nan 8.210 nan 0.000 0.476 386 H N 6.090 124.900 119.070 -0.433 0.000 2.746 386 H HA 0.230 4.785 4.556 -0.002 0.000 0.269 386 H C 0.080 175.249 175.328 -0.266 0.000 1.248 386 H CA -0.288 55.622 56.048 -0.230 0.000 1.258 386 H CB 0.331 30.034 29.762 -0.098 0.000 1.441 386 H HN 0.511 nan 8.280 nan 0.000 0.508 387 F N 1.530 121.445 119.950 -0.059 0.000 2.502 387 F HA 0.062 4.588 4.527 -0.002 0.000 0.298 387 F C 1.919 177.708 175.800 -0.019 0.000 1.111 387 F CA 0.950 58.907 58.000 -0.072 0.000 1.445 387 F CB -0.120 38.814 39.000 -0.109 0.000 1.081 387 F HN 0.805 nan 8.300 nan 0.000 0.558 388 G N 0.813 109.702 108.800 0.148 0.000 2.698 388 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.233 388 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.233 388 G C -0.413 174.520 174.900 0.056 0.000 1.352 388 G CA -0.434 44.715 45.100 0.082 0.000 0.879 388 G HN 0.067 nan 8.290 nan 0.000 0.567 389 I N 1.501 122.074 120.570 0.005 0.000 2.212 389 I HA 0.401 4.570 4.170 -0.002 0.000 0.285 389 I C 1.161 177.254 176.117 -0.038 0.000 1.116 389 I CA 0.471 61.737 61.300 -0.056 0.000 1.644 389 I CB 0.033 37.976 38.000 -0.096 0.000 1.485 389 I HN 0.395 nan 8.210 nan 0.000 0.728 390 R N 2.532 123.033 120.500 0.003 0.000 2.638 390 R HA 0.211 4.550 4.340 -0.002 0.000 0.261 390 R C 0.564 176.895 176.300 0.051 0.000 1.515 390 R CA -0.220 55.910 56.100 0.050 0.000 1.623 390 R CB 0.516 30.869 30.300 0.089 0.000 1.347 390 R HN 0.211 nan 8.270 nan 0.000 0.705 391 E N 0.078 120.302 120.200 0.040 0.000 2.085 391 E HA -0.229 4.120 4.350 -0.002 0.000 0.194 391 E C 1.545 178.249 176.600 0.173 0.000 0.994 391 E CA 1.379 57.825 56.400 0.076 0.000 0.801 391 E CB -0.042 29.714 29.700 0.094 0.000 0.743 391 E HN 0.373 nan 8.360 nan 0.000 0.453 392 H N 0.417 119.552 119.070 0.109 0.000 2.299 392 H HA 0.184 4.739 4.556 -0.002 0.000 0.302 392 H C 0.733 176.104 175.328 0.072 0.000 1.078 392 H CA 1.084 57.202 56.048 0.117 0.000 1.323 392 H CB -0.693 29.143 29.762 0.124 0.000 1.381 392 H HN 0.149 nan 8.280 nan 0.000 0.498 396 A N 0.525 123.415 122.820 0.116 0.000 1.930 396 A HA 0.089 4.408 4.320 -0.002 0.000 0.217 396 A C 1.928 179.498 177.584 -0.023 0.000 1.175 396 A CA 1.678 53.748 52.037 0.054 0.000 0.627 396 A CB -0.659 18.331 19.000 -0.017 0.000 0.815 396 A HN 0.581 nan 8.150 nan 0.000 0.443 397 I N -0.150 120.397 120.570 -0.039 0.000 2.179 397 I HA -0.281 3.888 4.170 -0.002 0.000 0.242 397 I C 2.195 178.318 176.117 0.011 0.000 1.088 397 I CA 1.591 62.877 61.300 -0.023 0.000 1.357 397 I CB -0.405 37.642 38.000 0.078 0.000 1.051 397 I HN 0.430 nan 8.210 nan 0.000 0.409 398 N N 0.515 119.141 118.700 -0.123 0.000 2.331 398 N HA -0.135 4.604 4.740 -0.002 0.000 0.180 398 N C 1.476 176.750 175.510 -0.395 0.000 1.019 398 N CA 0.454 53.291 53.050 -0.355 0.000 0.881 398 N CB -0.009 38.016 38.487 -0.770 0.000 0.972 398 N HN 0.305 nan 8.380 nan 0.000 0.435 399 N N 1.291 119.914 118.700 -0.129 0.000 2.149 399 N HA -0.123 4.616 4.740 -0.002 0.000 0.188 399 N C 1.605 177.064 175.510 -0.084 0.000 1.019 399 N CA 1.037 54.103 53.050 0.028 0.000 0.857 399 N CB -0.348 38.222 38.487 0.138 0.000 0.997 399 N HN 0.235 nan 8.380 nan 0.000 0.426 400 A N 0.034 122.699 122.820 -0.259 0.000 1.897 400 A HA -0.004 4.315 4.320 -0.002 0.000 0.215 400 A C 2.019 179.455 177.584 -0.247 0.000 1.181 400 A CA 0.662 52.309 52.037 -0.650 0.000 0.620 400 A CB -0.830 17.451 19.000 -1.198 0.000 0.821 400 A HN 0.157 nan 8.150 nan 0.000 0.443 401 F N 0.480 120.306 119.950 -0.208 0.000 2.120 401 F HA -0.222 4.305 4.527 -0.001 0.000 0.300 401 F C 2.771 178.659 175.800 0.146 0.000 1.095 401 F CA 1.428 59.408 58.000 -0.034 0.000 1.249 401 F CB -0.402 38.459 39.000 -0.232 0.000 0.995 401 F HN 0.264 nan 8.300 nan 0.000 0.480 402 A N -0.633 122.301 122.820 0.191 0.000 2.015 402 A HA -0.126 4.193 4.320 -0.002 0.000 0.219 402 A C 2.181 179.901 177.584 0.226 0.000 1.163 402 A CA 1.149 53.292 52.037 0.177 0.000 0.646 402 A CB -0.342 18.694 19.000 0.061 0.000 0.806 402 A HN 0.168 nan 8.150 nan 0.000 0.448 403 R N -2.290 118.358 120.500 0.247 0.000 2.276 403 R HA 0.064 4.403 4.340 -0.002 0.000 0.196 403 R C 1.604 178.138 176.300 0.389 0.000 0.961 403 R CA 0.501 56.789 56.100 0.313 0.000 1.024 403 R CB -0.665 29.868 30.300 0.388 0.000 0.940 403 R HN 0.729 nan 8.270 nan 0.000 0.480 404 Y N 0.453 120.958 120.300 0.340 0.000 2.145 404 Y HA -0.178 4.372 4.550 -0.002 0.000 0.286 404 Y C 1.664 177.639 175.900 0.126 0.000 1.145 404 Y CA 2.249 60.529 58.100 0.300 0.000 1.148 404 Y CB 0.176 38.845 38.460 0.347 0.000 0.981 404 Y HN 0.243 nan 8.280 nan 0.000 0.507 405 G N -0.934 107.972 108.800 0.177 0.000 3.033 405 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.208 405 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.208 405 G C 0.691 175.613 174.900 0.037 0.000 1.006 405 G CA 0.154 45.274 45.100 0.034 0.000 0.808 405 G HN 0.571 nan 8.290 nan 0.000 0.499 406 I N -2.655 117.894 120.570 -0.036 0.000 4.310 406 I HA 0.635 4.804 4.170 -0.002 0.000 0.328 406 I C -0.492 175.442 176.117 -0.305 0.000 1.406 406 I CA -0.596 60.568 61.300 -0.228 0.000 1.174 406 I CB 0.316 38.090 38.000 -0.376 0.000 1.279 406 I HN -0.108 nan 8.210 nan 0.000 0.471 407 F N 1.940 122.052 119.950 0.270 0.000 2.522 407 F HA 0.675 5.201 4.527 -0.002 0.000 0.324 407 F C -0.367 175.579 175.800 0.243 0.000 1.077 407 F CA -1.100 57.056 58.000 0.259 0.000 0.944 407 F CB 2.019 41.210 39.000 0.318 0.000 1.175 407 F HN -0.189 nan 8.300 nan 0.000 0.468 408 L N 5.001 126.495 121.223 0.453 0.000 2.384 408 L HA 0.414 4.753 4.340 -0.002 0.000 0.261 408 L C -2.604 174.342 176.870 0.126 0.000 1.024 408 L CA -1.630 53.455 54.840 0.408 0.000 0.899 408 L CB 1.293 43.756 42.059 0.674 0.000 1.243 408 L HN 0.291 nan 8.230 nan 0.000 0.449 409 P HA 0.425 nan 4.420 nan 0.000 0.287 409 P C -1.243 175.983 177.300 -0.123 0.000 1.270 409 P CA -0.533 62.389 63.100 -0.297 0.000 0.844 409 P CB 1.677 33.105 31.700 -0.454 0.000 1.068 410 F N -1.257 118.535 119.950 -0.262 0.000 2.551 410 F HA 0.736 5.262 4.527 -0.002 0.000 0.316 410 F C -0.835 174.872 175.800 -0.155 0.000 1.089 410 F CA -1.039 56.915 58.000 -0.075 0.000 0.915 410 F CB 1.396 40.435 39.000 0.065 0.000 1.186 410 F HN 0.063 nan 8.300 nan 0.000 0.456 411 S N 2.041 117.734 115.700 -0.012 0.000 2.454 411 S HA 0.882 5.351 4.470 -0.002 0.000 0.306 411 S C -0.661 173.995 174.600 0.092 0.000 1.100 411 S CA -0.584 57.549 58.200 -0.111 0.000 1.087 411 S CB 1.427 64.522 63.200 -0.175 0.000 1.019 411 S HN 1.046 nan 8.310 nan 0.000 0.480 412 A N 2.197 125.100 122.820 0.138 0.000 2.414 412 A HA 0.927 5.246 4.320 -0.002 0.000 0.306 412 A C -0.195 177.507 177.584 0.196 0.000 1.054 412 A CA -0.675 51.489 52.037 0.211 0.000 0.724 412 A CB 1.980 21.142 19.000 0.270 0.000 1.267 412 A HN 0.688 nan 8.150 nan 0.000 0.418 413 T N 0.216 114.946 114.554 0.293 0.000 2.693 413 T HA 0.568 4.917 4.350 -0.002 0.000 0.304 413 T C -1.404 173.501 174.700 0.341 0.000 1.471 413 T CA -0.458 61.773 62.100 0.219 0.000 0.993 413 T CB 0.135 69.154 68.868 0.252 0.000 1.554 413 T HN 0.444 nan 8.240 nan 0.000 0.496 414 F N 2.217 122.287 119.950 0.200 0.000 2.506 414 F HA 0.347 4.873 4.527 -0.002 0.000 0.351 414 F C 1.359 177.200 175.800 0.068 0.000 1.136 414 F CA -1.060 56.978 58.000 0.064 0.000 1.298 414 F CB -0.050 38.815 39.000 -0.225 0.000 1.145 414 F HN 0.584 nan 8.300 nan 0.000 0.593 415 F N 2.135 122.135 119.950 0.083 0.000 2.202 415 F HA -0.197 4.329 4.527 -0.002 0.000 0.301 415 F C 2.046 177.642 175.800 -0.339 0.000 1.082 415 F CA 1.098 58.961 58.000 -0.228 0.000 1.313 415 F CB -0.611 38.309 39.000 -0.132 0.000 1.024 415 F HN 0.357 nan 8.300 nan 0.000 0.495 416 I N -0.484 119.887 120.570 -0.333 0.000 2.361 416 I HA -0.254 3.915 4.170 -0.002 0.000 0.251 416 I C 1.529 177.436 176.117 -0.351 0.000 1.133 416 I CA 1.541 62.536 61.300 -0.508 0.000 1.413 416 I CB -0.805 36.797 38.000 -0.664 0.000 1.073 416 I HN -0.032 nan 8.210 nan 0.000 0.424 417 F N 0.365 120.301 119.950 -0.024 0.000 2.797 417 F HA 0.137 4.663 4.527 -0.002 0.000 0.302 417 F C 2.617 178.428 175.800 0.018 0.000 1.130 417 F CA 0.436 58.435 58.000 -0.001 0.000 1.387 417 F CB -1.767 37.153 39.000 -0.133 0.000 1.107 417 F HN 0.175 nan 8.300 nan 0.000 0.577 418 S N -0.026 115.644 115.700 -0.051 0.000 2.420 418 S HA -0.248 4.221 4.470 -0.002 0.000 0.237 418 S C 1.661 176.287 174.600 0.045 0.000 1.023 418 S CA 1.461 59.556 58.200 -0.176 0.000 0.991 418 S CB -0.568 62.106 63.200 -0.877 0.000 0.792 418 S HN 0.544 nan 8.310 nan 0.000 0.488 419 E N -0.036 120.190 120.200 0.043 0.000 2.204 419 E HA -0.107 4.242 4.350 -0.002 0.000 0.194 419 E C 1.526 178.149 176.600 0.039 0.000 0.989 419 E CA 1.120 57.532 56.400 0.021 0.000 0.824 419 E CB -0.308 29.384 29.700 -0.013 0.000 0.756 419 E HN 0.699 nan 8.360 nan 0.000 0.477 420 Y N 0.377 120.664 120.300 -0.021 0.000 2.352 420 Y HA -0.102 4.447 4.550 -0.002 0.000 0.292 420 Y C 1.967 177.754 175.900 -0.189 0.000 1.136 420 Y CA 0.782 58.833 58.100 -0.082 0.000 1.227 420 Y CB 0.060 38.508 38.460 -0.019 0.000 0.991 420 Y HN 0.103 nan 8.280 nan 0.000 0.545 421 L N -2.639 118.641 121.223 0.095 0.000 2.693 421 L HA 0.395 4.734 4.340 -0.002 0.000 0.235 421 L C 1.563 178.476 176.870 0.071 0.000 1.127 421 L CA 0.267 55.174 54.840 0.112 0.000 0.914 421 L CB -0.510 41.746 42.059 0.330 0.000 1.193 421 L HN -0.275 nan 8.230 nan 0.000 0.502 422 K N 1.746 122.131 120.400 -0.025 0.000 2.074 422 K HA -0.058 4.261 4.320 -0.002 0.000 0.209 422 K C -0.601 175.947 176.600 -0.086 0.000 1.048 422 K CA 2.018 58.251 56.287 -0.090 0.000 0.926 422 K CB -1.487 30.915 32.500 -0.163 0.000 0.713 422 K HN 0.293 nan 8.250 nan 0.000 0.444 423 P HA -0.067 nan 4.420 nan 0.000 0.218 423 P C 0.753 178.144 177.300 0.152 0.000 1.149 423 P CA 1.764 64.892 63.100 0.047 0.000 0.817 423 P CB -0.076 31.694 31.700 0.116 0.000 0.785 424 A N -0.052 122.929 122.820 0.269 0.000 1.930 424 A HA 0.061 4.380 4.320 -0.002 0.000 0.215 424 A C 2.289 180.024 177.584 0.252 0.000 1.176 424 A CA 1.515 53.720 52.037 0.281 0.000 0.632 424 A CB -1.479 17.742 19.000 0.367 0.000 0.819 424 A HN 0.159 nan 8.150 nan 0.000 0.445 425 A N -0.049 122.877 122.820 0.176 0.000 1.940 425 A HA -0.209 4.110 4.320 -0.002 0.000 0.219 425 A C 2.233 179.874 177.584 0.094 0.000 1.176 425 A CA 1.784 53.835 52.037 0.022 0.000 0.631 425 A CB -0.506 18.294 19.000 -0.332 0.000 0.814 425 A HN 0.532 nan 8.150 nan 0.000 0.446 426 R N -0.481 120.028 120.500 0.015 0.000 2.096 426 R HA -0.089 4.250 4.340 -0.002 0.000 0.235 426 R C 1.842 178.198 176.300 0.092 0.000 1.127 426 R CA 1.458 57.572 56.100 0.023 0.000 0.968 426 R CB -0.254 30.025 30.300 -0.035 0.000 0.861 426 R HN 0.488 nan 8.270 nan 0.000 0.440 427 I N 0.778 121.419 120.570 0.118 0.000 2.286 427 I HA -0.205 3.964 4.170 -0.002 0.000 0.248 427 I C 2.491 178.701 176.117 0.155 0.000 1.115 427 I CA 1.332 62.709 61.300 0.129 0.000 1.392 427 I CB -1.358 36.723 38.000 0.135 0.000 1.065 427 I HN 0.241 nan 8.210 nan 0.000 0.418 428 A N 1.164 124.110 122.820 0.210 0.000 1.883 428 A HA -0.196 4.123 4.320 -0.002 0.000 0.217 428 A C 2.603 180.255 177.584 0.112 0.000 1.186 428 A CA 2.308 54.473 52.037 0.212 0.000 0.624 428 A CB -0.806 18.393 19.000 0.331 0.000 0.822 428 A HN 0.430 nan 8.150 nan 0.000 0.444 429 A N -0.455 122.443 122.820 0.130 0.000 1.877 429 A HA 0.160 4.479 4.320 -0.002 0.000 0.216 429 A C 1.408 179.034 177.584 0.071 0.000 1.186 429 A CA 0.832 52.919 52.037 0.084 0.000 0.620 429 A CB -0.654 18.486 19.000 0.235 0.000 0.822 429 A HN 0.474 nan 8.150 nan 0.000 0.443 433 I N -1.836 118.765 120.570 0.051 0.000 2.713 433 I HA 0.365 4.534 4.170 -0.002 0.000 0.300 433 I C 0.029 176.153 176.117 0.011 0.000 1.009 433 I CA -0.719 60.621 61.300 0.066 0.000 1.305 433 I CB 0.617 38.683 38.000 0.110 0.000 1.430 433 I HN -0.224 nan 8.210 nan 0.000 0.546 434 K N 4.088 124.491 120.400 0.004 0.000 2.150 434 K HA 0.266 4.585 4.320 -0.002 0.000 0.261 434 K C -1.027 175.361 176.600 -0.354 0.000 1.127 434 K CA 0.243 56.442 56.287 -0.147 0.000 0.989 434 K CB -0.591 31.940 32.500 0.052 0.000 1.475 434 K HN 0.789 nan 8.250 nan 0.000 0.391 435 H N 1.923 120.622 119.070 -0.618 0.000 2.782 435 H HA 0.366 4.921 4.556 -0.002 0.000 0.347 435 H C -1.236 173.731 175.328 -0.601 0.000 1.038 435 H CA -0.844 54.874 56.048 -0.550 0.000 1.255 435 H CB 0.739 30.378 29.762 -0.205 0.000 1.623 435 H HN 0.148 nan 8.280 nan 0.000 0.525 436 F N 4.890 125.007 119.950 0.279 0.000 2.436 436 F HA 0.355 4.881 4.527 -0.002 0.000 0.340 436 F C -0.774 175.034 175.800 0.013 0.000 1.113 436 F CA -0.692 57.463 58.000 0.258 0.000 1.022 436 F CB 0.815 40.088 39.000 0.455 0.000 1.128 436 F HN 0.362 nan 8.300 nan 0.000 0.466 437 F N 4.085 124.170 119.950 0.225 0.000 2.444 437 F HA 0.523 5.049 4.527 -0.002 0.000 0.342 437 F C -0.334 175.262 175.800 -0.340 0.000 1.121 437 F CA -0.872 57.020 58.000 -0.181 0.000 0.997 437 F CB 1.233 39.984 39.000 -0.416 0.000 1.130 437 F HN 0.105 nan 8.300 nan 0.000 0.454 438 I N 4.905 125.361 120.570 -0.190 0.000 2.354 438 I HA 0.281 4.450 4.170 -0.002 0.000 0.286 438 I C -1.036 175.063 176.117 -0.029 0.000 1.007 438 I CA -0.995 60.288 61.300 -0.029 0.000 1.167 438 I CB 0.559 38.622 38.000 0.106 0.000 1.320 438 I HN 0.327 nan 8.210 nan 0.000 0.458 439 F N 4.341 124.384 119.950 0.155 0.000 2.434 439 F HA 0.398 4.924 4.527 -0.002 0.000 0.355 439 F C 0.956 176.813 175.800 0.095 0.000 1.115 439 F CA -0.978 57.088 58.000 0.111 0.000 1.010 439 F CB 1.505 40.473 39.000 -0.053 0.000 1.234 439 F HN 0.417 nan 8.300 nan 0.000 0.439 440 T N -1.634 113.175 114.554 0.424 0.000 2.884 440 T HA 0.464 4.813 4.350 -0.002 0.000 0.277 440 T C -0.431 174.557 174.700 0.479 0.000 0.976 440 T CA -0.424 61.921 62.100 0.408 0.000 0.956 440 T CB 0.660 69.836 68.868 0.513 0.000 1.113 440 T HN 0.626 nan 8.240 nan 0.000 0.554 441 H N 0.212 119.336 119.070 0.091 0.000 2.827 441 H HA -0.074 4.481 4.556 -0.002 0.000 0.330 441 H C 0.474 175.797 175.328 -0.008 0.000 1.236 441 H CA 0.818 56.833 56.048 -0.055 0.000 1.165 441 H CB -1.767 27.785 29.762 -0.351 0.000 1.532 441 H HN 0.828 nan 8.280 nan 0.000 0.434 442 D N -0.975 119.477 120.400 0.087 0.000 2.349 442 D HA 0.042 4.681 4.640 -0.002 0.000 0.224 442 D C 0.857 177.239 176.300 0.136 0.000 1.029 442 D CA 0.851 54.945 54.000 0.157 0.000 0.879 442 D CB 0.376 41.181 40.800 0.009 0.000 0.906 442 D HN 0.500 nan 8.370 nan 0.000 0.528 443 S N -0.728 114.979 115.700 0.011 0.000 2.727 443 S HA 0.284 4.753 4.470 -0.002 0.000 0.278 443 S C 1.125 175.614 174.600 -0.186 0.000 1.186 443 S CA -0.447 57.710 58.200 -0.071 0.000 0.836 443 S CB -0.029 63.140 63.200 -0.051 0.000 1.186 443 S HN 0.027 nan 8.310 nan 0.000 0.499 444 I N -0.519 119.859 120.570 -0.320 0.000 2.623 444 I HA 0.147 4.316 4.170 -0.002 0.000 0.261 444 I C 1.954 177.738 176.117 -0.556 0.000 1.204 444 I CA 1.513 62.550 61.300 -0.438 0.000 1.444 444 I CB -1.168 36.495 38.000 -0.563 0.000 1.094 444 I HN 0.732 nan 8.210 nan 0.000 0.451 445 G N 1.265 109.722 108.800 -0.572 0.000 2.498 445 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.219 445 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.219 445 G C 1.577 176.382 174.900 -0.158 0.000 1.119 445 G CA 0.790 45.708 45.100 -0.302 0.000 0.766 445 G HN 0.366 nan 8.290 nan 0.000 0.552 446 V N 0.846 120.656 119.914 -0.173 0.000 2.370 446 V HA 0.006 4.125 4.120 -0.002 0.000 0.252 446 V C 2.473 178.505 176.094 -0.103 0.000 1.068 446 V CA 2.134 64.355 62.300 -0.132 0.000 1.061 446 V CB -1.090 30.661 31.823 -0.120 0.000 0.656 446 V HN 0.918 nan 8.190 nan 0.000 0.455 447 G N -0.522 108.205 108.800 -0.121 0.000 2.588 447 G HA2 -0.378 3.581 3.960 -0.002 0.000 0.273 447 G HA3 -0.378 3.581 3.960 -0.002 0.000 0.273 447 G C 0.579 175.446 174.900 -0.055 0.000 1.211 447 G CA 0.456 45.508 45.100 -0.080 0.000 0.958 447 G HN 0.366 nan 8.290 nan 0.000 0.543 448 E N 1.098 121.273 120.200 -0.041 0.000 2.204 448 E HA 0.065 4.414 4.350 -0.002 0.000 0.195 448 E C 1.958 178.526 176.600 -0.053 0.000 0.990 448 E CA 1.238 57.618 56.400 -0.034 0.000 0.821 448 E CB -0.172 29.514 29.700 -0.024 0.000 0.750 448 E HN 0.468 nan 8.360 nan 0.000 0.477 449 D N -0.069 120.280 120.400 -0.086 0.000 2.265 449 D HA -0.026 4.613 4.640 -0.002 0.000 0.208 449 D C 1.069 177.321 176.300 -0.081 0.000 0.977 449 D CA 1.368 55.276 54.000 -0.152 0.000 0.871 449 D CB -0.247 40.384 40.800 -0.283 0.000 0.925 449 D HN 0.245 nan 8.370 nan 0.000 0.485 450 G N -0.035 108.745 108.800 -0.033 0.000 2.698 450 G HA2 -0.198 3.762 3.960 -0.002 0.000 0.225 450 G HA3 -0.198 3.762 3.960 -0.002 0.000 0.225 450 G C -1.948 172.967 174.900 0.024 0.000 1.345 450 G CA -0.134 44.967 45.100 0.002 0.000 0.871 450 G HN -0.020 nan 8.290 nan 0.000 0.540 451 P HA -0.088 nan 4.420 nan 0.000 0.221 451 P C 1.975 179.246 177.300 -0.049 0.000 1.150 451 P CA 2.763 65.860 63.100 -0.006 0.000 0.800 451 P CB -0.402 31.296 31.700 -0.004 0.000 0.787 452 T N -4.218 110.333 114.554 -0.005 0.000 2.977 452 T HA -0.149 4.200 4.350 -0.002 0.000 0.271 452 T C 1.475 176.121 174.700 -0.090 0.000 1.105 452 T CA 1.153 63.244 62.100 -0.014 0.000 1.116 452 T CB -1.108 67.823 68.868 0.105 0.000 0.878 452 T HN 0.317 nan 8.240 nan 0.000 0.509 453 H N 0.339 119.350 119.070 -0.099 0.000 2.784 453 H HA 0.323 4.878 4.556 -0.002 0.000 0.273 453 H C -0.014 175.180 175.328 -0.224 0.000 1.112 453 H CA -0.310 55.625 56.048 -0.188 0.000 1.162 453 H CB 0.627 30.299 29.762 -0.150 0.000 1.586 453 H HN 0.501 nan 8.280 nan 0.000 0.548 454 Q N 2.035 121.781 119.800 -0.090 0.000 2.394 454 Q HA 0.270 4.609 4.340 -0.002 0.000 0.259 454 Q C -2.630 173.295 176.000 -0.124 0.000 1.021 454 Q CA -2.071 53.662 55.803 -0.116 0.000 0.805 454 Q CB 2.090 30.758 28.738 -0.116 0.000 1.226 454 Q HN 0.111 nan 8.270 nan 0.000 0.476 455 P HA -0.007 nan 4.420 nan 0.000 0.267 455 P C -0.190 177.031 177.300 -0.132 0.000 1.200 455 P CA 0.235 63.226 63.100 -0.182 0.000 0.772 455 P CB 0.874 32.472 31.700 -0.169 0.000 0.855 456 I N 1.527 122.019 120.570 -0.131 0.000 4.079 456 I HA 0.010 4.179 4.170 -0.002 0.000 0.276 456 I C 1.683 177.750 176.117 -0.083 0.000 1.146 456 I CA 0.690 61.926 61.300 -0.107 0.000 1.324 456 I CB -0.676 37.243 38.000 -0.134 0.000 1.638 456 I HN 0.366 nan 8.210 nan 0.000 0.436 457 E N 1.087 121.222 120.200 -0.108 0.000 2.476 457 E HA -0.014 4.335 4.350 -0.002 0.000 0.199 457 E C 1.334 177.844 176.600 -0.150 0.000 1.021 457 E CA 0.373 56.715 56.400 -0.097 0.000 0.907 457 E CB 0.237 29.894 29.700 -0.072 0.000 0.974 457 E HN 0.321 nan 8.360 nan 0.000 0.489 458 Q N 0.679 120.307 119.800 -0.285 0.000 2.172 458 Q HA 0.022 4.361 4.340 -0.002 0.000 0.200 458 Q C 2.001 177.957 176.000 -0.073 0.000 0.964 458 Q CA 0.737 56.294 55.803 -0.410 0.000 0.855 458 Q CB -0.276 27.740 28.738 -1.204 0.000 0.918 458 Q HN 0.208 nan 8.270 nan 0.000 0.444 459 L N -0.047 121.229 121.223 0.089 0.000 2.042 459 L HA -0.178 4.161 4.340 -0.002 0.000 0.210 459 L C 1.930 178.837 176.870 0.062 0.000 1.076 459 L CA 1.742 56.723 54.840 0.236 0.000 0.749 459 L CB -0.770 41.399 42.059 0.183 0.000 0.893 459 L HN 0.097 nan 8.230 nan 0.000 0.432 460 S N -1.347 114.329 115.700 -0.040 0.000 2.368 460 S HA -0.198 4.271 4.470 -0.002 0.000 0.225 460 S C 1.811 176.347 174.600 -0.106 0.000 1.030 460 S CA 1.719 59.849 58.200 -0.117 0.000 0.999 460 S CB -0.518 62.593 63.200 -0.149 0.000 0.844 460 S HN 0.580 nan 8.310 nan 0.000 0.459 461 T N 1.690 116.193 114.554 -0.086 0.000 2.652 461 T HA -0.072 4.277 4.350 -0.002 0.000 0.267 461 T C 1.431 175.997 174.700 -0.223 0.000 1.039 461 T CA 1.408 63.416 62.100 -0.154 0.000 1.153 461 T CB -0.493 68.274 68.868 -0.168 0.000 0.863 461 T HN 0.317 nan 8.240 nan 0.000 0.428 462 F N 1.264 121.115 119.950 -0.165 0.000 2.186 462 F HA 0.065 4.591 4.527 -0.002 0.000 0.299 462 F C 2.576 178.289 175.800 -0.144 0.000 1.090 462 F CA 0.852 58.728 58.000 -0.206 0.000 1.307 462 F CB -0.264 38.651 39.000 -0.142 0.000 1.019 462 F HN -0.024 nan 8.300 nan 0.000 0.489 463 R N 0.078 120.588 120.500 0.016 0.000 2.092 463 R HA 0.039 4.378 4.340 -0.002 0.000 0.231 463 R C 1.308 177.571 176.300 -0.061 0.000 1.119 463 R CA 0.663 56.736 56.100 -0.045 0.000 0.970 463 R CB -0.556 29.608 30.300 -0.227 0.000 0.864 463 R HN 0.195 nan 8.270 nan 0.000 0.440 467 N N -0.569 118.185 118.700 0.091 0.000 2.735 467 N HA -0.186 4.553 4.740 -0.002 0.000 0.248 467 N C -1.060 174.475 175.510 0.041 0.000 1.083 467 N CA 1.039 54.125 53.050 0.059 0.000 0.703 467 N CB -1.412 37.098 38.487 0.039 0.000 1.005 467 N HN 0.382 nan 8.380 nan 0.000 0.550 468 F N -0.169 119.781 119.950 -0.000 0.000 2.578 468 F HA 0.539 5.065 4.527 -0.002 0.000 0.311 468 F C -0.096 175.685 175.800 -0.032 0.000 1.094 468 F CA -0.783 57.219 58.000 0.003 0.000 0.923 468 F CB 1.401 40.409 39.000 0.014 0.000 1.230 468 F HN -0.159 nan 8.300 nan 0.000 0.450 469 L N 3.264 124.532 121.223 0.075 0.000 2.295 469 L HA 0.540 4.879 4.340 -0.002 0.000 0.285 469 L C -0.468 176.304 176.870 -0.163 0.000 1.035 469 L CA -0.474 54.269 54.840 -0.162 0.000 0.806 469 L CB 1.733 43.553 42.059 -0.399 0.000 1.214 469 L HN 0.543 nan 8.230 nan 0.000 0.426 470 T N 2.957 117.355 114.554 -0.260 0.000 2.893 470 T HA 0.456 4.805 4.350 -0.002 0.000 0.324 470 T C -0.485 174.020 174.700 -0.325 0.000 1.082 470 T CA -0.314 61.693 62.100 -0.155 0.000 0.983 470 T CB 0.011 68.894 68.868 0.027 0.000 1.005 470 T HN 0.071 nan 8.240 nan 0.000 0.475 471 F N 2.336 122.152 119.950 -0.224 0.000 2.404 471 F HA 0.503 5.029 4.527 -0.002 0.000 0.345 471 F C 1.077 176.791 175.800 -0.143 0.000 1.110 471 F CA -1.066 56.805 58.000 -0.215 0.000 1.130 471 F CB 1.037 39.793 39.000 -0.407 0.000 1.129 471 F HN 0.279 nan 8.300 nan 0.000 0.500 472 R N 5.281 125.850 120.500 0.115 0.000 2.494 472 R HA 0.338 4.677 4.340 -0.002 0.000 0.284 472 R C -2.902 173.445 176.300 0.077 0.000 1.525 472 R CA -1.851 54.279 56.100 0.051 0.000 1.460 472 R CB 0.630 30.935 30.300 0.009 0.000 1.134 472 R HN 0.256 nan 8.270 nan 0.000 0.592 473 P HA 0.086 nan 4.420 nan 0.000 0.275 473 P C -0.088 177.237 177.300 0.041 0.000 1.227 473 P CA 0.059 63.206 63.100 0.078 0.000 0.781 473 P CB 1.802 33.543 31.700 0.069 0.000 0.906 474 A N 2.413 125.262 122.820 0.048 0.000 2.178 474 A HA 0.093 4.412 4.320 -0.002 0.000 0.211 474 A C 0.592 178.177 177.584 0.000 0.000 1.157 474 A CA 0.964 53.018 52.037 0.029 0.000 0.780 474 A CB -0.469 18.563 19.000 0.054 0.000 0.828 474 A HN 0.698 nan 8.150 nan 0.000 0.476 475 D N -4.911 115.485 120.400 -0.005 0.000 2.779 475 D HA 0.333 4.972 4.640 -0.002 0.000 0.331 475 D C 0.957 177.205 176.300 -0.087 0.000 1.331 475 D CA 0.158 54.126 54.000 -0.053 0.000 0.866 475 D CB 0.312 41.100 40.800 -0.019 0.000 1.409 475 D HN -0.074 nan 8.370 nan 0.000 0.486 476 G N -0.464 108.230 108.800 -0.176 0.000 2.408 476 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.217 476 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.217 476 G C 1.396 176.341 174.900 0.074 0.000 1.150 476 G CA 1.224 46.134 45.100 -0.317 0.000 0.776 476 G HN 0.295 nan 8.290 nan 0.000 0.542 477 V N 0.775 120.766 119.914 0.128 0.000 2.295 477 V HA -0.178 3.941 4.120 -0.002 0.000 0.246 477 V C 2.674 178.797 176.094 0.049 0.000 1.049 477 V CA 2.141 64.514 62.300 0.121 0.000 1.024 477 V CB -0.513 31.362 31.823 0.087 0.000 0.648 477 V HN 0.457 nan 8.190 nan 0.000 0.447 478 E N 0.171 120.399 120.200 0.047 0.000 2.118 478 E HA -0.264 4.085 4.350 -0.002 0.000 0.195 478 E C 2.132 178.736 176.600 0.007 0.000 0.992 478 E CA 1.327 57.750 56.400 0.038 0.000 0.804 478 E CB -0.294 29.463 29.700 0.095 0.000 0.741 478 E HN 0.526 nan 8.360 nan 0.000 0.458 479 N N 0.871 119.585 118.700 0.024 0.000 2.120 479 N HA -0.134 4.605 4.740 -0.002 0.000 0.188 479 N C 1.779 177.344 175.510 0.091 0.000 1.024 479 N CA 0.868 53.952 53.050 0.057 0.000 0.852 479 N CB -0.121 38.381 38.487 0.024 0.000 1.003 479 N HN -0.028 nan 8.380 nan 0.000 0.424 480 V N 1.066 121.011 119.914 0.052 0.000 2.307 480 V HA -0.179 3.940 4.120 -0.002 0.000 0.245 480 V C 2.239 178.178 176.094 -0.259 0.000 1.045 480 V CA 1.609 63.839 62.300 -0.118 0.000 1.024 480 V CB -0.395 31.352 31.823 -0.126 0.000 0.651 480 V HN 0.341 nan 8.190 nan 0.000 0.449 481 K N 0.224 120.515 120.400 -0.182 0.000 2.097 481 K HA -0.131 4.188 4.320 -0.002 0.000 0.206 481 K C 2.263 178.720 176.600 -0.239 0.000 1.049 481 K CA 1.414 57.585 56.287 -0.195 0.000 0.933 481 K CB -0.411 32.005 32.500 -0.140 0.000 0.717 481 K HN 0.486 nan 8.250 nan 0.000 0.442 482 A N 0.602 123.229 122.820 -0.322 0.000 1.877 482 A HA -0.169 4.150 4.320 -0.002 0.000 0.216 482 A C 1.829 179.040 177.584 -0.621 0.000 1.186 482 A CA 1.190 52.726 52.037 -0.835 0.000 0.620 482 A CB -0.899 17.509 19.000 -0.988 0.000 0.822 482 A HN 0.443 nan 8.150 nan 0.000 0.443 483 W N 0.122 121.270 121.300 -0.253 0.000 2.358 483 W HA -0.182 4.477 4.660 -0.002 0.000 0.303 483 W C 2.723 179.119 176.519 -0.206 0.000 1.208 483 W CA 1.643 58.882 57.345 -0.176 0.000 1.274 483 W CB -0.219 29.101 29.460 -0.235 0.000 1.138 483 W HN 0.441 nan 8.180 nan 0.000 0.515 484 Q N -0.161 119.599 119.800 -0.066 0.000 2.096 484 Q HA -0.217 4.122 4.340 -0.002 0.000 0.204 484 Q C 1.999 177.997 176.000 -0.005 0.000 0.982 484 Q CA 1.896 57.672 55.803 -0.046 0.000 0.850 484 Q CB -0.529 28.127 28.738 -0.137 0.000 0.901 484 Q HN 0.397 nan 8.270 nan 0.000 0.422 485 I N 0.483 121.026 120.570 -0.044 0.000 2.202 485 I HA -0.258 3.911 4.170 -0.002 0.000 0.242 485 I C 2.437 178.611 176.117 0.094 0.000 1.091 485 I CA 0.981 62.304 61.300 0.038 0.000 1.368 485 I CB -0.429 37.627 38.000 0.093 0.000 1.058 485 I HN 0.148 nan 8.210 nan 0.000 0.410 486 A N 0.898 123.752 122.820 0.056 0.000 1.908 486 A HA -0.161 4.158 4.320 -0.002 0.000 0.218 486 A C 2.298 180.016 177.584 0.222 0.000 1.181 486 A CA 1.497 53.644 52.037 0.183 0.000 0.627 486 A CB -0.909 18.155 19.000 0.106 0.000 0.818 486 A HN 0.404 nan 8.150 nan 0.000 0.445 487 L N -0.862 120.397 121.223 0.060 0.000 2.141 487 L HA -0.157 4.182 4.340 -0.002 0.000 0.209 487 L C 2.003 178.797 176.870 -0.125 0.000 1.094 487 L CA 1.420 56.140 54.840 -0.199 0.000 0.763 487 L CB -0.455 41.200 42.059 -0.672 0.000 0.908 487 L HN 0.488 nan 8.230 nan 0.000 0.437 488 N N -0.513 118.214 118.700 0.045 0.000 2.422 488 N HA 0.118 4.857 4.740 -0.002 0.000 0.181 488 N C 0.707 176.307 175.510 0.149 0.000 1.080 488 N CA -0.074 53.062 53.050 0.145 0.000 0.893 488 N CB 0.330 38.902 38.487 0.140 0.000 0.973 488 N HN 0.211 nan 8.380 nan 0.000 0.456 489 A N 1.307 124.215 122.820 0.147 0.000 2.346 489 A HA 0.064 4.383 4.320 -0.002 0.000 0.252 489 A C 0.505 178.166 177.584 0.128 0.000 1.089 489 A CA -0.177 51.940 52.037 0.134 0.000 0.797 489 A CB 0.289 19.374 19.000 0.142 0.000 1.047 489 A HN 0.312 nan 8.150 nan 0.000 0.494 490 D N -0.792 119.665 120.400 0.095 0.000 2.368 490 D HA 0.173 4.812 4.640 -0.002 0.000 0.218 490 D C 0.202 176.533 176.300 0.052 0.000 1.112 490 D CA 0.224 54.273 54.000 0.083 0.000 0.834 490 D CB -0.517 40.328 40.800 0.074 0.000 0.953 490 D HN 0.548 nan 8.370 nan 0.000 0.505 491 I N -4.683 115.903 120.570 0.028 0.000 3.095 491 I HA 0.584 4.753 4.170 -0.002 0.000 0.310 491 I C -2.946 173.106 176.117 -0.110 0.000 1.196 491 I CA -2.829 58.443 61.300 -0.047 0.000 0.985 491 I CB 2.383 40.349 38.000 -0.056 0.000 1.250 491 I HN -0.407 nan 8.210 nan 0.000 0.446 492 P HA 0.219 nan 4.420 nan 0.000 0.272 492 P C -0.755 176.280 177.300 -0.441 0.000 1.240 492 P CA -0.098 62.766 63.100 -0.393 0.000 0.791 492 P CB 1.077 32.419 31.700 -0.597 0.000 0.978 493 S N -0.395 115.259 115.700 -0.077 0.000 2.548 493 S HA 0.700 5.169 4.470 -0.002 0.000 0.286 493 S C -0.654 174.133 174.600 0.312 0.000 1.098 493 S CA -0.512 57.746 58.200 0.098 0.000 0.930 493 S CB 1.785 65.054 63.200 0.115 0.000 1.070 493 S HN 0.651 nan 8.310 nan 0.000 0.480 494 A N 1.702 124.668 122.820 0.243 0.000 2.340 494 A HA 0.867 5.187 4.320 -0.002 0.000 0.331 494 A C -1.372 176.048 177.584 -0.272 0.000 1.140 494 A CA -0.519 51.572 52.037 0.090 0.000 0.801 494 A CB 0.363 19.404 19.000 0.069 0.000 1.234 494 A HN 0.647 nan 8.150 nan 0.000 0.469 495 F N 1.544 121.454 119.950 -0.067 0.000 2.427 495 F HA 0.464 4.990 4.527 -0.002 0.000 0.348 495 F C -0.067 175.666 175.800 -0.111 0.000 1.125 495 F CA -0.571 57.387 58.000 -0.070 0.000 0.989 495 F CB 2.195 41.120 39.000 -0.125 0.000 1.165 495 F HN 0.226 nan 8.300 nan 0.000 0.442 496 V N 5.924 125.816 119.914 -0.036 0.000 2.328 496 V HA 0.459 4.578 4.120 -0.002 0.000 0.278 496 V C -0.195 175.844 176.094 -0.092 0.000 1.021 496 V CA -0.520 61.633 62.300 -0.244 0.000 0.838 496 V CB 1.061 32.583 31.823 -0.502 0.000 0.999 496 V HN 0.565 nan 8.190 nan 0.000 0.447 497 L N 4.065 125.266 121.223 -0.037 0.000 2.370 497 L HA 0.662 5.001 4.340 -0.002 0.000 0.266 497 L C 0.362 177.235 176.870 0.006 0.000 1.002 497 L CA -0.547 54.304 54.840 0.018 0.000 0.818 497 L CB 2.566 44.667 42.059 0.070 0.000 1.325 497 L HN 0.668 nan 8.230 nan 0.000 0.418 498 S N 0.884 116.570 115.700 -0.023 0.000 2.586 498 S HA 0.337 4.806 4.470 -0.002 0.000 0.274 498 S C 0.763 175.294 174.600 -0.116 0.000 1.281 498 S CA -0.616 57.550 58.200 -0.056 0.000 1.035 498 S CB 1.867 65.037 63.200 -0.050 0.000 0.962 498 S HN 0.770 nan 8.310 nan 0.000 0.512 499 R N 1.132 121.486 120.500 -0.243 0.000 2.062 499 R HA -0.049 4.290 4.340 -0.002 0.000 0.229 499 R C 0.920 177.113 176.300 -0.178 0.000 1.128 499 R CA 1.005 56.868 56.100 -0.394 0.000 0.960 499 R CB -0.166 29.742 30.300 -0.652 0.000 0.855 499 R HN 0.906 nan 8.270 nan 0.000 0.432 500 Q N 1.663 121.397 119.800 -0.111 0.000 2.221 500 Q HA 0.117 4.456 4.340 -0.002 0.000 0.242 500 Q C -1.100 174.862 176.000 -0.064 0.000 0.940 500 Q CA -0.409 55.360 55.803 -0.056 0.000 0.896 500 Q CB 1.008 29.750 28.738 0.006 0.000 1.226 500 Q HN -0.028 nan 8.270 nan 0.000 0.463 501 K N 1.905 122.266 120.400 -0.065 0.000 2.448 501 K HA 0.233 4.552 4.320 -0.002 0.000 0.278 501 K C -0.616 175.911 176.600 -0.121 0.000 1.009 501 K CA -0.075 56.157 56.287 -0.091 0.000 0.995 501 K CB 0.330 32.778 32.500 -0.086 0.000 0.917 501 K HN 0.582 nan 8.250 nan 0.000 0.481 502 L N 3.412 124.547 121.223 -0.147 0.000 2.322 502 L HA 0.455 4.794 4.340 -0.002 0.000 0.269 502 L C -0.048 176.655 176.870 -0.277 0.000 1.012 502 L CA -1.327 53.399 54.840 -0.189 0.000 0.815 502 L CB 1.593 43.570 42.059 -0.136 0.000 1.295 502 L HN 0.500 nan 8.230 nan 0.000 0.438 503 K N 1.470 121.609 120.400 -0.435 0.000 2.234 503 K HA 0.480 4.799 4.320 -0.002 0.000 0.282 503 K C -0.251 176.093 176.600 -0.427 0.000 1.039 503 K CA -0.359 55.525 56.287 -0.671 0.000 0.928 503 K CB 1.762 33.272 32.500 -1.650 0.000 1.039 503 K HN 0.695 nan 8.250 nan 0.000 0.470 504 A N 4.312 126.948 122.820 -0.306 0.000 2.498 504 A HA 0.178 4.497 4.320 -0.002 0.000 0.239 504 A C 0.309 177.872 177.584 -0.037 0.000 1.068 504 A CA -0.139 51.823 52.037 -0.125 0.000 0.766 504 A CB -0.048 18.911 19.000 -0.068 0.000 1.003 504 A HN 0.666 nan 8.150 nan 0.000 0.497 505 L N 2.352 123.622 121.223 0.078 0.000 2.421 505 L HA 0.244 4.583 4.340 -0.002 0.000 0.263 505 L C 0.684 177.653 176.870 0.164 0.000 1.122 505 L CA -0.907 54.045 54.840 0.187 0.000 0.804 505 L CB 0.390 42.560 42.059 0.185 0.000 1.150 505 L HN 0.707 nan 8.230 nan 0.000 0.457 506 N N 0.600 119.413 118.700 0.187 0.000 2.347 506 N HA 0.129 4.868 4.740 -0.002 0.000 0.253 506 N C -0.337 175.255 175.510 0.137 0.000 1.274 506 N CA -0.377 52.758 53.050 0.142 0.000 0.941 506 N CB 0.573 39.138 38.487 0.130 0.000 1.200 506 N HN 0.529 nan 8.380 nan 0.000 0.514 507 E N 0.776 121.041 120.200 0.108 0.000 2.390 507 E HA 0.154 4.503 4.350 -0.002 0.000 0.261 507 E C -2.050 174.630 176.600 0.134 0.000 1.076 507 E CA -1.255 55.202 56.400 0.096 0.000 0.905 507 E CB 0.019 29.754 29.700 0.060 0.000 0.984 507 E HN 0.270 nan 8.360 nan 0.000 0.427 508 P HA -0.106 nan 4.420 nan 0.000 0.266 508 P C 0.602 177.995 177.300 0.155 0.000 1.195 508 P CA 0.170 63.390 63.100 0.199 0.000 0.768 508 P CB 0.539 32.215 31.700 -0.040 0.000 0.838 509 V N 0.434 120.468 119.914 0.200 0.000 2.992 509 V HA 0.341 4.460 4.120 -0.002 0.000 0.250 509 V C 0.242 176.493 176.094 0.262 0.000 1.090 509 V CA 0.753 63.161 62.300 0.179 0.000 1.101 509 V CB -0.699 31.209 31.823 0.143 0.000 0.743 509 V HN 0.387 nan 8.190 nan 0.000 0.468 510 F N 0.583 120.605 119.950 0.119 0.000 2.622 510 F HA 0.706 5.232 4.527 -0.002 0.000 0.318 510 F C 0.083 176.001 175.800 0.196 0.000 1.135 510 F CA 0.168 58.236 58.000 0.113 0.000 1.015 510 F CB 1.037 40.071 39.000 0.058 0.000 1.275 510 F HN 0.667 nan 8.300 nan 0.000 0.457 511 G N 3.908 112.303 108.800 -0.675 0.000 2.782 511 G HA2 0.171 4.130 3.960 -0.002 0.000 0.228 511 G HA3 0.171 4.130 3.960 -0.002 0.000 0.228 511 G C -1.518 173.265 174.900 -0.196 0.000 1.372 511 G CA -0.012 44.900 45.100 -0.313 0.000 0.862 511 G HN 1.021 nan 8.290 nan 0.000 0.547 512 D N -3.035 117.230 120.400 -0.226 0.000 2.825 512 D HA 0.463 5.102 4.640 -0.002 0.000 0.327 512 D C 1.732 177.822 176.300 -0.349 0.000 1.277 512 D CA 0.126 53.801 54.000 -0.542 0.000 0.950 512 D CB 1.147 41.724 40.800 -0.371 0.000 1.438 512 D HN 0.594 nan 8.370 nan 0.000 0.526 513 V N 1.362 121.061 119.914 -0.358 0.000 2.469 513 V HA -0.254 3.865 4.120 -0.002 0.000 0.251 513 V C 2.285 178.391 176.094 0.021 0.000 1.064 513 V CA 2.521 64.794 62.300 -0.046 0.000 1.066 513 V CB -0.778 31.019 31.823 -0.043 0.000 0.667 513 V HN 0.579 nan 8.190 nan 0.000 0.461 514 K N 1.005 121.377 120.400 -0.047 0.000 2.211 514 K HA -0.224 4.095 4.320 -0.002 0.000 0.204 514 K C 1.327 177.906 176.600 -0.035 0.000 1.047 514 K CA 2.348 58.622 56.287 -0.022 0.000 0.935 514 K CB -0.587 31.877 32.500 -0.061 0.000 0.728 514 K HN 0.543 nan 8.250 nan 0.000 0.452 515 N N 0.031 118.686 118.700 -0.075 0.000 2.398 515 N HA 0.098 4.837 4.740 -0.002 0.000 0.188 515 N C 0.967 176.499 175.510 0.036 0.000 1.122 515 N CA 0.532 53.504 53.050 -0.130 0.000 0.866 515 N CB 0.962 39.239 38.487 -0.351 0.000 0.970 515 N HN 0.513 nan 8.380 nan 0.000 0.462 516 G N 0.075 108.921 108.800 0.076 0.000 2.708 516 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.229 516 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.229 516 G C 0.169 175.055 174.900 -0.024 0.000 1.236 516 G CA 0.239 45.389 45.100 0.084 0.000 0.749 516 G HN 0.640 nan 8.290 nan 0.000 0.515 517 A N -0.602 122.100 122.820 -0.196 0.000 2.435 517 A HA 0.976 5.295 4.320 -0.002 0.000 0.304 517 A C -0.706 176.834 177.584 -0.073 0.000 1.064 517 A CA 0.094 51.860 52.037 -0.453 0.000 0.727 517 A CB 1.369 19.476 19.000 -1.488 0.000 1.284 517 A HN 1.976 nan 8.150 nan 0.000 0.415 518 Y N -1.078 119.122 120.300 -0.166 0.000 2.670 518 Y HA 0.732 5.281 4.550 -0.002 0.000 0.334 518 Y C -1.503 174.373 175.900 -0.042 0.000 1.185 518 Y CA -1.422 56.658 58.100 -0.034 0.000 1.053 518 Y CB 0.974 39.432 38.460 -0.004 0.000 1.298 518 Y HN 0.516 nan 8.280 nan 0.000 0.459 519 L N 2.768 124.065 121.223 0.123 0.000 2.290 519 L HA 0.319 4.658 4.340 -0.002 0.000 0.284 519 L C 0.497 177.415 176.870 0.080 0.000 1.078 519 L CA -0.291 54.576 54.840 0.044 0.000 0.815 519 L CB 1.218 43.362 42.059 0.142 0.000 1.162 519 L HN 0.832 nan 8.230 nan 0.000 0.435 520 L N 2.735 123.932 121.223 -0.044 0.000 2.408 520 L HA 0.196 4.535 4.340 -0.002 0.000 0.215 520 L C 0.625 177.516 176.870 0.035 0.000 1.081 520 L CA 0.522 55.377 54.840 0.025 0.000 0.840 520 L CB 0.107 42.145 42.059 -0.036 0.000 1.002 520 L HN 0.514 nan 8.230 nan 0.000 0.468 521 K N 0.587 120.993 120.400 0.011 0.000 2.535 521 K HA 0.326 4.645 4.320 -0.002 0.000 0.251 521 K C -1.398 175.210 176.600 0.014 0.000 0.942 521 K CA -0.444 55.851 56.287 0.012 0.000 0.798 521 K CB 2.281 34.775 32.500 -0.011 0.000 1.267 521 K HN -0.169 nan 8.250 nan 0.000 0.434 522 E N 2.261 122.473 120.200 0.019 0.000 2.256 522 E HA 0.387 4.736 4.350 -0.002 0.000 0.268 522 E C -1.631 174.971 176.600 0.002 0.000 0.877 522 E CA -0.645 55.760 56.400 0.008 0.000 0.757 522 E CB 1.944 31.648 29.700 0.007 0.000 1.183 522 E HN 0.531 nan 8.360 nan 0.000 0.418 523 S N 1.867 117.566 115.700 -0.002 0.000 2.526 523 S HA 0.543 5.012 4.470 -0.002 0.000 0.293 523 S C -0.421 174.170 174.600 -0.015 0.000 1.092 523 S CA -0.827 57.371 58.200 -0.003 0.000 0.980 523 S CB 1.590 64.796 63.200 0.009 0.000 1.048 523 S HN 0.614 nan 8.310 nan 0.000 0.483 524 K N 1.658 122.046 120.400 -0.019 0.000 2.448 524 K HA 0.228 4.547 4.320 -0.002 0.000 0.278 524 K C 0.496 177.079 176.600 -0.028 0.000 1.009 524 K CA 0.008 56.279 56.287 -0.027 0.000 0.995 524 K CB -0.491 31.993 32.500 -0.026 0.000 0.917 524 K HN 0.691 nan 8.250 nan 0.000 0.481 525 E N -1.583 118.596 120.200 -0.034 0.000 2.297 525 E HA -0.195 4.154 4.350 -0.002 0.000 0.228 525 E C 0.153 176.727 176.600 -0.044 0.000 1.213 525 E CA 0.920 57.296 56.400 -0.040 0.000 0.712 525 E CB -2.571 27.104 29.700 -0.042 0.000 1.202 525 E HN 1.171 nan 8.360 nan 0.000 0.376 526 A N 1.063 123.863 122.820 -0.034 0.000 2.546 526 A HA 0.059 4.378 4.320 -0.002 0.000 0.243 526 A C 1.425 178.960 177.584 -0.081 0.000 1.063 526 A CA 0.358 52.378 52.037 -0.028 0.000 0.757 526 A CB 0.505 19.505 19.000 -0.000 0.000 0.991 526 A HN 0.083 nan 8.150 nan 0.000 0.503 527 K N 1.085 121.395 120.400 -0.150 0.000 2.262 527 K HA 0.166 4.485 4.320 -0.002 0.000 0.200 527 K C -0.661 175.572 176.600 -0.612 0.000 1.049 527 K CA 0.946 56.991 56.287 -0.402 0.000 0.979 527 K CB -0.016 32.173 32.500 -0.519 0.000 0.773 527 K HN 0.640 nan 8.250 nan 0.000 0.474 528 F N -0.102 119.866 119.950 0.031 0.000 2.588 528 F HA 0.317 4.843 4.527 -0.002 0.000 0.310 528 F C -0.106 175.707 175.800 0.022 0.000 1.082 528 F CA -0.885 57.123 58.000 0.013 0.000 0.929 528 F CB 2.038 41.026 39.000 -0.021 0.000 1.254 528 F HN -0.417 nan 8.300 nan 0.000 0.455 529 T N 3.691 118.391 114.554 0.243 0.000 2.812 529 T HA 0.631 4.980 4.350 -0.002 0.000 0.282 529 T C -0.937 173.835 174.700 0.120 0.000 0.990 529 T CA -0.473 61.712 62.100 0.142 0.000 0.960 529 T CB 0.942 69.877 68.868 0.112 0.000 0.948 529 T HN 0.186 nan 8.240 nan 0.000 0.438 530 L N 3.847 125.105 121.223 0.058 0.000 2.265 530 L HA 0.585 4.924 4.340 -0.002 0.000 0.289 530 L C -0.387 176.483 176.870 -0.001 0.000 1.033 530 L CA -0.329 54.522 54.840 0.020 0.000 0.814 530 L CB 1.118 43.161 42.059 -0.026 0.000 1.203 530 L HN 0.510 nan 8.230 nan 0.000 0.423 531 L N 3.663 124.896 121.223 0.017 0.000 2.313 531 L HA 0.973 5.312 4.340 -0.002 0.000 0.283 531 L C -0.498 176.379 176.870 0.010 0.000 1.013 531 L CA -0.034 54.801 54.840 -0.008 0.000 0.816 531 L CB 1.323 43.399 42.059 0.027 0.000 1.236 531 L HN 0.773 nan 8.230 nan 0.000 0.419 532 A N 2.844 125.652 122.820 -0.020 0.000 2.602 532 A HA 0.848 5.167 4.320 -0.002 0.000 0.290 532 A C -1.129 176.453 177.584 -0.004 0.000 1.114 532 A CA -0.139 51.907 52.037 0.015 0.000 0.683 532 A CB 1.886 20.899 19.000 0.023 0.000 1.281 532 A HN 0.723 nan 8.150 nan 0.000 0.416 533 S N -0.698 115.016 115.700 0.025 0.000 2.634 533 S HA 0.844 5.313 4.470 -0.002 0.000 0.296 533 S C 0.790 175.403 174.600 0.021 0.000 1.104 533 S CA 0.426 58.640 58.200 0.023 0.000 0.920 533 S CB 0.999 64.227 63.200 0.047 0.000 1.111 533 S HN 2.800 nan 8.310 nan 0.000 0.493 534 G N 2.160 110.974 108.800 0.023 0.000 2.652 534 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.318 534 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.318 534 G C 1.145 176.046 174.900 0.003 0.000 1.295 534 G CA 1.572 46.680 45.100 0.012 0.000 0.999 534 G HN 2.129 nan 8.290 nan 0.000 0.548 535 S N -0.075 115.614 115.700 -0.020 0.000 2.500 535 S HA 0.009 4.478 4.470 -0.002 0.000 0.239 535 S C 1.634 176.197 174.600 -0.061 0.000 0.989 535 S CA 2.152 60.320 58.200 -0.053 0.000 0.951 535 S CB 0.029 63.186 63.200 -0.072 0.000 0.759 535 S HN 0.621 nan 8.310 nan 0.000 0.523 536 E N 0.627 120.811 120.200 -0.027 0.000 2.479 536 E HA 0.242 4.591 4.350 -0.002 0.000 0.193 536 E C 1.656 178.286 176.600 0.050 0.000 1.049 536 E CA 0.012 56.417 56.400 0.009 0.000 0.870 536 E CB -0.060 29.666 29.700 0.044 0.000 0.944 536 E HN 0.380 nan 8.360 nan 0.000 0.492 537 V N 0.321 120.271 119.914 0.059 0.000 2.358 537 V HA -0.209 3.910 4.120 -0.002 0.000 0.246 537 V C 1.859 178.017 176.094 0.107 0.000 1.047 537 V CA 1.491 63.828 62.300 0.061 0.000 1.035 537 V CB -0.463 31.394 31.823 0.057 0.000 0.658 537 V HN 0.574 nan 8.190 nan 0.000 0.452 538 W N 0.247 121.515 121.300 -0.054 0.000 2.363 538 W HA -0.217 4.442 4.660 -0.002 0.000 0.296 538 W C 2.315 178.807 176.519 -0.045 0.000 1.212 538 W CA 1.773 59.089 57.345 -0.048 0.000 1.260 538 W CB -0.101 29.324 29.460 -0.058 0.000 1.131 538 W HN 0.320 nan 8.180 nan 0.000 0.530 539 L N 1.308 122.561 121.223 0.050 0.000 2.042 539 L HA -0.226 4.113 4.340 -0.002 0.000 0.210 539 L C 2.341 179.141 176.870 -0.117 0.000 1.076 539 L CA 2.296 57.114 54.840 -0.037 0.000 0.749 539 L CB -1.357 40.732 42.059 0.050 0.000 0.893 539 L HN -0.045 nan 8.230 nan 0.000 0.432 540 C N -0.901 118.346 119.300 -0.088 0.000 2.440 540 C HA -0.061 4.398 4.460 -0.002 0.000 0.278 540 C C 2.712 177.601 174.990 -0.169 0.000 1.295 540 C CA 0.596 59.548 59.018 -0.110 0.000 1.738 540 C CB -1.026 26.674 27.740 -0.065 0.000 1.987 540 C HN 0.596 nan 8.230 nan 0.000 0.492 541 L N 0.663 121.741 121.223 -0.242 0.000 2.017 541 L HA -0.157 4.182 4.340 -0.002 0.000 0.208 541 L C 2.803 179.448 176.870 -0.376 0.000 1.073 541 L CA 1.454 56.098 54.840 -0.327 0.000 0.745 541 L CB -0.704 41.070 42.059 -0.475 0.000 0.894 541 L HN 0.351 nan 8.230 nan 0.000 0.432 542 E N -0.225 119.681 120.200 -0.490 0.000 2.110 542 E HA -0.155 4.194 4.350 -0.002 0.000 0.193 542 E C 2.360 178.831 176.600 -0.214 0.000 0.988 542 E CA 1.418 57.593 56.400 -0.375 0.000 0.804 542 E CB -0.152 29.325 29.700 -0.372 0.000 0.745 542 E HN 0.407 nan 8.360 nan 0.000 0.458 543 S N 0.952 116.539 115.700 -0.189 0.000 2.383 543 S HA -0.071 4.398 4.470 -0.002 0.000 0.227 543 S C 2.114 176.642 174.600 -0.120 0.000 1.026 543 S CA 0.908 59.020 58.200 -0.147 0.000 0.981 543 S CB -0.088 63.015 63.200 -0.161 0.000 0.818 543 S HN 0.379 nan 8.310 nan 0.000 0.472 544 A N 2.624 125.375 122.820 -0.115 0.000 1.933 544 A HA -0.132 4.187 4.320 -0.002 0.000 0.218 544 A C 1.929 179.488 177.584 -0.042 0.000 1.175 544 A CA 1.432 53.432 52.037 -0.061 0.000 0.628 544 A CB -0.615 18.351 19.000 -0.058 0.000 0.814 544 A HN 0.412 nan 8.150 nan 0.000 0.444 545 N N -0.211 118.439 118.700 -0.083 0.000 2.120 545 N HA -0.159 4.580 4.740 -0.002 0.000 0.188 545 N C 1.731 177.223 175.510 -0.030 0.000 1.024 545 N CA 1.649 54.661 53.050 -0.062 0.000 0.852 545 N CB -0.367 38.059 38.487 -0.102 0.000 1.003 545 N HN 0.647 nan 8.380 nan 0.000 0.424 546 E N 1.032 121.208 120.200 -0.042 0.000 2.077 546 E HA -0.019 4.330 4.350 -0.002 0.000 0.193 546 E C 2.046 178.668 176.600 0.036 0.000 0.989 546 E CA 0.777 57.168 56.400 -0.014 0.000 0.800 546 E CB -0.363 29.314 29.700 -0.038 0.000 0.746 546 E HN 0.290 nan 8.360 nan 0.000 0.452 547 L N 0.647 121.894 121.223 0.040 0.000 2.046 547 L HA -0.171 4.168 4.340 -0.002 0.000 0.208 547 L C 2.507 179.524 176.870 0.245 0.000 1.077 547 L CA 1.440 56.371 54.840 0.152 0.000 0.747 547 L CB -0.435 41.674 42.059 0.083 0.000 0.896 547 L HN 0.178 nan 8.230 nan 0.000 0.432 548 E N 0.156 120.436 120.200 0.133 0.000 2.077 548 E HA -0.272 4.077 4.350 -0.002 0.000 0.193 548 E C 2.105 178.740 176.600 0.058 0.000 0.989 548 E CA 1.097 57.553 56.400 0.094 0.000 0.800 548 E CB -0.108 29.620 29.700 0.047 0.000 0.746 548 E HN 0.418 nan 8.360 nan 0.000 0.452 549 K N 1.038 121.467 120.400 0.049 0.000 2.147 549 K HA -0.158 4.161 4.320 -0.002 0.000 0.205 549 K C 1.770 178.393 176.600 0.038 0.000 1.049 549 K CA 1.145 57.450 56.287 0.029 0.000 0.936 549 K CB 0.084 32.596 32.500 0.020 0.000 0.722 549 K HN 0.070 nan 8.250 nan 0.000 0.446 550 Q N -0.834 119.023 119.800 0.095 0.000 2.444 550 Q HA 0.078 4.417 4.340 -0.002 0.000 0.206 550 Q C 0.428 176.406 176.000 -0.037 0.000 0.948 550 Q CA 0.488 56.362 55.803 0.118 0.000 0.946 550 Q CB 0.696 29.599 28.738 0.274 0.000 1.027 550 Q HN 0.609 nan 8.270 nan 0.000 0.513 551 G N 0.692 109.439 108.800 -0.090 0.000 2.130 551 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.216 551 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.216 551 G C -0.436 174.178 174.900 -0.477 0.000 0.999 551 G CA -0.500 44.426 45.100 -0.291 0.000 0.686 551 G HN 0.251 nan 8.290 nan 0.000 0.515 552 F N 1.101 121.083 119.950 0.052 0.000 2.427 552 F HA 0.720 5.246 4.527 -0.002 0.000 0.348 552 F C 0.693 176.533 175.800 0.067 0.000 1.125 552 F CA -0.601 57.447 58.000 0.080 0.000 0.989 552 F CB 1.797 40.944 39.000 0.245 0.000 1.165 552 F HN 0.326 nan 8.300 nan 0.000 0.442 553 A N 2.745 125.652 122.820 0.146 0.000 2.488 553 A HA 0.504 4.823 4.320 -0.002 0.000 0.249 553 A C -0.545 177.113 177.584 0.124 0.000 1.083 553 A CA -0.164 51.926 52.037 0.089 0.000 0.768 553 A CB -0.172 18.839 19.000 0.019 0.000 1.017 553 A HN 0.886 nan 8.150 nan 0.000 0.496 554 C N 2.593 121.959 119.300 0.110 0.000 2.626 554 C HA 0.536 4.995 4.460 -0.002 0.000 0.310 554 C C -0.056 174.970 174.990 0.060 0.000 1.191 554 C CA -1.024 58.065 59.018 0.120 0.000 1.517 554 C CB 1.548 29.364 27.740 0.126 0.000 2.102 554 C HN 0.957 nan 8.230 nan 0.000 0.479 555 N N 0.650 119.383 118.700 0.056 0.000 2.508 555 N HA 0.688 5.427 4.740 -0.002 0.000 0.285 555 N C -0.933 174.583 175.510 0.011 0.000 1.144 555 N CA -0.253 52.811 53.050 0.024 0.000 0.978 555 N CB 1.323 39.821 38.487 0.017 0.000 1.180 555 N HN 0.427 nan 8.380 nan 0.000 0.484 556 V N 1.433 121.334 119.914 -0.022 0.000 2.531 556 V HA 0.411 4.530 4.120 -0.002 0.000 0.301 556 V C -0.429 175.605 176.094 -0.101 0.000 1.034 556 V CA -0.785 61.483 62.300 -0.055 0.000 0.865 556 V CB 1.933 33.715 31.823 -0.068 0.000 0.995 556 V HN 0.283 nan 8.190 nan 0.000 0.424 557 V N 3.618 123.452 119.914 -0.134 0.000 2.417 557 V HA 0.549 4.668 4.120 -0.002 0.000 0.291 557 V C 0.351 176.272 176.094 -0.288 0.000 1.024 557 V CA -0.096 62.064 62.300 -0.235 0.000 0.861 557 V CB 1.903 33.596 31.823 -0.218 0.000 0.985 557 V HN 0.917 nan 8.190 nan 0.000 0.436 561 C N 1.053 120.411 119.300 0.097 0.000 2.679 561 C HA 0.496 4.955 4.460 -0.002 0.000 0.354 561 C C 1.435 176.490 174.990 0.108 0.000 1.067 561 C CA -0.957 58.060 59.018 -0.002 0.000 1.317 561 C CB -0.865 26.744 27.740 -0.218 0.000 1.843 561 C HN 0.312 nan 8.230 nan 0.000 0.459 562 F N 3.155 123.127 119.950 0.036 0.000 2.095 562 F HA -0.117 4.409 4.527 -0.002 0.000 0.298 562 F C 1.823 177.729 175.800 0.176 0.000 1.104 562 F CA 2.485 60.584 58.000 0.166 0.000 1.232 562 F CB 0.359 39.461 39.000 0.169 0.000 0.987 562 F HN 0.726 nan 8.300 nan 0.000 0.475 563 E N 0.583 120.972 120.200 0.315 0.000 2.110 563 E HA -0.192 4.157 4.350 -0.002 0.000 0.193 563 E C 2.199 178.852 176.600 0.087 0.000 0.988 563 E CA 1.580 58.099 56.400 0.198 0.000 0.804 563 E CB -0.420 29.352 29.700 0.119 0.000 0.745 563 E HN 0.460 nan 8.360 nan 0.000 0.458 564 L N -0.350 120.902 121.223 0.050 0.000 2.093 564 L HA -0.100 4.239 4.340 -0.002 0.000 0.208 564 L C 2.166 179.096 176.870 0.100 0.000 1.085 564 L CA 0.544 55.415 54.840 0.051 0.000 0.755 564 L CB -0.287 41.798 42.059 0.044 0.000 0.904 564 L HN 0.154 nan 8.230 nan 0.000 0.435 565 F N 1.464 121.352 119.950 -0.103 0.000 2.171 565 F HA -0.202 4.324 4.527 -0.002 0.000 0.300 565 F C 2.351 178.078 175.800 -0.121 0.000 1.090 565 F CA 1.456 59.344 58.000 -0.186 0.000 1.293 565 F CB -0.325 38.431 39.000 -0.407 0.000 1.013 565 F HN 0.113 nan 8.300 nan 0.000 0.486 566 E N -0.151 120.010 120.200 -0.064 0.000 2.209 566 E HA -0.223 4.126 4.350 -0.002 0.000 0.196 566 E C 1.787 178.367 176.600 -0.032 0.000 0.993 566 E CA 1.165 57.550 56.400 -0.024 0.000 0.819 566 E CB -0.168 29.544 29.700 0.020 0.000 0.745 566 E HN 0.465 nan 8.360 nan 0.000 0.477 567 K N 0.372 120.764 120.400 -0.013 0.000 2.426 567 K HA 0.033 4.352 4.320 -0.002 0.000 0.193 567 K C 0.503 177.091 176.600 -0.020 0.000 1.028 567 K CA 0.126 56.408 56.287 -0.007 0.000 1.047 567 K CB 0.323 32.827 32.500 0.005 0.000 0.821 567 K HN 0.015 nan 8.250 nan 0.000 0.513 568 Q N 1.799 121.579 119.800 -0.034 0.000 2.368 568 Q HA 0.020 4.360 4.340 -0.002 0.000 0.237 568 Q C -0.204 175.812 176.000 0.027 0.000 0.987 568 Q CA 0.010 55.803 55.803 -0.016 0.000 0.896 568 Q CB 0.641 29.414 28.738 0.058 0.000 1.241 568 Q HN 0.244 nan 8.270 nan 0.000 0.485 569 D N -0.550 119.892 120.400 0.071 0.000 2.377 569 D HA 0.217 4.856 4.640 -0.002 0.000 0.245 569 D C 0.900 177.272 176.300 0.121 0.000 1.196 569 D CA 0.051 54.101 54.000 0.084 0.000 0.962 569 D CB 0.458 41.306 40.800 0.080 0.000 1.127 569 D HN 0.441 nan 8.370 nan 0.000 0.471 570 K N 0.508 120.958 120.400 0.083 0.000 2.057 570 K HA 0.012 4.331 4.320 -0.002 0.000 0.207 570 K C 2.174 178.835 176.600 0.102 0.000 1.049 570 K CA 1.901 58.233 56.287 0.075 0.000 0.931 570 K CB -1.376 31.154 32.500 0.049 0.000 0.714 570 K HN 0.640 nan 8.250 nan 0.000 0.440 571 A N -0.295 122.594 122.820 0.115 0.000 1.908 571 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 571 A C 2.300 179.985 177.584 0.169 0.000 1.181 571 A CA 1.953 54.062 52.037 0.119 0.000 0.627 571 A CB -0.710 18.360 19.000 0.117 0.000 0.818 571 A HN 0.749 nan 8.150 nan 0.000 0.445 572 Y N 0.419 120.806 120.300 0.144 0.000 2.163 572 Y HA -0.224 4.325 4.550 -0.002 0.000 0.288 572 Y C 2.599 178.644 175.900 0.242 0.000 1.136 572 Y CA 2.297 60.540 58.100 0.239 0.000 1.147 572 Y CB -0.393 38.197 38.460 0.216 0.000 0.987 572 Y HN 0.438 nan 8.280 nan 0.000 0.509 573 Q N -0.055 119.893 119.800 0.247 0.000 2.084 573 Q HA -0.222 4.117 4.340 -0.002 0.000 0.202 573 Q C 2.065 178.122 176.000 0.094 0.000 0.978 573 Q CA 1.948 57.853 55.803 0.169 0.000 0.844 573 Q CB -0.193 28.558 28.738 0.022 0.000 0.898 573 Q HN 0.630 nan 8.270 nan 0.000 0.426 574 E N 0.364 120.602 120.200 0.064 0.000 2.150 574 E HA -0.173 4.176 4.350 -0.002 0.000 0.193 574 E C 1.989 178.585 176.600 -0.006 0.000 0.985 574 E CA 0.493 56.916 56.400 0.039 0.000 0.814 574 E CB -0.015 29.706 29.700 0.035 0.000 0.752 574 E HN 0.185 nan 8.360 nan 0.000 0.466 575 R N 0.551 121.017 120.500 -0.057 0.000 2.075 575 R HA -0.154 4.185 4.340 -0.002 0.000 0.232 575 R C 2.016 178.248 176.300 -0.114 0.000 1.126 575 R CA 0.958 56.973 56.100 -0.142 0.000 0.963 575 R CB -0.039 30.085 30.300 -0.293 0.000 0.858 575 R HN 0.051 nan 8.270 nan 0.000 0.435 576 L N 0.588 121.755 121.223 -0.094 0.000 2.027 576 L HA -0.035 4.304 4.340 -0.002 0.000 0.206 576 L C 0.798 177.675 176.870 0.011 0.000 1.074 576 L CA 1.381 56.191 54.840 -0.051 0.000 0.745 576 L CB -0.296 41.725 42.059 -0.063 0.000 0.898 576 L HN 0.155 nan 8.230 nan 0.000 0.433 577 L N 1.243 122.503 121.223 0.062 0.000 2.397 577 L HA 0.217 4.556 4.340 -0.002 0.000 0.263 577 L C -0.166 176.762 176.870 0.097 0.000 1.136 577 L CA -0.329 54.575 54.840 0.107 0.000 1.019 577 L CB -0.152 42.005 42.059 0.164 0.000 1.352 577 L HN -0.026 nan 8.230 nan 0.000 0.420 578 K N 1.765 122.211 120.400 0.077 0.000 2.164 578 K HA 0.701 5.020 4.320 -0.002 0.000 0.258 578 K C 0.645 177.287 176.600 0.070 0.000 0.951 578 K CA 0.046 56.366 56.287 0.056 0.000 0.844 578 K CB 2.114 34.624 32.500 0.016 0.000 1.099 578 K HN 0.527 nan 8.250 nan 0.000 0.435 579 G N 2.180 111.003 108.800 0.037 0.000 2.547 579 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.271 579 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.271 579 G C -0.461 174.456 174.900 0.028 0.000 1.209 579 G CA 0.014 45.100 45.100 -0.022 0.000 0.959 579 G HN 0.640 nan 8.290 nan 0.000 0.563 580 E N -0.465 119.727 120.200 -0.013 0.000 2.194 580 E HA 0.485 4.834 4.350 -0.002 0.000 0.284 580 E C -0.113 176.682 176.600 0.325 0.000 1.035 580 E CA -0.629 55.800 56.400 0.049 0.000 0.836 580 E CB 0.925 30.664 29.700 0.065 0.000 1.070 580 E HN 0.481 nan 8.360 nan 0.000 0.401 581 V N 6.481 126.724 119.914 0.548 0.000 2.370 581 V HA 0.313 4.432 4.120 -0.002 0.000 0.279 581 V C -0.237 176.035 176.094 0.297 0.000 1.029 581 V CA -0.607 61.911 62.300 0.364 0.000 0.870 581 V CB 0.963 32.962 31.823 0.293 0.000 0.984 581 V HN 0.568 nan 8.190 nan 0.000 0.451 582 I N 4.211 124.906 120.570 0.209 0.000 2.382 582 I HA 0.582 4.751 4.170 -0.002 0.000 0.286 582 I C 0.823 177.016 176.117 0.127 0.000 1.002 582 I CA 0.118 61.527 61.300 0.181 0.000 1.135 582 I CB 1.694 39.789 38.000 0.158 0.000 1.288 582 I HN 0.654 nan 8.210 nan 0.000 0.448 583 G N 5.455 114.322 108.800 0.111 0.000 2.372 583 G HA2 0.590 4.549 3.960 -0.002 0.000 0.283 583 G HA3 0.590 4.549 3.960 -0.002 0.000 0.283 583 G C -0.812 174.152 174.900 0.106 0.000 1.177 583 G CA -0.324 44.832 45.100 0.092 0.000 0.842 583 G HN 0.373 nan 8.290 nan 0.000 0.503 584 V N 2.711 122.698 119.914 0.122 0.000 2.482 584 V HA 0.525 4.644 4.120 -0.002 0.000 0.295 584 V C -0.381 175.836 176.094 0.204 0.000 1.026 584 V CA -0.647 61.772 62.300 0.198 0.000 0.856 584 V CB 1.344 33.262 31.823 0.159 0.000 1.001 584 V HN 0.866 nan 8.190 nan 0.000 0.424 585 E N 2.438 122.790 120.200 0.254 0.000 2.352 585 E HA 0.588 4.937 4.350 -0.002 0.000 0.280 585 E C -0.626 176.052 176.600 0.128 0.000 0.930 585 E CA -0.896 55.591 56.400 0.144 0.000 0.765 585 E CB 2.470 32.226 29.700 0.094 0.000 1.219 585 E HN 0.720 nan 8.360 nan 0.000 0.434 586 A N 1.942 124.695 122.820 -0.112 0.000 3.063 586 A HA 0.597 4.916 4.320 -0.002 0.000 0.263 586 A C -0.223 177.313 177.584 -0.080 0.000 1.736 586 A CA 0.531 52.412 52.037 -0.259 0.000 1.408 586 A CB -0.602 18.167 19.000 -0.385 0.000 1.108 586 A HN 0.494 nan 8.150 nan 0.000 0.621 587 A N 0.261 123.086 122.820 0.008 0.000 2.586 587 A HA 0.569 4.888 4.320 -0.002 0.000 0.291 587 A C -0.860 176.768 177.584 0.073 0.000 1.062 587 A CA -0.585 51.462 52.037 0.016 0.000 0.666 587 A CB 0.442 19.462 19.000 0.034 0.000 1.281 587 A HN 0.677 nan 8.150 nan 0.000 0.421 588 H N 1.642 120.667 119.070 -0.075 0.000 2.741 588 H HA 0.471 5.027 4.556 -0.002 0.000 0.261 588 H C -0.353 174.943 175.328 -0.052 0.000 1.365 588 H CA 0.376 56.382 56.048 -0.071 0.000 1.266 588 H CB 0.377 30.069 29.762 -0.116 0.000 1.485 588 H HN 0.573 nan 8.280 nan 0.000 0.529 589 S N 2.802 118.477 115.700 -0.042 0.000 2.080 589 S HA 0.119 4.588 4.470 -0.002 0.000 0.162 589 S C 0.416 174.962 174.600 -0.090 0.000 1.618 589 S CA -0.904 57.235 58.200 -0.102 0.000 1.200 589 S CB 0.071 63.240 63.200 -0.051 0.000 1.135 589 S HN 0.725 nan 8.310 nan 0.000 0.455 590 N N 2.425 121.046 118.700 -0.131 0.000 2.453 590 N HA -0.144 4.595 4.740 -0.002 0.000 0.183 590 N C 1.982 177.556 175.510 0.106 0.000 1.041 590 N CA 0.948 54.035 53.050 0.060 0.000 0.900 590 N CB 0.030 38.532 38.487 0.025 0.000 0.961 590 N HN 0.748 nan 8.380 nan 0.000 0.443 591 E N 1.691 121.868 120.200 -0.039 0.000 2.267 591 E HA -0.206 4.143 4.350 -0.002 0.000 0.197 591 E C 1.630 178.324 176.600 0.156 0.000 0.998 591 E CA 0.826 57.207 56.400 -0.031 0.000 0.830 591 E CB -0.546 28.956 29.700 -0.329 0.000 0.751 591 E HN 0.499 nan 8.360 nan 0.000 0.491 592 L N -0.099 121.202 121.223 0.131 0.000 2.265 592 L HA -0.146 4.193 4.340 -0.002 0.000 0.215 592 L C 2.000 178.949 176.870 0.131 0.000 1.117 592 L CA 0.988 55.970 54.840 0.237 0.000 0.782 592 L CB -0.622 41.491 42.059 0.090 0.000 0.914 592 L HN 0.049 nan 8.230 nan 0.000 0.441 593 Y N 0.098 120.464 120.300 0.110 0.000 2.569 593 Y HA -0.225 4.324 4.550 -0.002 0.000 0.293 593 Y C 2.483 178.359 175.900 -0.040 0.000 1.144 593 Y CA 0.946 59.075 58.100 0.048 0.000 1.321 593 Y CB -0.455 38.022 38.460 0.027 0.000 0.982 593 Y HN 0.147 nan 8.280 nan 0.000 0.558 594 K N -0.360 120.050 120.400 0.017 0.000 2.103 594 K HA -0.182 4.137 4.320 -0.002 0.000 0.207 594 K C 0.689 176.983 176.600 -0.510 0.000 1.048 594 K CA 1.784 57.871 56.287 -0.332 0.000 0.930 594 K CB -0.188 31.981 32.500 -0.552 0.000 0.716 594 K HN 0.272 nan 8.250 nan 0.000 0.444 595 F N -0.846 119.145 119.950 0.069 0.000 2.752 595 F HA 0.236 4.762 4.527 -0.002 0.000 0.310 595 F C 0.409 176.212 175.800 0.005 0.000 1.097 595 F CA -0.683 57.337 58.000 0.032 0.000 1.238 595 F CB 0.465 39.541 39.000 0.126 0.000 1.061 595 F HN -0.115 nan 8.300 nan 0.000 0.591 596 C N 0.115 119.500 119.300 0.142 0.000 2.493 596 C HA 0.350 4.809 4.460 -0.002 0.000 0.326 596 C C 1.694 176.705 174.990 0.035 0.000 1.200 596 C CA -0.592 58.472 59.018 0.076 0.000 1.739 596 C CB 1.043 28.828 27.740 0.076 0.000 2.300 596 C HN 0.406 nan 8.230 nan 0.000 0.500 597 H N 0.480 119.669 119.070 0.198 0.000 2.403 597 H HA 0.076 4.631 4.556 -0.002 0.000 0.298 597 H C 0.216 175.720 175.328 0.294 0.000 1.059 597 H CA 0.960 57.144 56.048 0.226 0.000 1.363 597 H CB 0.367 30.228 29.762 0.165 0.000 1.410 597 H HN 0.566 nan 8.280 nan 0.000 0.528 598 K N 0.741 121.344 120.400 0.338 0.000 2.426 598 K HA 0.531 4.850 4.320 -0.002 0.000 0.251 598 K C -1.188 175.482 176.600 0.117 0.000 0.941 598 K CA -0.641 55.841 56.287 0.325 0.000 0.808 598 K CB 3.684 36.406 32.500 0.370 0.000 1.265 598 K HN -0.232 nan 8.250 nan 0.000 0.432 599 V N 2.391 122.322 119.914 0.028 0.000 2.531 599 V HA 0.237 4.356 4.120 -0.002 0.000 0.301 599 V C -1.552 174.562 176.094 0.033 0.000 1.034 599 V CA -0.835 61.407 62.300 -0.096 0.000 0.865 599 V CB 1.333 32.873 31.823 -0.473 0.000 0.995 599 V HN 0.688 nan 8.190 nan 0.000 0.424 600 Y N 4.205 124.404 120.300 -0.169 0.000 2.721 600 Y HA 0.738 5.287 4.550 -0.002 0.000 0.328 600 Y C 0.492 176.325 175.900 -0.112 0.000 1.003 600 Y CA 0.054 57.932 58.100 -0.369 0.000 1.275 600 Y CB 0.978 39.100 38.460 -0.562 0.000 1.097 600 Y HN 0.756 nan 8.280 nan 0.000 0.514 601 G N 4.077 112.776 108.800 -0.168 0.000 3.247 601 G HA2 0.570 4.529 3.960 -0.002 0.000 0.226 601 G HA3 0.570 4.529 3.960 -0.002 0.000 0.226 601 G C -1.471 173.436 174.900 0.012 0.000 1.220 601 G CA -0.896 44.241 45.100 0.061 0.000 0.875 601 G HN 0.365 nan 8.290 nan 0.000 0.606 602 I N 0.218 120.819 120.570 0.053 0.000 2.466 602 I HA 0.356 4.525 4.170 -0.002 0.000 0.289 602 I C 0.104 176.119 176.117 -0.169 0.000 1.026 602 I CA -0.348 60.929 61.300 -0.039 0.000 1.078 602 I CB 2.703 40.626 38.000 -0.128 0.000 1.249 602 I HN 0.619 nan 8.210 nan 0.000 0.429 603 E N 2.616 122.670 120.200 -0.244 0.000 2.473 603 E HA 0.061 4.410 4.350 -0.002 0.000 0.204 603 E C 0.390 176.697 176.600 -0.487 0.000 0.994 603 E CA 0.025 56.104 56.400 -0.535 0.000 0.945 603 E CB 0.809 30.307 29.700 -0.337 0.000 0.990 603 E HN 0.725 nan 8.360 nan 0.000 0.493 604 S N -0.526 115.000 115.700 -0.289 0.000 2.766 604 S HA 0.471 4.940 4.470 -0.002 0.000 0.307 604 S C -0.064 174.339 174.600 -0.329 0.000 1.121 604 S CA -0.891 57.162 58.200 -0.245 0.000 0.980 604 S CB 0.706 63.920 63.200 0.023 0.000 1.159 604 S HN -0.088 nan 8.310 nan 0.000 0.546 605 F N 0.856 120.771 119.950 -0.060 0.000 2.435 605 F HA 0.539 5.065 4.527 -0.002 0.000 0.316 605 F C 1.666 177.423 175.800 -0.071 0.000 1.220 605 F CA 0.530 58.481 58.000 -0.082 0.000 1.241 605 F CB -0.046 38.927 39.000 -0.044 0.000 1.234 605 F HN 0.927 nan 8.300 nan 0.000 0.569 606 G N -0.392 108.467 108.800 0.098 0.000 2.504 606 G HA2 0.454 4.413 3.960 -0.002 0.000 0.257 606 G HA3 0.454 4.413 3.960 -0.002 0.000 0.257 606 G C -0.897 174.137 174.900 0.223 0.000 1.451 606 G CA -0.376 44.718 45.100 -0.009 0.000 1.059 606 G HN 0.448 nan 8.290 nan 0.000 0.550 607 E N -1.124 119.200 120.200 0.206 0.000 2.366 607 E HA 0.317 4.666 4.350 -0.002 0.000 0.278 607 E C -1.135 175.510 176.600 0.076 0.000 0.923 607 E CA -0.647 55.852 56.400 0.164 0.000 0.761 607 E CB 1.933 31.757 29.700 0.207 0.000 1.231 607 E HN 0.314 nan 8.360 nan 0.000 0.443 608 S N 0.931 116.657 115.700 0.043 0.000 2.455 608 S HA 0.631 5.100 4.470 -0.002 0.000 0.278 608 S C -0.053 174.556 174.600 0.015 0.000 1.216 608 S CA 0.396 58.605 58.200 0.015 0.000 1.055 608 S CB -0.056 63.147 63.200 0.005 0.000 0.939 608 S HN 0.630 nan 8.310 nan 0.000 0.494 609 G N 3.935 112.739 108.800 0.006 0.000 2.451 609 G HA2 0.286 4.245 3.960 -0.002 0.000 0.292 609 G HA3 0.286 4.245 3.960 -0.002 0.000 0.292 609 G C -1.750 173.153 174.900 0.004 0.000 1.427 609 G CA -1.032 44.074 45.100 0.009 0.000 0.792 609 G HN 0.649 nan 8.290 nan 0.000 0.498 610 K N 0.553 120.961 120.400 0.014 0.000 2.485 610 K HA 0.082 4.401 4.320 -0.002 0.000 0.277 610 K C 1.207 177.824 176.600 0.027 0.000 0.990 610 K CA 0.428 56.727 56.287 0.020 0.000 0.994 610 K CB 0.973 33.491 32.500 0.030 0.000 0.906 610 K HN 0.664 nan 8.250 nan 0.000 0.488 611 D N 3.551 123.967 120.400 0.026 0.000 2.133 611 D HA -0.265 4.374 4.640 -0.002 0.000 0.192 611 D C 0.944 177.341 176.300 0.160 0.000 1.001 611 D CA 1.820 55.844 54.000 0.039 0.000 0.844 611 D CB -0.075 40.773 40.800 0.081 0.000 0.944 611 D HN 0.447 nan 8.370 nan 0.000 0.447 612 K N -0.036 120.469 120.400 0.175 0.000 2.097 612 K HA -0.106 4.213 4.320 -0.002 0.000 0.206 612 K C 1.758 178.469 176.600 0.185 0.000 1.049 612 K CA 1.397 57.812 56.287 0.214 0.000 0.933 612 K CB -0.033 32.549 32.500 0.136 0.000 0.717 612 K HN 0.163 nan 8.250 nan 0.000 0.442 613 D N 0.314 120.783 120.400 0.116 0.000 2.144 613 D HA -0.111 4.528 4.640 -0.002 0.000 0.200 613 D C 1.934 178.294 176.300 0.100 0.000 0.978 613 D CA 0.870 54.922 54.000 0.088 0.000 0.833 613 D CB -0.154 40.677 40.800 0.050 0.000 0.961 613 D HN -0.061 nan 8.370 nan 0.000 0.470 614 V N 0.536 120.506 119.914 0.093 0.000 2.379 614 V HA -0.191 3.928 4.120 -0.002 0.000 0.245 614 V C 2.127 178.359 176.094 0.230 0.000 1.044 614 V CA 1.109 63.480 62.300 0.118 0.000 1.036 614 V CB -0.556 31.275 31.823 0.013 0.000 0.664 614 V HN 0.033 nan 8.190 nan 0.000 0.453 615 F N 0.779 120.861 119.950 0.220 0.000 2.171 615 F HA -0.157 4.369 4.527 -0.002 0.000 0.300 615 F C 2.468 178.452 175.800 0.308 0.000 1.090 615 F CA 1.920 60.095 58.000 0.292 0.000 1.293 615 F CB -0.476 38.638 39.000 0.189 0.000 1.013 615 F HN 0.196 nan 8.300 nan 0.000 0.486 616 E N 0.549 120.960 120.200 0.353 0.000 2.072 616 E HA -0.226 4.123 4.350 -0.002 0.000 0.191 616 E C 2.275 178.940 176.600 0.109 0.000 0.985 616 E CA 1.192 57.714 56.400 0.204 0.000 0.801 616 E CB -0.165 29.612 29.700 0.129 0.000 0.750 616 E HN 0.102 nan 8.360 nan 0.000 0.452 617 R N -0.452 120.074 120.500 0.043 0.000 2.103 617 R HA -0.112 4.227 4.340 -0.002 0.000 0.242 617 R C 1.468 177.575 176.300 -0.322 0.000 1.142 617 R CA 1.701 57.694 56.100 -0.178 0.000 0.960 617 R CB -0.824 29.310 30.300 -0.277 0.000 0.858 617 R HN 0.267 nan 8.270 nan 0.000 0.439 618 F N -0.563 119.446 119.950 0.099 0.000 2.732 618 F HA 0.330 4.856 4.527 -0.002 0.000 0.303 618 F C 1.493 177.214 175.800 -0.131 0.000 1.110 618 F CA 0.661 58.703 58.000 0.069 0.000 1.355 618 F CB 0.688 39.828 39.000 0.234 0.000 1.081 618 F HN 0.364 nan 8.300 nan 0.000 0.565 619 G N -0.444 108.361 108.800 0.008 0.000 2.157 619 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.239 619 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.239 619 G C 0.141 174.965 174.900 -0.125 0.000 0.982 619 G CA -0.571 44.453 45.100 -0.127 0.000 0.650 619 G HN 0.204 nan 8.290 nan 0.000 0.527 620 F N 3.020 123.132 119.950 0.270 0.000 2.626 620 F HA 0.552 5.078 4.527 -0.002 0.000 0.353 620 F C 1.052 176.921 175.800 0.116 0.000 1.230 620 F CA 0.124 58.260 58.000 0.228 0.000 1.298 620 F CB 0.495 39.649 39.000 0.257 0.000 1.670 620 F HN 0.343 nan 8.300 nan 0.000 0.633 621 S N -1.144 114.636 115.700 0.134 0.000 2.595 621 S HA 0.516 4.985 4.470 -0.002 0.000 0.281 621 S C 0.430 175.029 174.600 -0.002 0.000 1.117 621 S CA -0.849 57.394 58.200 0.071 0.000 0.873 621 S CB 1.598 64.836 63.200 0.063 0.000 1.108 621 S HN -0.014 nan 8.310 nan 0.000 0.477 622 V N 1.842 121.746 119.914 -0.016 0.000 2.287 622 V HA -0.143 3.976 4.120 -0.002 0.000 0.248 622 V C 2.882 178.935 176.094 -0.068 0.000 1.053 622 V CA 2.551 64.814 62.300 -0.060 0.000 1.027 622 V CB -1.073 30.716 31.823 -0.056 0.000 0.646 622 V HN 1.019 nan 8.190 nan 0.000 0.447 623 S N -0.740 114.938 115.700 -0.037 0.000 2.370 623 S HA -0.254 4.215 4.470 -0.002 0.000 0.226 623 S C 2.062 176.637 174.600 -0.041 0.000 1.033 623 S CA 1.943 60.123 58.200 -0.033 0.000 1.011 623 S CB -0.198 62.996 63.200 -0.010 0.000 0.852 623 S HN 0.632 nan 8.310 nan 0.000 0.457 624 K N 0.149 120.531 120.400 -0.030 0.000 2.062 624 K HA -0.004 4.315 4.320 -0.002 0.000 0.205 624 K C 2.076 178.622 176.600 -0.090 0.000 1.051 624 K CA 1.164 57.445 56.287 -0.010 0.000 0.941 624 K CB -0.335 32.189 32.500 0.041 0.000 0.719 624 K HN 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175.800 -0.197 0.000 1.105 628 F CA 1.089 59.013 58.000 -0.126 0.000 1.239 628 F CB -0.261 38.673 39.000 -0.110 0.000 0.991 628 F HN -0.072 nan 8.300 nan 0.000 0.474 629 I N 0.211 120.636 120.570 -0.242 0.000 2.286 629 I HA -0.283 3.886 4.170 -0.002 0.000 0.248 629 I C 1.787 177.563 176.117 -0.569 0.000 1.115 629 I CA 1.111 62.105 61.300 -0.509 0.000 1.392 629 I CB -0.428 37.171 38.000 -0.670 0.000 1.065 629 I HN 0.156 nan 8.210 nan 0.000 0.418 630 L N 0.876 121.839 121.223 -0.434 0.000 2.627 630 L HA 0.073 4.412 4.340 -0.002 0.000 0.232 630 L C 0.970 177.721 176.870 -0.198 0.000 1.150 630 L CA 0.078 54.724 54.840 -0.324 0.000 0.917 630 L CB -0.476 41.407 42.059 -0.292 0.000 1.104 630 L HN 0.418 nan 8.230 nan 0.000 0.445 631 S N -0.930 114.625 115.700 -0.242 0.000 3.491 631 S HA -0.219 4.250 4.470 -0.002 0.000 0.371 631 S C -0.007 174.529 174.600 -0.107 0.000 0.980 631 S CA 1.097 59.178 58.200 -0.198 0.000 1.204 631 S CB -2.176 60.923 63.200 -0.168 0.000 0.915 631 S HN 0.771 nan 8.310 nan 0.000 0.482 632 K N 0.000 120.348 120.400 -0.086 0.000 2.780 632 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 632 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 632 K CB 0.000 32.481 32.500 -0.031 0.000 1.064 632 K HN 0.000 nan 8.250 nan 0.000 0.543