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 3hb9_1_C DATA FIRST_RESID 36 DATA SEQUENCE QIKKLLVANR GEIAIRIFRA AAELDISTVA IYSNEDKSSL HRYKADESYL DATA SEQUENCE VGSDLGPAES YLNIERIIDV AKQANVDAIH PGYGFLSENE QFARRCAEEG DATA SEQUENCE IKFIGPHLEH LDMFGDKVKA RTTAIKADLP VIPGTDGPIK SYELAKEFAE DATA SEQUENCE EAGFPLMIKA TSGGGGKGMR IVREESELED AFHRAKSEAE KSFGNSEVYI DATA SEQUENCE ERYIDNPKHI EVQVIGDEHG NIVHLFERDC SVQRRHQKVV EVAPSVGLSP DATA SEQUENCE TLRQRICDAA IQLMENIKYV NAGTVEFLVS XGDEFFFIEV NPRVQVEHTI DATA SEQUENCE TEMVTGIDIV KTQILVAAGA DGEEINPQQK DITTLGYAIQ CRITTEDPLN DATA SEQUENCE DFMPDTGTII AYRSSGGFGV RLDAGDGFQG AEISPYYDSL LVKLSTHAIS DATA SEQUENCE FKQAEEKMVR SLREMRIRGV KTNIPFLINV MKNKKFTSGD YTTKFIEETP DATA SEQUENCE ELFDIQPSLD RGTKTLEYIG NVTINGFPXN VEKRPKPDYE LASIPTVSSS DATA SEQUENCE KIFSGTKQLL DEVGPKGVAE WVKKQDDVLL TDTTFRDAHQ SLLATRVRTK DATA SEQUENCE DMINIASKTA DVFKDGFSLE MWGGTTFDVA YNFLKENPWE RLERLRKAIP DATA SEQUENCE NVLFQMLLRA SNAVGYKNYP DNVIHKFVQE SAKAGIDVFR IFDSLNWVDQ DATA SEQUENCE MKVANEAVQE AGKISEGTIC YTGDILNPER SIYTLEYYVK LAKELEREGF DATA SEQUENCE HILAIKDMAG LLKPKAAYEL IGELKSAVXD LPIHLHTHDT SGNGLLTYKQ DATA SEQUENCE AIDAGVDIID TAVASMSGLT SQPSANSLYY ALNGFPRHLR TDIEGMESLS DATA SEQUENCE HYWSTVRTYY SDFEXXSDIK SPNTEIYQHE MPGGQYSNLS QQAKSLGLGE DATA SEQUENCE RFDEVKDMYR RVNFLFGDIV KVTPSSKVVG DMALYMVQND LDEQSVITDG DATA SEQUENCE YKLDFPESVV SFFKGEIGQP VNGFNKDLQA VILKGQEALT ARPGEYLEPV DATA SEQUENCE DFEKVRELLE EEQQGPVTEQ DIISYVLYPK VYEQYIQTRN QYGNLSLLDT DATA SEQUENCE PTFFFGMRNG ETVEIEIDKG KRLIIKLETI SEPDENGNRT IYYAMNGQAR DATA SEQUENCE RIYIKDENXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXTEAMKM ET 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 36 Q HA 0.000 nan 4.340 nan 0.000 0.214 36 Q C 0.000 176.018 176.000 0.031 0.000 1.003 36 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 36 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 37 I N 2.594 123.185 120.570 0.034 0.000 2.352 37 I HA 0.248 4.418 4.170 0.001 0.000 0.290 37 I C 0.562 176.703 176.117 0.040 0.000 1.036 37 I CA -0.122 61.201 61.300 0.038 0.000 1.336 37 I CB 1.081 39.106 38.000 0.042 0.000 1.407 37 I HN 0.174 nan 8.210 nan 0.000 0.497 38 K N 4.564 124.988 120.400 0.040 0.000 2.403 38 K HA 0.252 4.572 4.320 0.001 0.000 0.199 38 K C -0.113 176.515 176.600 0.047 0.000 1.199 38 K CA 0.027 56.337 56.287 0.040 0.000 0.924 38 K CB 0.609 33.129 32.500 0.033 0.000 1.137 38 K HN 0.350 nan 8.250 nan 0.000 0.510 39 K N 1.931 122.363 120.400 0.052 0.000 2.483 39 K HA 0.336 4.656 4.320 0.001 0.000 0.256 39 K C -1.305 175.343 176.600 0.080 0.000 0.961 39 K CA -0.332 55.994 56.287 0.064 0.000 0.873 39 K CB 2.268 34.804 32.500 0.060 0.000 1.107 39 K HN 0.027 nan 8.250 nan 0.000 0.432 40 L N 4.076 125.361 121.223 0.103 0.000 2.307 40 L HA 0.517 4.858 4.340 0.001 0.000 0.284 40 L C -1.081 175.894 176.870 0.175 0.000 1.023 40 L CA -0.964 53.953 54.840 0.129 0.000 0.810 40 L CB 1.224 43.365 42.059 0.137 0.000 1.231 40 L HN 0.581 nan 8.230 nan 0.000 0.423 41 L N 5.287 126.615 121.223 0.176 0.000 2.329 41 L HA 0.584 4.925 4.340 0.001 0.000 0.279 41 L C -1.109 175.896 176.870 0.226 0.000 1.014 41 L CA -0.635 54.336 54.840 0.219 0.000 0.814 41 L CB 1.946 44.115 42.059 0.184 0.000 1.257 41 L HN 0.387 nan 8.230 nan 0.000 0.424 42 V N 5.044 125.116 119.914 0.263 0.000 2.333 42 V HA 0.366 4.486 4.120 0.001 0.000 0.274 42 V C 0.730 176.916 176.094 0.154 0.000 1.028 42 V CA -0.357 62.028 62.300 0.142 0.000 0.851 42 V CB 1.223 33.000 31.823 -0.077 0.000 1.000 42 V HN 0.879 nan 8.190 nan 0.000 0.456 43 A N 4.995 127.909 122.820 0.156 0.000 3.074 43 A HA 0.471 4.792 4.320 0.001 0.000 0.251 43 A C 0.341 177.905 177.584 -0.033 0.000 1.695 43 A CA 0.207 52.324 52.037 0.133 0.000 1.343 43 A CB -0.823 18.310 19.000 0.222 0.000 1.078 43 A HN 0.902 nan 8.150 nan 0.000 0.644 44 N N -0.865 117.762 118.700 -0.121 0.000 3.378 44 N HA 0.603 5.344 4.740 0.001 0.000 0.294 44 N C -0.724 174.429 175.510 -0.596 0.000 1.544 44 N CA -0.797 51.971 53.050 -0.470 0.000 0.872 44 N CB 1.039 39.298 38.487 -0.380 0.000 1.670 44 N HN 0.562 nan 8.380 nan 0.000 0.551 45 R N -0.251 119.722 120.500 -0.877 0.000 2.846 45 R HA 0.814 5.154 4.340 0.001 0.000 0.263 45 R C 0.187 176.035 176.300 -0.753 0.000 1.080 45 R CA -0.201 55.166 56.100 -1.222 0.000 0.961 45 R CB 0.520 30.034 30.300 -1.310 0.000 1.231 45 R HN 0.725 nan 8.270 nan 0.000 0.465 46 G N 0.936 109.352 108.800 -0.639 0.000 2.569 46 G HA2 -0.420 3.541 3.960 0.001 0.000 0.259 46 G HA3 -0.420 3.541 3.960 0.001 0.000 0.259 46 G C 0.584 175.395 174.900 -0.147 0.000 1.263 46 G CA 0.851 45.808 45.100 -0.239 0.000 0.928 46 G HN 1.017 nan 8.290 nan 0.000 0.572 47 E N -0.436 119.729 120.200 -0.058 0.000 2.110 47 E HA -0.015 4.335 4.350 0.001 0.000 0.193 47 E C 2.427 178.991 176.600 -0.061 0.000 0.988 47 E CA 2.197 58.592 56.400 -0.008 0.000 0.804 47 E CB -0.134 29.608 29.700 0.071 0.000 0.745 47 E HN 0.825 nan 8.360 nan 0.000 0.458 48 I N 0.660 121.143 120.570 -0.145 0.000 2.439 48 I HA -0.012 4.159 4.170 0.001 0.000 0.251 48 I C 2.187 178.071 176.117 -0.389 0.000 1.139 48 I CA 1.105 62.265 61.300 -0.235 0.000 1.438 48 I CB -0.663 37.068 38.000 -0.448 0.000 1.085 48 I HN 0.243 nan 8.210 nan 0.000 0.427 49 A N 1.048 123.598 122.820 -0.449 0.000 1.865 49 A HA -0.195 4.125 4.320 0.001 0.000 0.217 49 A C 2.219 179.268 177.584 -0.893 0.000 1.191 49 A CA 2.049 53.672 52.037 -0.689 0.000 0.623 49 A CB -0.914 17.828 19.000 -0.430 0.000 0.826 49 A HN 0.407 nan 8.150 nan 0.000 0.444 50 I N -0.351 120.032 120.570 -0.311 0.000 2.151 50 I HA -0.268 3.902 4.170 0.001 0.000 0.243 50 I C 2.561 178.624 176.117 -0.091 0.000 1.080 50 I CA 2.169 63.452 61.300 -0.028 0.000 1.339 50 I CB -1.349 36.687 38.000 0.060 0.000 1.039 50 I HN 0.379 nan 8.210 nan 0.000 0.409 51 R N 1.737 122.157 120.500 -0.134 0.000 2.083 51 R HA -0.153 4.188 4.340 0.001 0.000 0.237 51 R C 2.112 178.325 176.300 -0.146 0.000 1.137 51 R CA 1.662 57.716 56.100 -0.077 0.000 0.951 51 R CB -0.482 29.808 30.300 -0.017 0.000 0.851 51 R HN 0.297 nan 8.270 nan 0.000 0.434 52 I N -0.049 120.316 120.570 -0.342 0.000 2.315 52 I HA -0.212 3.959 4.170 0.001 0.000 0.248 52 I C 2.155 178.193 176.117 -0.132 0.000 1.117 52 I CA 1.296 62.386 61.300 -0.351 0.000 1.404 52 I CB -1.287 36.360 38.000 -0.587 0.000 1.071 52 I HN 0.113 nan 8.210 nan 0.000 0.419 53 F N 1.339 121.266 119.950 -0.039 0.000 2.102 53 F HA -0.166 4.362 4.527 0.001 0.000 0.298 53 F C 2.859 178.660 175.800 0.002 0.000 1.105 53 F CA 0.685 58.681 58.000 -0.007 0.000 1.239 53 F CB -0.451 38.550 39.000 0.001 0.000 0.991 53 F HN -0.025 nan 8.300 nan 0.000 0.474 54 R N 0.700 121.307 120.500 0.178 0.000 2.080 54 R HA -0.188 4.153 4.340 0.001 0.000 0.236 54 R C 2.423 178.773 176.300 0.083 0.000 1.137 54 R CA 1.477 57.643 56.100 0.111 0.000 0.943 54 R CB -1.187 29.162 30.300 0.081 0.000 0.846 54 R HN 0.325 nan 8.270 nan 0.000 0.431 55 A N 1.031 123.886 122.820 0.060 0.000 1.933 55 A HA -0.051 4.270 4.320 0.001 0.000 0.218 55 A C 2.370 179.992 177.584 0.063 0.000 1.175 55 A CA 1.715 53.782 52.037 0.050 0.000 0.628 55 A CB -0.437 18.580 19.000 0.029 0.000 0.814 55 A HN 0.398 nan 8.150 nan 0.000 0.444 56 A N -0.286 122.584 122.820 0.082 0.000 1.897 56 A HA 0.278 4.598 4.320 0.001 0.000 0.215 56 A C 2.464 180.097 177.584 0.082 0.000 1.181 56 A CA 1.708 53.800 52.037 0.092 0.000 0.620 56 A CB -0.888 18.190 19.000 0.130 0.000 0.821 56 A HN 0.977 nan 8.150 nan 0.000 0.443 57 A N -0.007 122.867 122.820 0.089 0.000 1.930 57 A HA -0.145 4.176 4.320 0.001 0.000 0.217 57 A C 1.847 179.462 177.584 0.051 0.000 1.175 57 A CA 1.569 53.645 52.037 0.065 0.000 0.627 57 A CB -0.480 18.559 19.000 0.066 0.000 0.815 57 A HN 0.623 nan 8.150 nan 0.000 0.443 58 E N -0.440 119.792 120.200 0.053 0.000 2.268 58 E HA -0.032 4.319 4.350 0.001 0.000 0.195 58 E C 1.086 177.710 176.600 0.040 0.000 0.995 58 E CA 0.555 56.981 56.400 0.044 0.000 0.836 58 E CB -0.147 29.581 29.700 0.045 0.000 0.763 58 E HN 0.586 nan 8.360 nan 0.000 0.491 59 L N 0.346 121.595 121.223 0.044 0.000 2.629 59 L HA 0.062 4.403 4.340 0.001 0.000 0.230 59 L C 0.009 176.902 176.870 0.037 0.000 1.151 59 L CA -0.041 54.823 54.840 0.039 0.000 0.924 59 L CB 0.103 42.188 42.059 0.043 0.000 1.137 59 L HN 0.071 nan 8.230 nan 0.000 0.457 60 D N 0.086 120.508 120.400 0.037 0.000 3.059 60 D HA -0.219 4.421 4.640 0.001 0.000 0.220 60 D C 0.089 176.410 176.300 0.035 0.000 1.169 60 D CA 0.716 54.735 54.000 0.032 0.000 0.902 60 D CB -0.669 40.147 40.800 0.026 0.000 1.116 60 D HN 0.261 nan 8.370 nan 0.000 0.417 61 I N 0.486 121.083 120.570 0.045 0.000 2.365 61 I HA 0.143 4.313 4.170 0.001 0.000 0.291 61 I C 0.924 177.073 176.117 0.053 0.000 1.004 61 I CA -0.449 60.882 61.300 0.051 0.000 1.311 61 I CB 1.563 39.600 38.000 0.061 0.000 1.401 61 I HN -0.015 nan 8.210 nan 0.000 0.491 62 S N 4.174 119.901 115.700 0.046 0.000 2.576 62 S HA 0.290 4.761 4.470 0.001 0.000 0.276 62 S C 0.050 174.683 174.600 0.055 0.000 1.339 62 S CA -0.529 57.694 58.200 0.037 0.000 1.039 62 S CB 0.373 63.592 63.200 0.032 0.000 0.902 62 S HN 0.726 nan 8.310 nan 0.000 0.516 63 T N 0.872 115.441 114.554 0.025 0.000 2.932 63 T HA 0.768 5.118 4.350 0.001 0.000 0.289 63 T C -0.788 173.911 174.700 -0.002 0.000 1.039 63 T CA -0.789 61.333 62.100 0.037 0.000 1.024 63 T CB 1.380 70.228 68.868 -0.033 0.000 1.090 63 T HN 0.409 nan 8.240 nan 0.000 0.496 64 V N 0.752 120.720 119.914 0.090 0.000 2.686 64 V HA 0.794 4.914 4.120 0.001 0.000 0.306 64 V C -0.001 176.223 176.094 0.216 0.000 1.065 64 V CA -1.001 61.377 62.300 0.129 0.000 0.894 64 V CB 1.424 33.383 31.823 0.226 0.000 1.004 64 V HN 1.394 nan 8.190 nan 0.000 0.424 65 A N 5.130 128.038 122.820 0.147 0.000 2.322 65 A HA 1.028 5.349 4.320 0.001 0.000 0.327 65 A C -0.648 177.117 177.584 0.303 0.000 1.134 65 A CA -0.695 51.521 52.037 0.299 0.000 0.831 65 A CB 1.421 20.520 19.000 0.165 0.000 1.288 65 A HN 1.127 nan 8.150 nan 0.000 0.472 66 I N -1.514 119.273 120.570 0.362 0.000 2.689 66 I HA 0.897 5.067 4.170 0.001 0.000 0.299 66 I C -0.897 175.455 176.117 0.392 0.000 1.059 66 I CA -1.016 60.441 61.300 0.262 0.000 1.055 66 I CB 2.058 40.150 38.000 0.153 0.000 1.243 66 I HN 0.824 nan 8.210 nan 0.000 0.425 67 Y N 2.029 122.351 120.300 0.038 0.000 2.655 67 Y HA 0.845 5.396 4.550 0.001 0.000 0.336 67 Y C -0.491 175.323 175.900 -0.142 0.000 1.154 67 Y CA -0.764 57.356 58.100 0.033 0.000 1.055 67 Y CB 0.753 39.200 38.460 -0.022 0.000 1.295 67 Y HN 0.800 nan 8.280 nan 0.000 0.465 68 S N -0.289 115.475 115.700 0.107 0.000 2.776 68 S HA 0.410 4.880 4.470 0.001 0.000 0.306 68 S C -0.082 174.634 174.600 0.193 0.000 1.114 68 S CA -0.468 57.751 58.200 0.032 0.000 0.973 68 S CB 1.108 64.365 63.200 0.096 0.000 1.250 68 S HN 0.713 nan 8.310 nan 0.000 0.549 69 N N 0.963 119.745 118.700 0.137 0.000 2.188 69 N HA -0.002 4.739 4.740 0.001 0.000 0.184 69 N C 1.397 177.011 175.510 0.174 0.000 1.018 69 N CA 1.371 54.508 53.050 0.144 0.000 0.858 69 N CB -0.354 38.187 38.487 0.091 0.000 0.989 69 N HN 0.716 nan 8.380 nan 0.000 0.426 70 E N -0.432 119.901 120.200 0.221 0.000 2.371 70 E HA -0.016 4.334 4.350 0.001 0.000 0.194 70 E C 0.013 176.725 176.600 0.188 0.000 1.012 70 E CA 0.453 56.994 56.400 0.234 0.000 0.860 70 E CB 0.208 30.125 29.700 0.361 0.000 0.811 70 E HN 0.276 nan 8.360 nan 0.000 0.502 71 D N 0.275 120.794 120.400 0.198 0.000 2.388 71 D HA 0.061 4.701 4.640 0.001 0.000 0.221 71 D C 0.973 177.287 176.300 0.023 0.000 1.133 71 D CA 0.101 54.190 54.000 0.147 0.000 0.831 71 D CB 0.359 41.321 40.800 0.270 0.000 0.962 71 D HN 0.018 nan 8.370 nan 0.000 0.502 72 K N 0.045 120.460 120.400 0.025 0.000 2.211 72 K HA -0.031 4.290 4.320 0.001 0.000 0.203 72 K C 1.067 177.513 176.600 -0.256 0.000 1.050 72 K CA 0.755 56.930 56.287 -0.188 0.000 0.945 72 K CB 0.206 32.711 32.500 0.008 0.000 0.732 72 K HN 0.031 nan 8.250 nan 0.000 0.451 73 S N -0.165 115.492 115.700 -0.071 0.000 2.581 73 S HA 0.162 4.633 4.470 0.001 0.000 0.245 73 S C -0.088 174.555 174.600 0.072 0.000 1.115 73 S CA -0.763 57.464 58.200 0.046 0.000 1.093 73 S CB 0.720 64.016 63.200 0.159 0.000 0.853 73 S HN -0.033 nan 8.310 nan 0.000 0.479 74 S N 0.799 116.425 115.700 -0.124 0.000 2.541 74 S HA 0.547 5.018 4.470 0.001 0.000 0.283 74 S C 1.020 175.425 174.600 -0.326 0.000 1.196 74 S CA -0.829 57.326 58.200 -0.075 0.000 1.062 74 S CB 0.611 63.859 63.200 0.080 0.000 1.009 74 S HN 0.517 nan 8.310 nan 0.000 0.502 75 L N 3.827 124.840 121.223 -0.351 0.000 2.191 75 L HA -0.088 4.252 4.340 0.001 0.000 0.212 75 L C 2.486 179.264 176.870 -0.153 0.000 1.103 75 L CA 1.176 55.828 54.840 -0.315 0.000 0.769 75 L CB -0.594 41.194 42.059 -0.451 0.000 0.908 75 L HN 0.841 nan 8.230 nan 0.000 0.438 76 H N -0.014 118.973 119.070 -0.137 0.000 2.491 76 H HA -0.170 4.387 4.556 0.001 0.000 0.290 76 H C 2.102 177.427 175.328 -0.005 0.000 1.050 76 H CA 1.010 57.072 56.048 0.023 0.000 1.309 76 H CB -0.260 29.524 29.762 0.036 0.000 1.392 76 H HN 0.328 nan 8.280 nan 0.000 0.554 77 R N 0.578 120.564 120.500 -0.857 0.000 2.092 77 R HA -0.124 4.217 4.340 0.001 0.000 0.231 77 R C 1.226 177.163 176.300 -0.606 0.000 1.119 77 R CA 1.318 56.895 56.100 -0.872 0.000 0.970 77 R CB -0.228 29.340 30.300 -1.220 0.000 0.864 77 R HN 0.406 nan 8.270 nan 0.000 0.440 78 Y N -0.498 119.626 120.300 -0.294 0.000 2.511 78 Y HA 0.133 4.684 4.550 0.001 0.000 0.279 78 Y C 1.955 177.731 175.900 -0.207 0.000 1.157 78 Y CA -0.012 57.946 58.100 -0.237 0.000 1.300 78 Y CB 0.442 38.777 38.460 -0.209 0.000 1.052 78 Y HN -0.152 nan 8.280 nan 0.000 0.529 79 K N 0.353 120.695 120.400 -0.096 0.000 2.379 79 K HA 0.278 4.598 4.320 0.001 0.000 0.194 79 K C 0.685 177.068 176.600 -0.361 0.000 1.031 79 K CA 0.209 56.437 56.287 -0.098 0.000 1.037 79 K CB 0.276 32.828 32.500 0.085 0.000 0.824 79 K HN 0.154 nan 8.250 nan 0.000 0.516 80 A N 1.168 123.606 122.820 -0.637 0.000 2.256 80 A HA 0.225 4.545 4.320 0.001 0.000 0.318 80 A C 0.554 177.907 177.584 -0.386 0.000 1.103 80 A CA -0.503 51.027 52.037 -0.845 0.000 0.860 80 A CB 0.604 18.918 19.000 -1.144 0.000 1.182 80 A HN -0.011 nan 8.150 nan 0.000 0.501 81 D N 0.147 120.376 120.400 -0.285 0.000 2.084 81 D HA -0.046 4.594 4.640 0.001 0.000 0.196 81 D C 0.296 176.506 176.300 -0.151 0.000 0.985 81 D CA 1.425 55.331 54.000 -0.157 0.000 0.826 81 D CB 0.146 40.891 40.800 -0.091 0.000 0.978 81 D HN 0.707 nan 8.370 nan 0.000 0.456 82 E N -0.415 119.693 120.200 -0.153 0.000 2.232 82 E HA 0.488 4.838 4.350 0.001 0.000 0.264 82 E C -0.766 175.666 176.600 -0.279 0.000 0.973 82 E CA -0.580 55.695 56.400 -0.208 0.000 0.849 82 E CB 2.255 31.909 29.700 -0.077 0.000 1.198 82 E HN -0.148 nan 8.360 nan 0.000 0.407 83 S N 1.488 116.885 115.700 -0.505 0.000 2.649 83 S HA 0.479 4.949 4.470 0.001 0.000 0.274 83 S C -2.049 172.304 174.600 -0.411 0.000 1.176 83 S CA -0.536 57.490 58.200 -0.291 0.000 0.988 83 S CB 0.278 63.367 63.200 -0.187 0.000 1.071 83 S HN 0.465 nan 8.310 nan 0.000 0.478 84 Y N 2.909 123.287 120.300 0.130 0.000 2.421 84 Y HA 0.537 5.088 4.550 0.001 0.000 0.339 84 Y C -0.311 175.292 175.900 -0.495 0.000 0.996 84 Y CA -1.033 57.028 58.100 -0.064 0.000 1.046 84 Y CB 1.565 39.990 38.460 -0.058 0.000 1.226 84 Y HN 0.634 nan 8.280 nan 0.000 0.445 85 L N 4.672 125.536 121.223 -0.598 0.000 2.367 85 L HA 0.385 4.725 4.340 0.001 0.000 0.275 85 L C 0.035 176.682 176.870 -0.372 0.000 1.129 85 L CA -0.435 53.876 54.840 -0.883 0.000 0.839 85 L CB 0.868 42.561 42.059 -0.610 0.000 1.133 85 L HN 0.524 nan 8.230 nan 0.000 0.453 86 V N 3.620 123.321 119.914 -0.355 0.000 2.071 86 V HA 0.666 4.786 4.120 0.001 0.000 0.254 86 V C 0.772 176.768 176.094 -0.164 0.000 1.456 86 V CA -0.068 62.103 62.300 -0.215 0.000 1.383 86 V CB -1.507 30.184 31.823 -0.220 0.000 1.433 86 V HN 1.207 nan 8.190 nan 0.000 0.499 87 G N 2.225 110.948 108.800 -0.129 0.000 2.764 87 G HA2 -0.173 3.788 3.960 0.001 0.000 0.686 87 G HA3 -0.173 3.788 3.960 0.001 0.000 0.686 87 G C 0.317 175.168 174.900 -0.081 0.000 1.258 87 G CA -0.059 44.989 45.100 -0.087 0.000 0.846 87 G HN 1.100 nan 8.290 nan 0.000 0.596 88 S N 0.117 115.787 115.700 -0.051 0.000 2.603 88 S HA 0.007 4.478 4.470 0.001 0.000 0.229 88 S C 1.622 176.204 174.600 -0.030 0.000 0.972 88 S CA 1.685 59.865 58.200 -0.034 0.000 0.935 88 S CB -0.145 63.045 63.200 -0.017 0.000 0.769 88 S HN 0.581 nan 8.310 nan 0.000 0.536 89 D N 0.696 121.073 120.400 -0.038 0.000 2.269 89 D HA 0.124 4.765 4.640 0.001 0.000 0.220 89 D C -0.042 176.235 176.300 -0.039 0.000 0.962 89 D CA 0.422 54.403 54.000 -0.033 0.000 0.884 89 D CB -0.138 40.644 40.800 -0.030 0.000 1.023 89 D HN 0.303 nan 8.370 nan 0.000 0.484 90 L N 1.395 122.587 121.223 -0.053 0.000 2.268 90 L HA 0.362 4.703 4.340 0.001 0.000 0.289 90 L C 1.521 178.357 176.870 -0.056 0.000 1.064 90 L CA -0.252 54.553 54.840 -0.058 0.000 0.824 90 L CB 1.489 43.508 42.059 -0.068 0.000 1.202 90 L HN -0.070 nan 8.230 nan 0.000 0.433 91 G N 4.658 113.428 108.800 -0.051 0.000 2.607 91 G HA2 0.040 4.000 3.960 0.001 0.000 0.215 91 G HA3 0.040 4.000 3.960 0.001 0.000 0.215 91 G C -1.458 173.430 174.900 -0.021 0.000 1.275 91 G CA 0.504 45.582 45.100 -0.038 0.000 0.842 91 G HN 0.493 nan 8.290 nan 0.000 0.555 92 P HA 0.196 nan 4.420 nan 0.000 0.331 92 P C 1.241 178.501 177.300 -0.067 0.000 1.426 92 P CA 1.038 64.030 63.100 -0.179 0.000 0.880 92 P CB 0.138 31.529 31.700 -0.514 0.000 2.175 93 A N -0.631 122.060 122.820 -0.214 0.000 2.168 93 A HA -0.124 4.197 4.320 0.001 0.000 0.215 93 A C 1.938 179.625 177.584 0.172 0.000 1.152 93 A CA 1.166 53.182 52.037 -0.035 0.000 0.716 93 A CB -1.433 17.476 19.000 -0.152 0.000 0.794 93 A HN 0.631 nan 8.150 nan 0.000 0.465 94 E N -0.808 119.422 120.200 0.051 0.000 2.333 94 E HA -0.108 4.243 4.350 0.001 0.000 0.198 94 E C 1.667 178.293 176.600 0.044 0.000 1.007 94 E CA 1.157 57.589 56.400 0.053 0.000 0.845 94 E CB -0.308 29.390 29.700 -0.003 0.000 0.766 94 E HN 0.368 nan 8.360 nan 0.000 0.507 95 S N -0.516 115.194 115.700 0.015 0.000 2.461 95 S HA -0.027 4.443 4.470 0.001 0.000 0.228 95 S C 0.812 175.261 174.600 -0.252 0.000 1.005 95 S CA 0.376 58.493 58.200 -0.138 0.000 0.942 95 S CB -0.169 62.897 63.200 -0.222 0.000 0.776 95 S HN 0.458 nan 8.310 nan 0.000 0.514 96 Y N 0.376 120.677 120.300 0.002 0.000 2.466 96 Y HA 0.377 4.927 4.550 0.001 0.000 0.272 96 Y C 1.373 177.230 175.900 -0.072 0.000 1.169 96 Y CA 0.101 58.120 58.100 -0.135 0.000 1.285 96 Y CB 0.167 38.329 38.460 -0.497 0.000 1.078 96 Y HN 0.188 nan 8.280 nan 0.000 0.523 97 L N -0.981 120.317 121.223 0.124 0.000 2.556 97 L HA 0.093 4.433 4.340 0.001 0.000 0.226 97 L C 0.511 177.377 176.870 -0.007 0.000 1.089 97 L CA 0.085 54.970 54.840 0.075 0.000 0.864 97 L CB 0.010 42.146 42.059 0.128 0.000 1.067 97 L HN 0.078 nan 8.230 nan 0.000 0.477 98 N N 1.366 120.058 118.700 -0.013 0.000 2.410 98 N HA 0.025 4.765 4.740 0.001 0.000 0.281 98 N C 1.216 176.739 175.510 0.021 0.000 1.241 98 N CA -0.274 52.775 53.050 -0.003 0.000 0.998 98 N CB 0.427 38.903 38.487 -0.018 0.000 1.376 98 N HN 0.180 nan 8.380 nan 0.000 0.490 99 I N 2.261 122.868 120.570 0.063 0.000 2.087 99 I HA -0.332 3.838 4.170 0.001 0.000 0.240 99 I C 2.032 178.276 176.117 0.211 0.000 1.054 99 I CA 1.205 62.629 61.300 0.207 0.000 1.311 99 I CB -0.117 38.020 38.000 0.228 0.000 1.024 99 I HN 0.554 nan 8.210 nan 0.000 0.402 100 E N 0.309 120.578 120.200 0.115 0.000 2.107 100 E HA -0.194 4.156 4.350 0.001 0.000 0.191 100 E C 2.245 178.879 176.600 0.057 0.000 0.982 100 E CA 0.898 57.345 56.400 0.079 0.000 0.809 100 E CB -0.294 29.433 29.700 0.046 0.000 0.756 100 E HN 0.303 nan 8.360 nan 0.000 0.459 101 R N 0.798 121.321 120.500 0.038 0.000 2.115 101 R HA 0.001 4.342 4.340 0.001 0.000 0.226 101 R C 2.136 178.442 176.300 0.011 0.000 1.100 101 R CA 0.554 56.657 56.100 0.004 0.000 0.980 101 R CB -0.217 30.068 30.300 -0.025 0.000 0.875 101 R HN 0.090 nan 8.270 nan 0.000 0.445 102 I N 0.517 121.125 120.570 0.062 0.000 2.252 102 I HA -0.209 3.962 4.170 0.001 0.000 0.245 102 I C 1.857 178.045 176.117 0.119 0.000 1.102 102 I CA 1.010 62.374 61.300 0.106 0.000 1.385 102 I CB -0.878 37.246 38.000 0.206 0.000 1.064 102 I HN 0.089 nan 8.210 nan 0.000 0.414 103 I N 1.243 121.895 120.570 0.136 0.000 2.361 103 I HA -0.242 3.929 4.170 0.001 0.000 0.251 103 I C 2.130 178.255 176.117 0.013 0.000 1.133 103 I CA 1.332 62.677 61.300 0.074 0.000 1.413 103 I CB -1.352 36.684 38.000 0.061 0.000 1.073 103 I HN 0.183 nan 8.210 nan 0.000 0.424 104 D N 1.107 121.506 120.400 -0.003 0.000 2.092 104 D HA -0.143 4.498 4.640 0.001 0.000 0.193 104 D C 2.437 178.681 176.300 -0.093 0.000 0.994 104 D CA 1.119 55.093 54.000 -0.043 0.000 0.828 104 D CB -0.321 40.452 40.800 -0.045 0.000 0.963 104 D HN 0.114 nan 8.370 nan 0.000 0.450 105 V N 1.018 120.864 119.914 -0.114 0.000 2.343 105 V HA -0.231 3.890 4.120 0.001 0.000 0.247 105 V C 2.432 178.407 176.094 -0.198 0.000 1.051 105 V CA 1.770 63.930 62.300 -0.234 0.000 1.036 105 V CB -0.864 30.849 31.823 -0.182 0.000 0.654 105 V HN 0.213 nan 8.190 nan 0.000 0.451 106 A N -0.156 122.625 122.820 -0.066 0.000 1.877 106 A HA -0.262 4.058 4.320 0.001 0.000 0.216 106 A C 2.299 179.859 177.584 -0.040 0.000 1.186 106 A CA 2.175 54.200 52.037 -0.020 0.000 0.620 106 A CB -0.457 18.562 19.000 0.032 0.000 0.822 106 A HN 0.530 nan 8.150 nan 0.000 0.443 107 K N -0.968 119.404 120.400 -0.046 0.000 2.026 107 K HA -0.194 4.127 4.320 0.001 0.000 0.208 107 K C 2.343 178.906 176.600 -0.062 0.000 1.048 107 K CA 1.664 57.925 56.287 -0.043 0.000 0.929 107 K CB -0.136 32.343 32.500 -0.036 0.000 0.713 107 K HN 0.516 nan 8.250 nan 0.000 0.439 108 Q N 0.365 120.100 119.800 -0.108 0.000 2.291 108 Q HA -0.047 4.294 4.340 0.001 0.000 0.205 108 Q C 1.007 176.934 176.000 -0.122 0.000 0.970 108 Q CA 1.498 57.225 55.803 -0.128 0.000 0.876 108 Q CB 0.149 28.772 28.738 -0.193 0.000 0.935 108 Q HN 0.279 nan 8.270 nan 0.000 0.455 109 A N -0.501 122.245 122.820 -0.124 0.000 2.503 109 A HA 0.265 4.585 4.320 0.001 0.000 0.263 109 A C -0.173 177.417 177.584 0.011 0.000 1.258 109 A CA 0.057 52.068 52.037 -0.044 0.000 0.936 109 A CB 0.057 19.035 19.000 -0.037 0.000 1.070 109 A HN 0.421 nan 8.150 nan 0.000 0.522 110 N N -0.757 117.941 118.700 -0.003 0.000 2.754 110 N HA -0.126 4.615 4.740 0.001 0.000 0.248 110 N C -0.218 175.306 175.510 0.023 0.000 1.093 110 N CA 0.975 54.032 53.050 0.012 0.000 0.699 110 N CB -2.089 36.410 38.487 0.019 0.000 1.016 110 N HN 0.270 nan 8.380 nan 0.000 0.552 111 V N 0.834 120.762 119.914 0.023 0.000 2.637 111 V HA 0.031 4.151 4.120 0.001 0.000 0.296 111 V C 1.427 177.541 176.094 0.034 0.000 1.046 111 V CA 0.188 62.513 62.300 0.040 0.000 1.066 111 V CB 1.219 33.073 31.823 0.051 0.000 0.968 111 V HN 0.189 nan 8.190 nan 0.000 0.483 112 D N 2.737 123.161 120.400 0.040 0.000 2.324 112 D HA 0.282 4.922 4.640 0.001 0.000 0.212 112 D C 0.527 176.848 176.300 0.034 0.000 0.984 112 D CA 0.904 54.924 54.000 0.033 0.000 0.885 112 D CB 0.912 41.732 40.800 0.034 0.000 0.996 112 D HN 0.631 nan 8.370 nan 0.000 0.505 113 A N 0.360 123.207 122.820 0.044 0.000 2.572 113 A HA 0.668 4.988 4.320 0.001 0.000 0.295 113 A C -1.331 176.285 177.584 0.054 0.000 1.072 113 A CA -0.554 51.505 52.037 0.037 0.000 0.691 113 A CB 1.592 20.608 19.000 0.028 0.000 1.291 113 A HN 0.010 nan 8.150 nan 0.000 0.404 114 I N 2.327 122.916 120.570 0.031 0.000 2.418 114 I HA 0.273 4.444 4.170 0.001 0.000 0.287 114 I C -0.680 175.424 176.117 -0.023 0.000 1.008 114 I CA -0.497 60.846 61.300 0.072 0.000 1.104 114 I CB 1.641 39.724 38.000 0.138 0.000 1.264 114 I HN 0.722 nan 8.210 nan 0.000 0.438 115 H N 8.906 127.949 119.070 -0.045 0.000 2.594 115 H HA 0.307 4.864 4.556 0.001 0.000 0.304 115 H C -1.988 173.302 175.328 -0.062 0.000 1.068 115 H CA -2.229 53.746 56.048 -0.121 0.000 1.308 115 H CB 1.837 31.538 29.762 -0.102 0.000 1.409 115 H HN 0.339 nan 8.280 nan 0.000 0.460 116 P HA 0.053 nan 4.420 nan 0.000 0.231 116 P C 0.879 178.296 177.300 0.195 0.000 1.168 116 P CA 1.260 64.495 63.100 0.225 0.000 0.779 116 P CB 0.911 32.780 31.700 0.282 0.000 0.844 117 G N 0.771 109.749 108.800 0.296 0.000 2.536 117 G HA2 -0.229 3.731 3.960 0.001 0.000 0.280 117 G HA3 -0.229 3.731 3.960 0.001 0.000 0.280 117 G C -0.681 174.312 174.900 0.154 0.000 1.152 117 G CA 0.369 45.503 45.100 0.057 0.000 0.970 117 G HN 0.494 nan 8.290 nan 0.000 0.549 118 Y N -2.261 118.132 120.300 0.156 0.000 2.562 118 Y HA 0.593 5.143 4.550 0.001 0.000 0.345 118 Y C 0.868 176.870 175.900 0.170 0.000 1.045 118 Y CA -0.859 57.331 58.100 0.151 0.000 1.028 118 Y CB 1.380 39.902 38.460 0.102 0.000 1.297 118 Y HN 2.471 nan 8.280 nan 0.000 0.463 119 G N 0.338 109.338 108.800 0.332 0.000 2.198 119 G HA2 -0.293 3.667 3.960 0.001 0.000 0.260 119 G HA3 -0.293 3.667 3.960 0.001 0.000 0.260 119 G C -0.674 174.095 174.900 -0.218 0.000 1.025 119 G CA 1.105 46.262 45.100 0.094 0.000 0.769 119 G HN 0.709 nan 8.290 nan 0.000 0.507 120 F N -1.853 118.159 119.950 0.102 0.000 1.964 120 F HA 0.457 4.984 4.527 0.001 0.000 0.217 120 F C 1.798 177.626 175.800 0.047 0.000 1.267 120 F CA -0.030 58.005 58.000 0.059 0.000 1.271 120 F CB -0.102 38.907 39.000 0.014 0.000 1.937 120 F HN -0.064 nan 8.300 nan 0.000 0.147 121 L N 0.835 122.199 121.223 0.234 0.000 2.700 121 L HA 0.160 4.500 4.340 0.001 0.000 0.234 121 L C 1.750 178.807 176.870 0.313 0.000 1.156 121 L CA 0.340 55.236 54.840 0.093 0.000 0.946 121 L CB -0.244 41.550 42.059 -0.443 0.000 1.216 121 L HN 0.358 nan 8.230 nan 0.000 0.493 122 S N -0.923 114.977 115.700 0.333 0.000 2.447 122 S HA -0.118 4.352 4.470 0.001 0.000 0.233 122 S C 1.362 176.202 174.600 0.400 0.000 1.006 122 S CA 0.816 59.256 58.200 0.399 0.000 0.957 122 S CB -0.058 63.330 63.200 0.314 0.000 0.773 122 S HN 0.541 nan 8.310 nan 0.000 0.507 123 E N 0.931 121.308 120.200 0.295 0.000 2.538 123 E HA 0.208 4.559 4.350 0.001 0.000 0.207 123 E C -0.228 176.490 176.600 0.197 0.000 1.002 123 E CA -0.361 56.185 56.400 0.244 0.000 0.952 123 E CB 0.189 29.999 29.700 0.184 0.000 1.031 123 E HN 0.441 nan 8.360 nan 0.000 0.476 124 N N 1.905 120.730 118.700 0.209 0.000 2.470 124 N HA -0.054 4.686 4.740 0.001 0.000 0.268 124 N C 0.819 176.377 175.510 0.080 0.000 1.136 124 N CA 0.256 53.398 53.050 0.153 0.000 0.961 124 N CB 1.437 40.033 38.487 0.182 0.000 1.067 124 N HN 0.046 nan 8.380 nan 0.000 0.468 125 E N 3.319 123.548 120.200 0.050 0.000 2.017 125 E HA -0.244 4.106 4.350 0.001 0.000 0.193 125 E C 1.610 178.190 176.600 -0.034 0.000 0.997 125 E CA 1.697 58.093 56.400 -0.006 0.000 0.804 125 E CB -0.125 29.581 29.700 0.009 0.000 0.757 125 E HN 0.737 nan 8.360 nan 0.000 0.448 126 Q N -1.021 118.792 119.800 0.021 0.000 2.050 126 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 126 Q C 2.103 178.126 176.000 0.038 0.000 0.980 126 Q CA 1.614 57.432 55.803 0.025 0.000 0.840 126 Q CB -0.366 28.406 28.738 0.056 0.000 0.898 126 Q HN 0.426 nan 8.270 nan 0.000 0.424 127 F N 0.915 120.827 119.950 -0.063 0.000 2.120 127 F HA -0.237 4.291 4.527 0.001 0.000 0.300 127 F C 2.007 177.723 175.800 -0.140 0.000 1.095 127 F CA 1.720 59.694 58.000 -0.044 0.000 1.249 127 F CB -0.644 38.377 39.000 0.034 0.000 0.995 127 F HN 0.152 nan 8.300 nan 0.000 0.480 128 A N 0.248 122.775 122.820 -0.488 0.000 1.969 128 A HA -0.147 4.173 4.320 0.001 0.000 0.218 128 A C 2.394 179.728 177.584 -0.416 0.000 1.169 128 A CA 1.451 52.969 52.037 -0.865 0.000 0.635 128 A CB -0.795 17.382 19.000 -1.370 0.000 0.810 128 A HN 0.489 nan 8.150 nan 0.000 0.445 129 R N -0.739 119.606 120.500 -0.257 0.000 2.070 129 R HA -0.116 4.224 4.340 0.001 0.000 0.233 129 R C 2.235 178.457 176.300 -0.130 0.000 1.137 129 R CA 1.273 57.282 56.100 -0.152 0.000 0.945 129 R CB -0.266 29.975 30.300 -0.098 0.000 0.845 129 R HN 0.279 nan 8.270 nan 0.000 0.430 130 R N 0.380 120.807 120.500 -0.121 0.000 2.127 130 R HA -0.137 4.203 4.340 0.001 0.000 0.238 130 R C 2.325 178.550 176.300 -0.124 0.000 1.134 130 R CA 1.297 57.342 56.100 -0.092 0.000 0.975 130 R CB -1.141 29.133 30.300 -0.043 0.000 0.865 130 R HN 0.411 nan 8.270 nan 0.000 0.447 131 C N 0.075 119.245 119.300 -0.216 0.000 2.413 131 C HA -0.094 4.366 4.460 0.001 0.000 0.276 131 C C 2.914 177.851 174.990 -0.088 0.000 1.236 131 C CA 0.903 59.812 59.018 -0.182 0.000 1.735 131 C CB -1.064 26.536 27.740 -0.233 0.000 2.031 131 C HN 0.568 nan 8.230 nan 0.000 0.474 132 A N 0.217 122.987 122.820 -0.083 0.000 1.902 132 A HA -0.215 4.105 4.320 0.001 0.000 0.217 132 A C 1.968 179.525 177.584 -0.045 0.000 1.181 132 A CA 1.784 53.792 52.037 -0.049 0.000 0.623 132 A CB -0.648 18.319 19.000 -0.055 0.000 0.818 132 A HN 0.714 nan 8.150 nan 0.000 0.443 133 E N -0.323 119.845 120.200 -0.054 0.000 2.160 133 E HA -0.170 4.180 4.350 0.001 0.000 0.195 133 E C 1.339 177.919 176.600 -0.033 0.000 0.991 133 E CA 1.190 57.565 56.400 -0.041 0.000 0.810 133 E CB -0.029 29.647 29.700 -0.041 0.000 0.742 133 E HN 0.535 nan 8.360 nan 0.000 0.466 134 E N -0.851 119.328 120.200 -0.035 0.000 2.479 134 E HA 0.044 4.395 4.350 0.001 0.000 0.193 134 E C 1.032 177.620 176.600 -0.019 0.000 1.049 134 E CA 0.574 56.959 56.400 -0.026 0.000 0.870 134 E CB 0.966 30.650 29.700 -0.027 0.000 0.944 134 E HN 0.372 nan 8.360 nan 0.000 0.492 135 G N 1.625 110.413 108.800 -0.019 0.000 2.143 135 G HA2 -0.226 3.735 3.960 0.001 0.000 0.249 135 G HA3 -0.226 3.735 3.960 0.001 0.000 0.249 135 G C 0.271 175.169 174.900 -0.003 0.000 0.981 135 G CA -0.013 45.081 45.100 -0.010 0.000 0.665 135 G HN 0.184 nan 8.290 nan 0.000 0.528 136 I N 0.421 120.987 120.570 -0.007 0.000 2.342 136 I HA 0.378 4.548 4.170 0.001 0.000 0.291 136 I C 0.612 176.740 176.117 0.018 0.000 1.010 136 I CA -1.192 60.110 61.300 0.003 0.000 1.308 136 I CB 1.335 39.329 38.000 -0.010 0.000 1.400 136 I HN 0.060 nan 8.210 nan 0.000 0.488 137 K N 6.509 126.927 120.400 0.031 0.000 2.310 137 K HA 0.157 4.478 4.320 0.001 0.000 0.290 137 K C -0.683 175.956 176.600 0.064 0.000 1.077 137 K CA -0.136 56.181 56.287 0.050 0.000 0.922 137 K CB -0.034 32.487 32.500 0.036 0.000 1.057 137 K HN 0.370 nan 8.250 nan 0.000 0.479 138 F N 6.250 126.165 119.950 -0.059 0.000 2.533 138 F HA 0.201 4.729 4.527 0.001 0.000 0.378 138 F C 0.005 175.772 175.800 -0.054 0.000 1.070 138 F CA -0.260 57.699 58.000 -0.069 0.000 1.172 138 F CB 0.213 39.163 39.000 -0.083 0.000 1.085 138 F HN 0.467 nan 8.300 nan 0.000 0.552 139 I N 7.579 127.814 120.570 -0.559 0.000 2.357 139 I HA 0.343 4.514 4.170 0.001 0.000 0.300 139 I C 0.717 176.429 176.117 -0.674 0.000 1.159 139 I CA 0.500 61.497 61.300 -0.504 0.000 1.339 139 I CB -0.843 36.871 38.000 -0.477 0.000 1.458 139 I HN 0.832 nan 8.210 nan 0.000 0.577 140 G N 7.603 116.213 108.800 -0.316 0.000 2.360 140 G HA2 0.214 4.174 3.960 0.001 0.000 0.276 140 G HA3 0.214 4.174 3.960 0.001 0.000 0.276 140 G C -3.238 171.655 174.900 -0.012 0.000 1.256 140 G CA -0.611 44.407 45.100 -0.136 0.000 0.890 140 G HN 0.235 nan 8.290 nan 0.000 0.486 141 P HA 0.323 nan 4.420 nan 0.000 0.276 141 P C -0.519 176.871 177.300 0.150 0.000 1.261 141 P CA -0.288 62.688 63.100 -0.206 0.000 0.800 141 P CB 0.410 31.880 31.700 -0.383 0.000 1.066 142 H N -0.077 119.143 119.070 0.251 0.000 2.895 142 H HA 0.039 4.595 4.556 0.001 0.000 0.371 142 H C 1.797 177.180 175.328 0.092 0.000 1.219 142 H CA -0.019 56.134 56.048 0.175 0.000 1.431 142 H CB -0.053 29.775 29.762 0.111 0.000 1.414 142 H HN 0.320 nan 8.280 nan 0.000 0.617 143 L N 0.467 121.757 121.223 0.112 0.000 2.021 143 L HA -0.224 4.116 4.340 0.001 0.000 0.215 143 L C 2.345 179.202 176.870 -0.021 0.000 1.074 143 L CA 1.976 56.812 54.840 -0.007 0.000 0.760 143 L CB -0.440 41.580 42.059 -0.065 0.000 0.889 143 L HN 0.696 nan 8.230 nan 0.000 0.433 144 E N -0.612 119.536 120.200 -0.087 0.000 2.478 144 E HA -0.207 4.143 4.350 0.001 0.000 0.198 144 E C 1.607 178.082 176.600 -0.209 0.000 1.046 144 E CA 1.029 57.329 56.400 -0.167 0.000 0.870 144 E CB -0.335 29.238 29.700 -0.213 0.000 0.818 144 E HN 0.621 nan 8.360 nan 0.000 0.527 145 H N 0.835 119.929 119.070 0.041 0.000 2.384 145 H HA 0.143 4.699 4.556 0.001 0.000 0.300 145 H C 2.351 177.756 175.328 0.128 0.000 1.057 145 H CA 0.887 56.990 56.048 0.091 0.000 1.370 145 H CB 0.061 29.960 29.762 0.229 0.000 1.417 145 H HN 0.162 nan 8.280 nan 0.000 0.527 146 L N 0.645 122.014 121.223 0.244 0.000 2.141 146 L HA -0.152 4.189 4.340 0.001 0.000 0.209 146 L C 2.237 179.166 176.870 0.098 0.000 1.094 146 L CA 1.403 56.358 54.840 0.191 0.000 0.763 146 L CB -0.229 41.900 42.059 0.117 0.000 0.908 146 L HN 0.200 nan 8.230 nan 0.000 0.437 147 D N -0.195 120.220 120.400 0.024 0.000 2.149 147 D HA -0.225 4.416 4.640 0.001 0.000 0.201 147 D C 2.301 178.561 176.300 -0.067 0.000 0.972 147 D CA 1.042 55.028 54.000 -0.024 0.000 0.835 147 D CB 0.118 40.885 40.800 -0.055 0.000 0.966 147 D HN 0.163 nan 8.370 nan 0.000 0.476 148 M N -1.233 118.276 119.600 -0.151 0.000 2.156 148 M HA 0.015 4.496 4.480 0.001 0.000 0.264 148 M C 0.786 176.863 176.300 -0.373 0.000 1.067 148 M CA 1.338 56.417 55.300 -0.369 0.000 1.131 148 M CB 0.060 32.266 32.600 -0.657 0.000 1.368 148 M HN 0.067 nan 8.290 nan 0.000 0.416 149 F N -1.870 118.152 119.950 0.119 0.000 2.704 149 F HA 0.302 4.829 4.527 0.001 0.000 0.304 149 F C 1.956 177.808 175.800 0.088 0.000 1.094 149 F CA -0.121 57.948 58.000 0.115 0.000 1.275 149 F CB -0.110 38.977 39.000 0.145 0.000 1.073 149 F HN 0.159 nan 8.300 nan 0.000 0.586 150 G N -0.445 108.477 108.800 0.202 0.000 2.882 150 G HA2 -0.110 3.851 3.960 0.001 0.000 0.206 150 G HA3 -0.110 3.851 3.960 0.001 0.000 0.206 150 G C -0.184 174.766 174.900 0.083 0.000 1.155 150 G CA 0.410 45.590 45.100 0.134 0.000 0.800 150 G HN 0.222 nan 8.290 nan 0.000 0.524 151 D N -0.836 119.617 120.400 0.087 0.000 2.936 151 D HA 0.207 4.847 4.640 0.001 0.000 0.238 151 D C 0.676 177.022 176.300 0.076 0.000 1.248 151 D CA -0.579 53.453 54.000 0.053 0.000 0.903 151 D CB 1.470 42.281 40.800 0.018 0.000 1.544 151 D HN -0.090 nan 8.370 nan 0.000 0.543 152 K N 1.408 121.851 120.400 0.072 0.000 2.211 152 K HA -0.018 4.303 4.320 0.001 0.000 0.203 152 K C 1.799 178.374 176.600 -0.042 0.000 1.050 152 K CA 0.830 57.173 56.287 0.094 0.000 0.945 152 K CB 0.424 33.053 32.500 0.214 0.000 0.732 152 K HN 0.263 nan 8.250 nan 0.000 0.451 153 V N 1.206 121.013 119.914 -0.178 0.000 2.488 153 V HA -0.179 3.942 4.120 0.001 0.000 0.246 153 V C 2.216 178.244 176.094 -0.111 0.000 1.046 153 V CA 1.466 63.601 62.300 -0.276 0.000 1.053 153 V CB -0.326 31.319 31.823 -0.296 0.000 0.679 153 V HN 0.246 nan 8.190 nan 0.000 0.458 154 K N 0.470 120.838 120.400 -0.053 0.000 2.103 154 K HA -0.067 4.254 4.320 0.001 0.000 0.204 154 K C 2.249 178.849 176.600 0.000 0.000 1.052 154 K CA 1.247 57.510 56.287 -0.040 0.000 0.945 154 K CB -0.318 32.154 32.500 -0.047 0.000 0.722 154 K HN 0.412 nan 8.250 nan 0.000 0.443 155 A N 1.357 124.247 122.820 0.116 0.000 1.908 155 A HA -0.179 4.141 4.320 0.001 0.000 0.218 155 A C 2.070 179.785 177.584 0.219 0.000 1.181 155 A CA 1.448 53.684 52.037 0.332 0.000 0.627 155 A CB -0.453 18.867 19.000 0.533 0.000 0.818 155 A HN 0.280 nan 8.150 nan 0.000 0.445 156 R N -1.089 119.516 120.500 0.175 0.000 2.075 156 R HA -0.083 4.258 4.340 0.001 0.000 0.232 156 R C 2.291 178.574 176.300 -0.028 0.000 1.126 156 R CA 1.777 57.937 56.100 0.100 0.000 0.963 156 R CB -0.627 29.722 30.300 0.082 0.000 0.858 156 R HN 0.572 nan 8.270 nan 0.000 0.435 157 T N 0.104 114.635 114.554 -0.038 0.000 2.746 157 T HA -0.120 4.231 4.350 0.001 0.000 0.267 157 T C 1.783 176.443 174.700 -0.067 0.000 1.039 157 T CA 1.875 63.941 62.100 -0.056 0.000 1.142 157 T CB -0.293 68.538 68.868 -0.062 0.000 0.866 157 T HN 0.321 nan 8.240 nan 0.000 0.444 158 T N 1.913 116.425 114.554 -0.070 0.000 2.821 158 T HA 0.042 4.393 4.350 0.001 0.000 0.267 158 T C 2.420 177.062 174.700 -0.096 0.000 1.046 158 T CA 0.999 63.054 62.100 -0.075 0.000 1.139 158 T CB -0.472 68.340 68.868 -0.094 0.000 0.871 158 T HN 0.441 nan 8.240 nan 0.000 0.454 159 A N 1.436 124.127 122.820 -0.214 0.000 1.873 159 A HA 0.008 4.328 4.320 0.001 0.000 0.215 159 A C 2.257 179.723 177.584 -0.197 0.000 1.186 159 A CA 1.157 52.949 52.037 -0.408 0.000 0.616 159 A CB -0.742 17.662 19.000 -0.994 0.000 0.823 159 A HN 0.525 nan 8.150 nan 0.000 0.442 160 I N -0.373 120.125 120.570 -0.121 0.000 2.286 160 I HA -0.241 3.930 4.170 0.001 0.000 0.248 160 I C 2.432 178.524 176.117 -0.042 0.000 1.115 160 I CA 1.822 63.089 61.300 -0.054 0.000 1.392 160 I CB -0.225 37.757 38.000 -0.030 0.000 1.065 160 I HN 0.283 nan 8.210 nan 0.000 0.418 161 K N 2.123 122.494 120.400 -0.047 0.000 2.097 161 K HA -0.076 4.244 4.320 0.001 0.000 0.206 161 K C 1.910 178.496 176.600 -0.022 0.000 1.049 161 K CA 1.740 58.007 56.287 -0.032 0.000 0.933 161 K CB -0.334 32.144 32.500 -0.036 0.000 0.717 161 K HN 0.262 nan 8.250 nan 0.000 0.442 162 A N 0.194 122.997 122.820 -0.029 0.000 2.235 162 A HA 0.066 4.386 4.320 0.001 0.000 0.208 162 A C 0.061 177.644 177.584 -0.002 0.000 1.172 162 A CA 0.989 53.021 52.037 -0.008 0.000 0.786 162 A CB -0.516 18.483 19.000 -0.003 0.000 0.804 162 A HN 0.602 nan 8.150 nan 0.000 0.479 163 D N -2.766 117.627 120.400 -0.012 0.000 2.846 163 D HA -0.104 4.536 4.640 0.001 0.000 0.231 163 D C -0.881 175.428 176.300 0.014 0.000 1.102 163 D CA 0.326 54.326 54.000 -0.001 0.000 0.744 163 D CB -1.520 39.283 40.800 0.005 0.000 1.092 163 D HN 0.248 nan 8.370 nan 0.000 0.437 164 L N 0.874 122.103 121.223 0.010 0.000 2.334 164 L HA 0.610 4.951 4.340 0.001 0.000 0.275 164 L C -1.714 175.197 176.870 0.069 0.000 1.036 164 L CA -1.627 53.255 54.840 0.070 0.000 0.807 164 L CB 1.003 43.110 42.059 0.079 0.000 1.231 164 L HN -0.086 nan 8.230 nan 0.000 0.438 165 P HA 0.241 nan 4.420 nan 0.000 0.276 165 P C -1.216 176.233 177.300 0.249 0.000 1.235 165 P CA -0.100 63.026 63.100 0.045 0.000 0.772 165 P CB 1.063 32.611 31.700 -0.254 0.000 0.871 166 V N 3.965 124.050 119.914 0.284 0.000 2.962 166 V HA 0.334 4.454 4.120 0.001 0.000 0.313 166 V C 0.575 176.848 176.094 0.298 0.000 1.099 166 V CA -1.132 61.378 62.300 0.351 0.000 0.971 166 V CB 1.856 33.836 31.823 0.261 0.000 1.028 166 V HN 0.327 nan 8.190 nan 0.000 0.430 167 I N 4.782 125.476 120.570 0.206 0.000 2.668 167 I HA 0.113 4.283 4.170 0.001 0.000 0.285 167 I C -0.961 175.187 176.117 0.051 0.000 1.168 167 I CA -0.561 60.744 61.300 0.008 0.000 1.424 167 I CB 0.136 38.114 38.000 -0.038 0.000 1.377 167 I HN 0.544 nan 8.210 nan 0.000 0.560 168 P HA -0.257 nan 4.420 nan 0.000 0.211 168 P C 0.837 178.174 177.300 0.061 0.000 0.948 168 P CA 1.783 64.909 63.100 0.042 0.000 1.010 168 P CB -0.470 31.246 31.700 0.026 0.000 0.737 169 G N -2.142 106.704 108.800 0.075 0.000 2.692 169 G HA2 -0.181 3.779 3.960 0.001 0.000 0.248 169 G HA3 -0.181 3.779 3.960 0.001 0.000 0.248 169 G C -0.251 174.694 174.900 0.075 0.000 1.340 169 G CA 0.209 45.374 45.100 0.108 0.000 0.896 169 G HN 0.514 nan 8.290 nan 0.000 0.570 170 T N 0.093 114.694 114.554 0.078 0.000 2.902 170 T HA 0.496 4.846 4.350 0.001 0.000 0.280 170 T C 1.145 175.811 174.700 -0.056 0.000 0.992 170 T CA 0.129 62.225 62.100 -0.007 0.000 1.015 170 T CB 1.452 70.329 68.868 0.016 0.000 1.044 170 T HN 0.507 nan 8.240 nan 0.000 0.520 171 D N 0.577 120.913 120.400 -0.106 0.000 2.219 171 D HA 0.066 4.707 4.640 0.001 0.000 0.205 171 D C 1.039 177.276 176.300 -0.105 0.000 0.970 171 D CA 0.969 54.907 54.000 -0.103 0.000 0.851 171 D CB 0.265 40.995 40.800 -0.116 0.000 0.943 171 D HN 0.701 nan 8.370 nan 0.000 0.488 172 G N -0.001 108.744 108.800 -0.093 0.000 2.634 172 G HA2 0.359 4.319 3.960 0.001 0.000 0.309 172 G HA3 0.359 4.319 3.960 0.001 0.000 0.309 172 G C -2.896 172.002 174.900 -0.003 0.000 1.299 172 G CA -0.747 44.306 45.100 -0.079 0.000 0.798 172 G HN -0.226 nan 8.290 nan 0.000 0.490 173 P HA 0.487 nan 4.420 nan 0.000 0.274 173 P C -0.959 176.412 177.300 0.119 0.000 1.231 173 P CA -0.176 63.002 63.100 0.128 0.000 0.790 173 P CB 1.427 33.189 31.700 0.103 0.000 0.951 174 I N 2.142 122.821 120.570 0.182 0.000 2.377 174 I HA 0.232 4.403 4.170 0.001 0.000 0.293 174 I C 1.614 177.883 176.117 0.254 0.000 0.987 174 I CA -0.320 61.095 61.300 0.191 0.000 1.185 174 I CB 1.431 39.568 38.000 0.229 0.000 1.341 174 I HN 0.195 nan 8.210 nan 0.000 0.455 175 K N 1.812 122.312 120.400 0.167 0.000 2.007 175 K HA 0.213 4.534 4.320 0.001 0.000 0.206 175 K C 0.223 176.974 176.600 0.251 0.000 1.047 175 K CA 1.089 57.478 56.287 0.169 0.000 0.937 175 K CB 0.149 32.707 32.500 0.095 0.000 0.718 175 K HN 0.652 nan 8.250 nan 0.000 0.438 176 S N -2.561 113.211 115.700 0.121 0.000 2.685 176 S HA 0.165 4.636 4.470 0.001 0.000 0.282 176 S C -0.314 174.008 174.600 -0.465 0.000 1.159 176 S CA -0.709 57.508 58.200 0.028 0.000 0.833 176 S CB 0.406 63.673 63.200 0.113 0.000 1.151 176 S HN 0.230 nan 8.310 nan 0.000 0.485 177 Y N 1.660 121.581 120.300 -0.633 0.000 2.181 177 Y HA -0.301 4.249 4.550 0.001 0.000 0.279 177 Y C 1.997 177.687 175.900 -0.351 0.000 1.228 177 Y CA 2.740 60.509 58.100 -0.551 0.000 1.164 177 Y CB -0.145 38.252 38.460 -0.104 0.000 0.959 177 Y HN 0.760 nan 8.280 nan 0.000 0.521 178 E N -0.226 120.021 120.200 0.077 0.000 2.046 178 E HA -0.134 4.216 4.350 0.001 0.000 0.190 178 E C 2.322 178.931 176.600 0.013 0.000 0.982 178 E CA 1.194 57.638 56.400 0.075 0.000 0.800 178 E CB -0.584 29.138 29.700 0.037 0.000 0.756 178 E HN 0.574 nan 8.360 nan 0.000 0.449 179 L N -0.348 120.855 121.223 -0.033 0.000 2.093 179 L HA -0.114 4.227 4.340 0.001 0.000 0.208 179 L C 2.111 178.978 176.870 -0.005 0.000 1.085 179 L CA 1.316 56.154 54.840 -0.004 0.000 0.755 179 L CB -0.234 41.823 42.059 -0.004 0.000 0.904 179 L HN 0.205 nan 8.230 nan 0.000 0.435 180 A N -0.815 121.939 122.820 -0.110 0.000 1.969 180 A HA -0.181 4.140 4.320 0.001 0.000 0.218 180 A C 2.270 179.826 177.584 -0.046 0.000 1.169 180 A CA 1.210 53.190 52.037 -0.094 0.000 0.635 180 A CB -0.331 18.519 19.000 -0.250 0.000 0.810 180 A HN 0.271 nan 8.150 nan 0.000 0.445 181 K N 0.083 120.452 120.400 -0.051 0.000 2.044 181 K HA -0.210 4.111 4.320 0.001 0.000 0.210 181 K C 1.868 178.468 176.600 -0.000 0.000 1.049 181 K CA 1.914 58.192 56.287 -0.014 0.000 0.927 181 K CB -0.304 32.233 32.500 0.061 0.000 0.713 181 K HN 0.733 nan 8.250 nan 0.000 0.443 182 E N -0.221 120.013 120.200 0.056 0.000 2.023 182 E HA -0.170 4.181 4.350 0.001 0.000 0.196 182 E C 1.340 177.917 176.600 -0.039 0.000 1.003 182 E CA 1.315 57.740 56.400 0.043 0.000 0.809 182 E CB -0.209 29.610 29.700 0.198 0.000 0.755 182 E HN 0.189 nan 8.360 nan 0.000 0.449 183 F N -0.481 119.439 119.950 -0.050 0.000 2.701 183 F HA 0.293 4.821 4.527 0.001 0.000 0.295 183 F C 1.147 176.908 175.800 -0.065 0.000 1.165 183 F CA -0.028 57.944 58.000 -0.046 0.000 1.399 183 F CB 0.449 39.437 39.000 -0.021 0.000 0.996 183 F HN 0.011 nan 8.300 nan 0.000 0.513 184 A N -1.165 121.648 122.820 -0.012 0.000 2.287 184 A HA 0.160 4.481 4.320 0.001 0.000 0.214 184 A C 1.903 179.315 177.584 -0.287 0.000 1.228 184 A CA 0.005 51.973 52.037 -0.114 0.000 0.939 184 A CB -0.005 18.935 19.000 -0.101 0.000 0.992 184 A HN 0.293 nan 8.150 nan 0.000 0.502 185 E N 0.456 120.511 120.200 -0.243 0.000 2.107 185 E HA -0.171 4.180 4.350 0.001 0.000 0.191 185 E C 1.523 177.976 176.600 -0.245 0.000 0.982 185 E CA 1.569 57.806 56.400 -0.272 0.000 0.809 185 E CB 0.037 29.622 29.700 -0.191 0.000 0.756 185 E HN 0.820 nan 8.360 nan 0.000 0.459 186 E N 0.276 120.347 120.200 -0.214 0.000 2.330 186 E HA 0.176 4.527 4.350 0.001 0.000 0.200 186 E C 0.433 176.966 176.600 -0.113 0.000 0.922 186 E CA 0.310 56.608 56.400 -0.171 0.000 0.935 186 E CB 0.244 29.816 29.700 -0.212 0.000 0.917 186 E HN 0.059 nan 8.360 nan 0.000 0.491 187 A N 1.816 124.584 122.820 -0.086 0.000 2.807 187 A HA 0.623 4.944 4.320 0.001 0.000 0.307 187 A C 1.097 178.675 177.584 -0.011 0.000 1.532 187 A CA 0.114 52.144 52.037 -0.013 0.000 1.215 187 A CB -1.272 17.765 19.000 0.061 0.000 1.127 187 A HN 0.368 nan 8.150 nan 0.000 0.543 188 G N 0.932 109.732 108.800 -0.001 0.000 2.582 188 G HA2 -0.302 3.658 3.960 0.001 0.000 0.300 188 G HA3 -0.302 3.658 3.960 0.001 0.000 0.300 188 G C 0.477 175.423 174.900 0.076 0.000 1.300 188 G CA 1.181 46.311 45.100 0.050 0.000 0.959 188 G HN 1.183 nan 8.290 nan 0.000 0.548 189 F N -0.310 119.657 119.950 0.027 0.000 1.890 189 F HA 0.259 4.787 4.527 0.001 0.000 0.261 189 F C -1.763 174.059 175.800 0.035 0.000 1.066 189 F CA 0.096 58.111 58.000 0.025 0.000 1.235 189 F CB 0.495 39.506 39.000 0.017 0.000 1.548 189 F HN 0.301 nan 8.300 nan 0.000 0.593 190 P HA 0.108 nan 4.420 nan 0.000 0.257 190 P C -1.116 176.318 177.300 0.224 0.000 1.227 190 P CA 1.225 64.436 63.100 0.186 0.000 0.981 190 P CB 0.208 32.026 31.700 0.197 0.000 1.044 191 L N 2.540 123.873 121.223 0.182 0.000 2.283 191 L HA 0.733 5.074 4.340 0.001 0.000 0.259 191 L C -0.007 176.924 176.870 0.101 0.000 1.027 191 L CA -1.161 53.776 54.840 0.161 0.000 0.828 191 L CB 2.000 44.147 42.059 0.146 0.000 1.380 191 L HN 0.187 nan 8.230 nan 0.000 0.425 192 M N 2.162 121.814 119.600 0.087 0.000 2.213 192 M HA 0.483 4.963 4.480 0.001 0.000 0.286 192 M C -1.819 174.461 176.300 -0.033 0.000 1.008 192 M CA -0.287 55.024 55.300 0.019 0.000 0.937 192 M CB 1.699 34.329 32.600 0.050 0.000 1.600 192 M HN 0.414 nan 8.290 nan 0.000 0.450 193 I N 6.296 126.835 120.570 -0.052 0.000 2.325 193 I HA 0.467 4.637 4.170 0.001 0.000 0.291 193 I C -1.188 174.815 176.117 -0.190 0.000 1.019 193 I CA -0.053 61.192 61.300 -0.091 0.000 1.302 193 I CB 0.504 38.505 38.000 0.000 0.000 1.401 193 I HN 0.921 nan 8.210 nan 0.000 0.485 194 K N 6.435 126.615 120.400 -0.368 0.000 2.464 194 K HA 0.819 5.139 4.320 0.001 0.000 0.253 194 K C -0.899 175.394 176.600 -0.511 0.000 0.933 194 K CA -0.876 55.161 56.287 -0.417 0.000 0.801 194 K CB 1.855 34.093 32.500 -0.437 0.000 1.271 194 K HN 0.441 nan 8.250 nan 0.000 0.430 195 A N 1.720 124.398 122.820 -0.236 0.000 2.260 195 A HA 0.488 4.808 4.320 0.001 0.000 0.278 195 A C -0.318 177.215 177.584 -0.085 0.000 1.269 195 A CA -0.355 51.610 52.037 -0.120 0.000 0.824 195 A CB 0.131 19.151 19.000 0.034 0.000 1.238 195 A HN 0.731 nan 8.150 nan 0.000 0.507 196 T N 1.010 115.521 114.554 -0.072 0.000 2.859 196 T HA 0.476 4.827 4.350 0.001 0.000 0.281 196 T C 0.317 174.854 174.700 -0.271 0.000 1.005 196 T CA 0.636 62.714 62.100 -0.036 0.000 1.025 196 T CB 1.086 69.976 68.868 0.037 0.000 0.977 196 T HN 1.920 nan 8.240 nan 0.000 0.458 197 S N 0.348 115.940 115.700 -0.179 0.000 3.559 197 S HA -0.134 4.337 4.470 0.001 0.000 0.369 197 S C 0.628 174.938 174.600 -0.484 0.000 0.987 197 S CA 0.068 58.136 58.200 -0.220 0.000 1.187 197 S CB -2.258 60.868 63.200 -0.123 0.000 0.914 197 S HN 1.355 nan 8.310 nan 0.000 0.480 198 G N 0.130 108.619 108.800 -0.518 0.000 2.491 198 G HA2 0.516 4.476 3.960 0.001 0.000 0.238 198 G HA3 0.516 4.476 3.960 0.001 0.000 0.238 198 G C 0.960 175.789 174.900 -0.118 0.000 1.277 198 G CA -0.222 44.541 45.100 -0.561 0.000 0.851 198 G HN 0.940 nan 8.290 nan 0.000 0.573 199 G N 1.373 110.286 108.800 0.188 0.000 2.655 199 G HA2 0.424 4.384 3.960 0.001 0.000 0.217 199 G HA3 0.424 4.384 3.960 0.001 0.000 0.217 199 G C 0.922 175.890 174.900 0.114 0.000 1.279 199 G CA 0.794 45.992 45.100 0.162 0.000 0.870 199 G HN 0.975 nan 8.290 nan 0.000 0.560 200 G N -1.020 107.868 108.800 0.147 0.000 2.702 200 G HA2 0.423 4.383 3.960 0.001 0.000 0.254 200 G HA3 0.423 4.383 3.960 0.001 0.000 0.254 200 G C 0.826 175.802 174.900 0.127 0.000 1.380 200 G CA 0.162 45.317 45.100 0.090 0.000 1.042 200 G HN 0.652 nan 8.290 nan 0.000 0.557 201 G N -0.614 108.253 108.800 0.111 0.000 3.318 201 G HA2 0.175 4.136 3.960 0.001 0.000 0.230 201 G HA3 0.175 4.136 3.960 0.001 0.000 0.230 201 G C 1.132 176.130 174.900 0.164 0.000 1.317 201 G CA 0.169 45.380 45.100 0.185 0.000 1.197 201 G HN 0.407 nan 8.290 nan 0.000 0.514 202 K N 0.323 120.818 120.400 0.160 0.000 1.995 202 K HA 0.083 4.403 4.320 0.001 0.000 0.207 202 K C 2.705 179.394 176.600 0.148 0.000 1.041 202 K CA 1.198 57.544 56.287 0.098 0.000 0.942 202 K CB -0.526 31.953 32.500 -0.036 0.000 0.731 202 K HN 0.175 nan 8.250 nan 0.000 0.439 203 G N 0.366 109.377 108.800 0.352 0.000 2.470 203 G HA2 -0.145 3.815 3.960 0.001 0.000 0.220 203 G HA3 -0.145 3.815 3.960 0.001 0.000 0.220 203 G C 0.444 175.370 174.900 0.044 0.000 1.121 203 G CA 0.455 45.711 45.100 0.260 0.000 0.766 203 G HN 0.132 nan 8.290 nan 0.000 0.553 204 M N -0.531 119.084 119.600 0.025 0.000 2.241 204 M HA 0.515 4.996 4.480 0.001 0.000 0.335 204 M C 0.255 176.555 176.300 0.001 0.000 1.122 204 M CA 0.123 55.383 55.300 -0.067 0.000 1.164 204 M CB 1.224 33.695 32.600 -0.215 0.000 1.459 204 M HN 0.061 nan 8.290 nan 0.000 0.461 205 R N 2.722 123.200 120.500 -0.037 0.000 2.647 205 R HA 0.392 4.732 4.340 0.001 0.000 0.260 205 R C -1.577 174.703 176.300 -0.033 0.000 1.154 205 R CA -0.550 55.551 56.100 0.003 0.000 1.029 205 R CB 1.054 31.346 30.300 -0.013 0.000 1.262 205 R HN 0.774 nan 8.270 nan 0.000 0.437 206 I N 1.964 122.508 120.570 -0.043 0.000 2.428 206 I HA 0.518 4.688 4.170 0.001 0.000 0.289 206 I C -0.658 175.386 176.117 -0.122 0.000 1.019 206 I CA -0.572 60.641 61.300 -0.145 0.000 1.351 206 I CB 1.486 39.292 38.000 -0.324 0.000 1.412 206 I HN 0.222 nan 8.210 nan 0.000 0.513 207 V N 7.278 127.128 119.914 -0.105 0.000 2.444 207 V HA 0.475 4.595 4.120 0.001 0.000 0.294 207 V C 0.630 176.676 176.094 -0.081 0.000 1.022 207 V CA -0.423 61.845 62.300 -0.054 0.000 0.850 207 V CB 1.597 33.444 31.823 0.040 0.000 0.992 207 V HN 0.834 nan 8.190 nan 0.000 0.426 208 R N 1.932 122.333 120.500 -0.165 0.000 2.207 208 R HA 0.319 4.659 4.340 0.001 0.000 0.180 208 R C 0.330 176.294 176.300 -0.560 0.000 1.445 208 R CA -0.321 55.629 56.100 -0.251 0.000 1.217 208 R CB 0.236 30.413 30.300 -0.206 0.000 1.135 208 R HN 0.641 nan 8.270 nan 0.000 0.481 209 E N 1.378 121.297 120.200 -0.469 0.000 2.322 209 E HA 0.092 4.442 4.350 0.001 0.000 0.257 209 E C -0.806 175.495 176.600 -0.499 0.000 1.155 209 E CA -0.247 55.806 56.400 -0.577 0.000 0.936 209 E CB 0.860 30.395 29.700 -0.274 0.000 1.130 209 E HN 0.036 nan 8.360 nan 0.000 0.465 210 E N -0.160 119.867 120.200 -0.287 0.000 2.409 210 E HA 0.068 4.419 4.350 0.001 0.000 0.257 210 E C -0.258 176.383 176.600 0.067 0.000 1.150 210 E CA 0.834 57.314 56.400 0.134 0.000 0.942 210 E CB 0.353 30.199 29.700 0.243 0.000 0.979 210 E HN 0.612 nan 8.360 nan 0.000 0.447 211 S N 0.358 116.127 115.700 0.115 0.000 2.981 211 S HA -0.251 4.219 4.470 0.001 0.000 0.274 211 S C 0.725 175.357 174.600 0.054 0.000 1.297 211 S CA 1.598 59.848 58.200 0.083 0.000 1.266 211 S CB -1.045 62.193 63.200 0.063 0.000 1.542 211 S HN 0.722 nan 8.310 nan 0.000 0.674 212 E N -0.349 119.871 120.200 0.034 0.000 2.415 212 E HA 0.238 4.589 4.350 0.001 0.000 0.197 212 E C 1.708 178.318 176.600 0.016 0.000 1.007 212 E CA 0.206 56.612 56.400 0.010 0.000 0.890 212 E CB 0.000 29.681 29.700 -0.032 0.000 0.891 212 E HN 0.415 nan 8.360 nan 0.000 0.496 213 L N 1.734 122.973 121.223 0.026 0.000 2.362 213 L HA -0.135 4.205 4.340 0.001 0.000 0.219 213 L C 1.713 178.490 176.870 -0.155 0.000 1.134 213 L CA 1.494 56.316 54.840 -0.029 0.000 0.807 213 L CB -0.055 41.991 42.059 -0.022 0.000 0.927 213 L HN 0.064 nan 8.230 nan 0.000 0.447 214 E N -0.471 119.661 120.200 -0.113 0.000 2.006 214 E HA -0.216 4.134 4.350 0.001 0.000 0.192 214 E C 1.558 178.211 176.600 0.088 0.000 0.993 214 E CA 1.770 58.120 56.400 -0.082 0.000 0.808 214 E CB -0.251 29.554 29.700 0.175 0.000 0.764 214 E HN 0.532 nan 8.360 nan 0.000 0.449 215 D N 0.534 120.996 120.400 0.104 0.000 2.194 215 D HA -0.005 4.635 4.640 0.001 0.000 0.204 215 D C 1.796 178.168 176.300 0.119 0.000 0.964 215 D CA 1.028 55.103 54.000 0.125 0.000 0.846 215 D CB -0.065 40.782 40.800 0.078 0.000 0.962 215 D HN 0.182 nan 8.370 nan 0.000 0.490 216 A N 0.410 123.278 122.820 0.080 0.000 1.877 216 A HA -0.179 4.142 4.320 0.001 0.000 0.216 216 A C 2.010 179.638 177.584 0.074 0.000 1.186 216 A CA 1.008 53.080 52.037 0.057 0.000 0.620 216 A CB -1.086 17.933 19.000 0.031 0.000 0.822 216 A HN 0.298 nan 8.150 nan 0.000 0.443 217 F N 0.270 120.192 119.950 -0.047 0.000 2.065 217 F HA -0.271 4.256 4.527 0.001 0.000 0.298 217 F C 2.507 178.256 175.800 -0.086 0.000 1.112 217 F CA 2.450 60.395 58.000 -0.092 0.000 1.212 217 F CB -0.344 38.558 39.000 -0.164 0.000 0.975 217 F HN 0.384 nan 8.300 nan 0.000 0.476 218 H N -0.301 118.812 119.070 0.072 0.000 2.363 218 H HA -0.013 4.543 4.556 0.001 0.000 0.301 218 H C 2.539 177.827 175.328 -0.067 0.000 1.074 218 H CA 1.193 57.234 56.048 -0.011 0.000 1.354 218 H CB -0.144 29.697 29.762 0.131 0.000 1.397 218 H HN 0.179 nan 8.280 nan 0.000 0.516 219 R N 0.674 121.225 120.500 0.085 0.000 2.103 219 R HA -0.099 4.241 4.340 0.001 0.000 0.242 219 R C 2.278 178.555 176.300 -0.037 0.000 1.142 219 R CA 1.143 57.256 56.100 0.022 0.000 0.960 219 R CB -0.410 29.903 30.300 0.022 0.000 0.858 219 R HN 0.284 nan 8.270 nan 0.000 0.439 220 A N 0.635 123.405 122.820 -0.084 0.000 1.929 220 A HA -0.147 4.174 4.320 0.001 0.000 0.216 220 A C 2.144 179.643 177.584 -0.142 0.000 1.176 220 A CA 1.388 53.360 52.037 -0.109 0.000 0.628 220 A CB -0.252 18.667 19.000 -0.134 0.000 0.816 220 A HN 0.236 nan 8.150 nan 0.000 0.444 221 K N 0.338 120.585 120.400 -0.255 0.000 2.062 221 K HA -0.114 4.206 4.320 0.001 0.000 0.205 221 K C 2.260 178.799 176.600 -0.103 0.000 1.051 221 K CA 1.639 57.774 56.287 -0.253 0.000 0.941 221 K CB -0.139 32.065 32.500 -0.493 0.000 0.719 221 K HN 0.593 nan 8.250 nan 0.000 0.440 222 S N 0.117 115.783 115.700 -0.057 0.000 2.406 222 S HA -0.118 4.352 4.470 0.001 0.000 0.228 222 S C 1.911 176.485 174.600 -0.043 0.000 1.020 222 S CA 0.913 59.104 58.200 -0.014 0.000 0.965 222 S CB -0.074 63.142 63.200 0.027 0.000 0.798 222 S HN 0.393 nan 8.310 nan 0.000 0.488 223 E N 1.460 121.622 120.200 -0.062 0.000 2.152 223 E HA 0.020 4.370 4.350 0.001 0.000 0.192 223 E C 2.108 178.607 176.600 -0.169 0.000 0.983 223 E CA 0.720 57.059 56.400 -0.101 0.000 0.818 223 E CB -0.314 29.334 29.700 -0.087 0.000 0.758 223 E HN 0.664 nan 8.360 nan 0.000 0.467 224 A N 1.074 123.840 122.820 -0.089 0.000 1.898 224 A HA -0.217 4.103 4.320 0.001 0.000 0.216 224 A C 1.999 179.564 177.584 -0.033 0.000 1.181 224 A CA 1.720 53.754 52.037 -0.005 0.000 0.620 224 A CB -0.467 18.655 19.000 0.204 0.000 0.819 224 A HN 0.262 nan 8.150 nan 0.000 0.442 225 E N 0.348 120.537 120.200 -0.018 0.000 2.077 225 E HA -0.140 4.211 4.350 0.001 0.000 0.193 225 E C 1.680 178.245 176.600 -0.059 0.000 0.989 225 E CA 1.676 58.072 56.400 -0.005 0.000 0.800 225 E CB -0.196 29.506 29.700 0.004 0.000 0.746 225 E HN 0.577 nan 8.360 nan 0.000 0.452 226 K N -0.630 119.707 120.400 -0.104 0.000 2.487 226 K HA 0.145 4.465 4.320 0.001 0.000 0.192 226 K C 1.328 177.809 176.600 -0.197 0.000 1.027 226 K CA 0.485 56.703 56.287 -0.114 0.000 1.054 226 K CB 0.392 32.840 32.500 -0.087 0.000 0.824 226 K HN -0.002 nan 8.250 nan 0.000 0.510 227 S N -0.398 115.082 115.700 -0.366 0.000 2.811 227 S HA 0.229 4.699 4.470 0.001 0.000 0.237 227 S C 0.578 174.878 174.600 -0.499 0.000 1.038 227 S CA -0.047 57.801 58.200 -0.585 0.000 0.881 227 S CB 0.142 62.694 63.200 -1.080 0.000 0.815 227 S HN 0.072 nan 8.310 nan 0.000 0.582 228 F N 0.728 120.674 119.950 -0.007 0.000 2.561 228 F HA 0.667 5.194 4.527 0.001 0.000 0.312 228 F C 2.016 177.820 175.800 0.007 0.000 1.105 228 F CA -0.628 57.372 58.000 -0.000 0.000 1.092 228 F CB -0.603 38.400 39.000 0.005 0.000 1.893 228 F HN 0.188 nan 8.300 nan 0.000 0.555 229 G N -0.117 108.837 108.800 0.257 0.000 2.632 229 G HA2 0.023 3.984 3.960 0.001 0.000 0.220 229 G HA3 0.023 3.984 3.960 0.001 0.000 0.220 229 G C 0.253 175.227 174.900 0.123 0.000 1.439 229 G CA -0.067 45.117 45.100 0.140 0.000 0.934 229 G HN 0.637 nan 8.290 nan 0.000 0.536 230 N N -0.227 118.544 118.700 0.118 0.000 2.328 230 N HA 0.202 4.943 4.740 0.001 0.000 0.277 230 N C 0.001 175.577 175.510 0.111 0.000 1.286 230 N CA 0.575 53.680 53.050 0.092 0.000 0.949 230 N CB 0.820 39.347 38.487 0.068 0.000 1.136 230 N HN 0.332 nan 8.380 nan 0.000 0.550 231 S N -2.456 113.287 115.700 0.072 0.000 3.021 231 S HA 0.104 4.574 4.470 0.001 0.000 0.252 231 S C -0.542 174.070 174.600 0.021 0.000 0.996 231 S CA -0.752 57.477 58.200 0.049 0.000 1.084 231 S CB -0.108 63.101 63.200 0.014 0.000 1.021 231 S HN 0.481 nan 8.310 nan 0.000 0.566 232 E N 2.773 123.001 120.200 0.047 0.000 2.161 232 E HA 0.175 4.526 4.350 0.001 0.000 0.263 232 E C -0.121 176.524 176.600 0.074 0.000 1.185 232 E CA 0.084 56.520 56.400 0.060 0.000 0.938 232 E CB 0.950 30.690 29.700 0.067 0.000 1.023 232 E HN 0.542 nan 8.360 nan 0.000 0.433 233 V N 2.016 121.956 119.914 0.043 0.000 2.407 233 V HA 0.506 4.626 4.120 0.001 0.000 0.291 233 V C -0.483 175.665 176.094 0.091 0.000 1.018 233 V CA -1.052 61.244 62.300 -0.007 0.000 0.842 233 V CB 0.239 31.953 31.823 -0.182 0.000 0.996 233 V HN 0.453 nan 8.190 nan 0.000 0.426 234 Y N 3.769 124.082 120.300 0.021 0.000 2.565 234 Y HA 0.866 5.416 4.550 0.001 0.000 0.325 234 Y C -0.398 175.536 175.900 0.056 0.000 1.221 234 Y CA -1.750 56.378 58.100 0.047 0.000 1.316 234 Y CB 1.727 40.202 38.460 0.026 0.000 1.404 234 Y HN 0.729 nan 8.280 nan 0.000 0.527 235 I N 1.425 122.108 120.570 0.189 0.000 2.533 235 I HA 0.387 4.558 4.170 0.001 0.000 0.290 235 I C -1.422 174.801 176.117 0.175 0.000 1.056 235 I CA -0.604 60.747 61.300 0.085 0.000 1.057 235 I CB 1.759 39.818 38.000 0.099 0.000 1.240 235 I HN 1.032 nan 8.210 nan 0.000 0.423 236 E N 6.529 126.798 120.200 0.114 0.000 2.410 236 E HA 0.443 4.793 4.350 0.001 0.000 0.269 236 E C -1.027 175.623 176.600 0.083 0.000 0.937 236 E CA -1.224 55.254 56.400 0.129 0.000 0.793 236 E CB 1.321 31.131 29.700 0.182 0.000 1.314 236 E HN 0.576 nan 8.360 nan 0.000 0.447 237 R N 1.123 121.657 120.500 0.056 0.000 2.449 237 R HA 0.044 4.384 4.340 0.001 0.000 0.296 237 R C -1.137 175.189 176.300 0.042 0.000 1.047 237 R CA -0.242 55.884 56.100 0.044 0.000 1.018 237 R CB 0.201 30.492 30.300 -0.015 0.000 0.962 237 R HN 0.632 nan 8.270 nan 0.000 0.428 238 Y N 6.226 126.512 120.300 -0.023 0.000 2.393 238 Y HA 0.271 4.821 4.550 0.001 0.000 0.338 238 Y C -0.839 175.042 175.900 -0.031 0.000 1.029 238 Y CA -0.552 57.533 58.100 -0.025 0.000 1.239 238 Y CB 0.430 38.889 38.460 -0.001 0.000 1.170 238 Y HN 0.471 nan 8.280 nan 0.000 0.515 239 I N 5.884 126.106 120.570 -0.580 0.000 2.321 239 I HA 0.215 4.385 4.170 0.001 0.000 0.291 239 I C -0.117 175.562 176.117 -0.731 0.000 0.998 239 I CA -0.597 60.406 61.300 -0.495 0.000 1.227 239 I CB 0.874 38.687 38.000 -0.312 0.000 1.368 239 I HN 0.539 nan 8.210 nan 0.000 0.466 240 D N 5.057 125.185 120.400 -0.453 0.000 2.372 240 D HA 0.076 4.716 4.640 0.001 0.000 0.243 240 D C 0.438 176.676 176.300 -0.104 0.000 1.121 240 D CA 0.421 54.270 54.000 -0.251 0.000 0.898 240 D CB 0.401 41.208 40.800 0.013 0.000 1.202 240 D HN 0.552 nan 8.370 nan 0.000 0.428 241 N N 1.460 120.159 118.700 -0.001 0.000 2.686 241 N HA -0.139 4.602 4.740 0.001 0.000 0.261 241 N C -2.369 173.165 175.510 0.041 0.000 1.001 241 N CA 0.056 53.139 53.050 0.055 0.000 0.764 241 N CB -0.538 37.990 38.487 0.069 0.000 0.898 241 N HN 0.394 nan 8.380 nan 0.000 0.544 242 P HA 0.276 nan 4.420 nan 0.000 0.281 242 P C -0.423 176.937 177.300 0.100 0.000 1.264 242 P CA -0.227 62.907 63.100 0.056 0.000 0.824 242 P CB 1.287 33.008 31.700 0.035 0.000 1.092 243 K N 0.471 120.926 120.400 0.091 0.000 2.206 243 K HA 0.262 4.582 4.320 0.001 0.000 0.264 243 K C -0.379 176.305 176.600 0.139 0.000 0.967 243 K CA -0.547 55.799 56.287 0.099 0.000 0.844 243 K CB 0.508 33.017 32.500 0.016 0.000 1.099 243 K HN 0.576 nan 8.250 nan 0.000 0.441 244 H N 4.244 123.372 119.070 0.097 0.000 2.782 244 H HA 0.209 4.766 4.556 0.001 0.000 0.285 244 H C -0.711 174.668 175.328 0.086 0.000 1.093 244 H CA -0.400 55.706 56.048 0.097 0.000 1.410 244 H CB 0.305 30.125 29.762 0.097 0.000 1.439 244 H HN 0.279 nan 8.280 nan 0.000 0.469 245 I N 5.820 126.333 120.570 -0.095 0.000 2.436 245 I HA 0.204 4.375 4.170 0.001 0.000 0.289 245 I C -0.271 175.827 176.117 -0.032 0.000 1.010 245 I CA -0.742 60.555 61.300 -0.006 0.000 1.098 245 I CB 1.464 39.452 38.000 -0.021 0.000 1.266 245 I HN 0.764 nan 8.210 nan 0.000 0.434 246 E N 5.636 125.867 120.200 0.052 0.000 2.277 246 E HA 0.764 5.114 4.350 0.001 0.000 0.266 246 E C -1.649 174.998 176.600 0.078 0.000 0.901 246 E CA -0.855 55.580 56.400 0.059 0.000 0.782 246 E CB 2.755 32.505 29.700 0.083 0.000 1.228 246 E HN 0.207 nan 8.360 nan 0.000 0.424 247 V N 1.823 121.781 119.914 0.073 0.000 2.459 247 V HA 0.187 4.307 4.120 0.001 0.000 0.295 247 V C -0.319 175.792 176.094 0.030 0.000 1.029 247 V CA -0.836 61.490 62.300 0.043 0.000 0.874 247 V CB 1.433 33.262 31.823 0.010 0.000 0.985 247 V HN 0.730 nan 8.190 nan 0.000 0.438 248 Q N 3.362 123.199 119.800 0.061 0.000 2.304 248 Q HA 0.530 4.870 4.340 0.001 0.000 0.260 248 Q C -1.090 174.944 176.000 0.056 0.000 0.965 248 Q CA 0.261 56.100 55.803 0.060 0.000 0.898 248 Q CB 1.473 30.268 28.738 0.096 0.000 1.196 248 Q HN 0.560 nan 8.270 nan 0.000 0.402 249 V N 5.799 125.725 119.914 0.020 0.000 2.686 249 V HA 0.522 4.643 4.120 0.001 0.000 0.306 249 V C -0.993 175.131 176.094 0.051 0.000 1.065 249 V CA -0.673 61.639 62.300 0.021 0.000 0.894 249 V CB 1.917 33.711 31.823 -0.048 0.000 1.004 249 V HN 0.724 nan 8.190 nan 0.000 0.424 250 I N 3.765 124.375 120.570 0.067 0.000 2.466 250 I HA 0.760 4.930 4.170 0.001 0.000 0.289 250 I C 0.526 176.691 176.117 0.080 0.000 1.026 250 I CA 0.162 61.513 61.300 0.085 0.000 1.078 250 I CB 2.080 40.114 38.000 0.056 0.000 1.249 250 I HN 0.694 nan 8.210 nan 0.000 0.429 251 G N 3.266 112.126 108.800 0.100 0.000 2.511 251 G HA2 0.687 4.648 3.960 0.001 0.000 0.318 251 G HA3 0.687 4.648 3.960 0.001 0.000 0.318 251 G C -1.476 173.433 174.900 0.014 0.000 1.210 251 G CA -0.456 44.680 45.100 0.060 0.000 0.969 251 G HN 0.557 nan 8.290 nan 0.000 0.484 252 D N -1.489 118.925 120.400 0.024 0.000 2.506 252 D HA 0.287 4.927 4.640 0.001 0.000 0.254 252 D C 0.843 177.178 176.300 0.059 0.000 1.089 252 D CA -0.745 53.279 54.000 0.040 0.000 1.050 252 D CB 1.048 41.883 40.800 0.058 0.000 1.221 252 D HN 0.288 nan 8.370 nan 0.000 0.589 253 E N -0.656 119.621 120.200 0.129 0.000 2.204 253 E HA -0.158 4.192 4.350 0.001 0.000 0.194 253 E C 1.069 177.722 176.600 0.088 0.000 0.989 253 E CA 0.938 57.402 56.400 0.107 0.000 0.824 253 E CB -0.281 29.488 29.700 0.115 0.000 0.756 253 E HN 0.566 nan 8.360 nan 0.000 0.477 254 H N -0.024 119.061 119.070 0.025 0.000 2.566 254 H HA 0.169 4.726 4.556 0.001 0.000 0.280 254 H C 0.771 176.116 175.328 0.028 0.000 1.042 254 H CA 0.314 56.379 56.048 0.028 0.000 1.168 254 H CB 0.313 30.088 29.762 0.021 0.000 1.340 254 H HN 0.262 nan 8.280 nan 0.000 0.597 255 G N 1.603 110.475 108.800 0.120 0.000 2.149 255 G HA2 -0.253 3.708 3.960 0.001 0.000 0.235 255 G HA3 -0.253 3.708 3.960 0.001 0.000 0.235 255 G C -0.565 174.379 174.900 0.075 0.000 1.018 255 G CA -0.224 44.927 45.100 0.085 0.000 0.728 255 G HN 0.430 nan 8.290 nan 0.000 0.508 256 N N 0.148 118.892 118.700 0.073 0.000 2.399 256 N HA 0.696 5.436 4.740 0.001 0.000 0.280 256 N C -0.331 175.205 175.510 0.044 0.000 1.008 256 N CA -0.836 52.244 53.050 0.050 0.000 0.894 256 N CB 1.582 40.091 38.487 0.038 0.000 1.273 256 N HN 0.143 nan 8.380 nan 0.000 0.486 257 I N 1.855 122.449 120.570 0.040 0.000 2.498 257 I HA 0.536 4.707 4.170 0.001 0.000 0.290 257 I C -0.295 175.832 176.117 0.017 0.000 1.032 257 I CA -1.141 60.185 61.300 0.044 0.000 1.073 257 I CB 1.157 39.198 38.000 0.068 0.000 1.251 257 I HN 0.247 nan 8.210 nan 0.000 0.426 258 V N 2.254 122.168 119.914 0.001 0.000 2.876 258 V HA 0.665 4.786 4.120 0.001 0.000 0.312 258 V C -0.593 175.477 176.094 -0.041 0.000 1.085 258 V CA -0.715 61.549 62.300 -0.059 0.000 0.945 258 V CB 1.696 33.457 31.823 -0.103 0.000 1.017 258 V HN 0.946 nan 8.190 nan 0.000 0.428 259 H N 2.800 121.809 119.070 -0.101 0.000 2.488 259 H HA 0.752 5.309 4.556 0.001 0.000 0.347 259 H C -0.456 174.787 175.328 -0.141 0.000 1.174 259 H CA -1.273 54.699 56.048 -0.126 0.000 1.307 259 H CB 1.548 31.202 29.762 -0.181 0.000 1.517 259 H HN 0.624 nan 8.280 nan 0.000 0.554 260 L N 3.253 124.512 121.223 0.060 0.000 3.141 260 L HA 0.277 4.617 4.340 0.001 0.000 0.263 260 L C -0.803 176.273 176.870 0.343 0.000 1.312 260 L CA -0.341 54.570 54.840 0.119 0.000 1.012 260 L CB -0.875 41.252 42.059 0.113 0.000 1.408 260 L HN 0.621 nan 8.230 nan 0.000 0.559 261 F N -0.406 119.767 119.950 0.372 0.000 2.183 261 F HA -0.334 4.193 4.527 0.001 0.000 0.318 261 F C 0.665 176.503 175.800 0.064 0.000 0.129 261 F CA 0.521 58.639 58.000 0.198 0.000 0.912 261 F CB -0.404 38.651 39.000 0.091 0.000 4.135 261 F HN 0.253 nan 8.300 nan 0.000 0.137 262 E N 0.528 120.879 120.200 0.251 0.000 2.222 262 E HA 0.762 5.113 4.350 0.001 0.000 0.267 262 E C -1.236 175.429 176.600 0.108 0.000 0.963 262 E CA -1.056 55.412 56.400 0.114 0.000 0.837 262 E CB 1.067 30.792 29.700 0.040 0.000 1.183 262 E HN 0.463 nan 8.360 nan 0.000 0.403 263 R N 0.974 121.533 120.500 0.099 0.000 2.439 263 R HA 0.302 4.642 4.340 0.001 0.000 0.310 263 R C -1.034 175.342 176.300 0.127 0.000 0.955 263 R CA -0.951 55.215 56.100 0.109 0.000 0.853 263 R CB 1.369 31.737 30.300 0.113 0.000 1.171 263 R HN 0.553 nan 8.270 nan 0.000 0.449 264 D N 2.050 122.522 120.400 0.120 0.000 2.343 264 D HA 0.077 4.717 4.640 0.001 0.000 0.255 264 D C -0.206 176.229 176.300 0.225 0.000 1.187 264 D CA -0.217 53.870 54.000 0.145 0.000 0.875 264 D CB 0.894 41.734 40.800 0.066 0.000 1.136 264 D HN 0.551 nan 8.370 nan 0.000 0.469 265 C N 2.805 122.266 119.300 0.268 0.000 2.969 265 C HA 0.191 4.651 4.460 0.001 0.000 0.260 265 C C 1.978 177.088 174.990 0.201 0.000 1.618 265 C CA -0.511 58.627 59.018 0.200 0.000 1.774 265 C CB -1.092 26.700 27.740 0.087 0.000 3.063 265 C HN 0.547 nan 8.230 nan 0.000 0.506 266 S N 0.887 116.787 115.700 0.334 0.000 2.402 266 S HA -0.074 4.396 4.470 0.001 0.000 0.229 266 S C 1.026 175.818 174.600 0.321 0.000 1.021 266 S CA 0.874 59.288 58.200 0.356 0.000 0.974 266 S CB -0.107 63.344 63.200 0.418 0.000 0.800 266 S HN 0.563 nan 8.310 nan 0.000 0.484 267 V N 3.255 123.331 119.914 0.269 0.000 2.382 267 V HA 0.099 4.220 4.120 0.001 0.000 0.250 267 V C -0.002 176.169 176.094 0.129 0.000 1.069 267 V CA 0.452 62.846 62.300 0.157 0.000 1.130 267 V CB -0.933 30.872 31.823 -0.030 0.000 1.165 267 V HN 0.394 nan 8.190 nan 0.000 0.483 268 Q N 3.189 123.075 119.800 0.143 0.000 2.347 268 Q HA 0.446 4.787 4.340 0.001 0.000 0.271 268 Q C 0.838 176.857 176.000 0.031 0.000 1.064 268 Q CA -0.869 54.976 55.803 0.069 0.000 0.800 268 Q CB 2.655 31.433 28.738 0.067 0.000 1.304 268 Q HN 0.729 nan 8.270 nan 0.000 0.438 269 R N 0.823 121.297 120.500 -0.043 0.000 2.057 269 R HA 0.148 4.488 4.340 0.001 0.000 0.224 269 R C 1.102 177.290 176.300 -0.186 0.000 1.136 269 R CA 0.461 56.488 56.100 -0.121 0.000 0.968 269 R CB 0.140 30.268 30.300 -0.285 0.000 0.863 269 R HN 0.326 nan 8.270 nan 0.000 0.433 270 R N 0.043 120.404 120.500 -0.233 0.000 1.799 270 R HA 0.208 4.548 4.340 0.001 0.000 0.150 270 R C 1.201 177.188 176.300 -0.522 0.000 1.953 270 R CA 0.497 56.381 56.100 -0.361 0.000 1.598 270 R CB -0.473 29.665 30.300 -0.270 0.000 1.119 270 R HN 0.378 nan 8.270 nan 0.000 0.479 271 H N -0.044 119.016 119.070 -0.016 0.000 2.885 271 H HA 0.267 4.824 4.556 0.001 0.000 0.254 271 H C -0.252 175.061 175.328 -0.025 0.000 1.185 271 H CA -0.137 55.912 56.048 0.002 0.000 1.029 271 H CB 1.165 30.938 29.762 0.019 0.000 1.743 271 H HN 0.257 nan 8.280 nan 0.000 0.632 272 Q N 1.981 121.792 119.800 0.019 0.000 2.278 272 Q HA 0.223 4.563 4.340 0.001 0.000 0.257 272 Q C -0.565 175.423 176.000 -0.019 0.000 0.928 272 Q CA -0.651 55.149 55.803 -0.006 0.000 0.932 272 Q CB 1.182 29.905 28.738 -0.026 0.000 1.221 272 Q HN 0.152 nan 8.270 nan 0.000 0.434 273 K N 2.411 122.791 120.400 -0.034 0.000 2.416 273 K HA 0.040 4.361 4.320 0.001 0.000 0.283 273 K C 0.210 176.814 176.600 0.006 0.000 1.037 273 K CA -0.259 56.010 56.287 -0.030 0.000 0.995 273 K CB 1.051 33.512 32.500 -0.064 0.000 0.938 273 K HN 0.432 nan 8.250 nan 0.000 0.475 274 V N 2.449 122.381 119.914 0.030 0.000 2.854 274 V HA 0.022 4.142 4.120 0.001 0.000 0.236 274 V C 0.164 176.277 176.094 0.032 0.000 1.157 274 V CA 0.248 62.580 62.300 0.054 0.000 1.187 274 V CB 0.942 32.825 31.823 0.100 0.000 0.949 274 V HN 0.456 nan 8.190 nan 0.000 0.488 275 V N 1.402 121.327 119.914 0.018 0.000 2.531 275 V HA 0.576 4.697 4.120 0.001 0.000 0.301 275 V C -1.153 175.001 176.094 0.100 0.000 1.034 275 V CA -0.573 61.733 62.300 0.011 0.000 0.865 275 V CB 1.750 33.493 31.823 -0.134 0.000 0.995 275 V HN 0.433 nan 8.190 nan 0.000 0.424 276 E N 2.906 123.181 120.200 0.126 0.000 2.212 276 E HA 0.750 5.100 4.350 0.001 0.000 0.268 276 E C -1.149 175.583 176.600 0.219 0.000 0.902 276 E CA -0.538 55.961 56.400 0.165 0.000 0.779 276 E CB 2.536 32.300 29.700 0.107 0.000 1.172 276 E HN 0.418 nan 8.360 nan 0.000 0.409 277 V N 1.267 121.329 119.914 0.247 0.000 2.604 277 V HA 0.862 4.983 4.120 0.001 0.000 0.305 277 V C -0.726 175.470 176.094 0.170 0.000 1.043 277 V CA -0.856 61.596 62.300 0.254 0.000 0.888 277 V CB 1.749 33.739 31.823 0.280 0.000 0.995 277 V HN 0.784 nan 8.190 nan 0.000 0.429 278 A N 6.743 129.662 122.820 0.165 0.000 2.374 278 A HA 0.980 5.301 4.320 0.001 0.000 0.305 278 A C -2.870 174.765 177.584 0.085 0.000 1.053 278 A CA -1.683 50.416 52.037 0.104 0.000 0.726 278 A CB 2.133 21.175 19.000 0.071 0.000 1.229 278 A HN 0.567 nan 8.150 nan 0.000 0.431 279 P HA 0.214 nan 4.420 nan 0.000 0.297 279 P C 0.334 177.668 177.300 0.057 0.000 1.303 279 P CA -0.285 62.813 63.100 -0.002 0.000 0.753 279 P CB 0.663 32.285 31.700 -0.130 0.000 1.281 280 S N -1.064 114.642 115.700 0.011 0.000 2.564 280 S HA 0.249 4.719 4.470 0.001 0.000 0.278 280 S C -0.186 174.363 174.600 -0.084 0.000 1.333 280 S CA -0.539 57.627 58.200 -0.056 0.000 1.048 280 S CB -0.468 62.690 63.200 -0.070 0.000 0.900 280 S HN 0.172 nan 8.310 nan 0.000 0.505 281 V N 4.525 124.285 119.914 -0.257 0.000 2.532 281 V HA 0.725 4.846 4.120 0.001 0.000 0.295 281 V C 1.492 177.409 176.094 -0.295 0.000 1.041 281 V CA 0.206 62.311 62.300 -0.324 0.000 0.926 281 V CB 0.587 31.993 31.823 -0.695 0.000 0.992 281 V HN 1.272 nan 8.190 nan 0.000 0.457 282 G N 3.328 112.004 108.800 -0.206 0.000 2.336 282 G HA2 -0.207 3.754 3.960 0.001 0.000 0.233 282 G HA3 -0.207 3.754 3.960 0.001 0.000 0.233 282 G C 0.168 174.994 174.900 -0.123 0.000 1.053 282 G CA -0.009 44.988 45.100 -0.172 0.000 0.625 282 G HN 0.573 nan 8.290 nan 0.000 0.511 283 L N 2.692 123.842 121.223 -0.122 0.000 2.453 283 L HA 0.417 4.758 4.340 0.001 0.000 0.272 283 L C 1.537 178.367 176.870 -0.067 0.000 1.182 283 L CA 0.234 55.018 54.840 -0.092 0.000 0.858 283 L CB 0.949 42.950 42.059 -0.097 0.000 1.120 283 L HN 0.577 nan 8.230 nan 0.000 0.474 284 S N 3.242 118.908 115.700 -0.057 0.000 2.568 284 S HA 0.130 4.601 4.470 0.001 0.000 0.282 284 S C -1.472 173.104 174.600 -0.040 0.000 1.338 284 S CA -1.157 57.018 58.200 -0.042 0.000 1.045 284 S CB 0.721 63.900 63.200 -0.036 0.000 0.873 284 S HN 0.495 nan 8.310 nan 0.000 0.516 285 P HA -0.221 nan 4.420 nan 0.000 0.216 285 P C 1.761 179.044 177.300 -0.027 0.000 1.157 285 P CA 2.303 65.393 63.100 -0.017 0.000 0.880 285 P CB -0.769 30.927 31.700 -0.008 0.000 0.791 286 T N -2.698 111.837 114.554 -0.031 0.000 2.867 286 T HA -0.082 4.269 4.350 0.001 0.000 0.268 286 T C 2.061 176.724 174.700 -0.063 0.000 1.057 286 T CA 0.563 62.640 62.100 -0.038 0.000 1.136 286 T CB -1.192 67.660 68.868 -0.026 0.000 0.874 286 T HN -0.007 nan 8.240 nan 0.000 0.466 287 L N 0.270 121.453 121.223 -0.067 0.000 2.017 287 L HA -0.022 4.318 4.340 0.001 0.000 0.208 287 L C 3.210 179.966 176.870 -0.190 0.000 1.073 287 L CA 1.450 56.232 54.840 -0.097 0.000 0.745 287 L CB -0.251 41.764 42.059 -0.074 0.000 0.894 287 L HN 0.224 nan 8.230 nan 0.000 0.432 288 R N -0.997 119.415 120.500 -0.147 0.000 2.120 288 R HA -0.214 4.126 4.340 0.001 0.000 0.234 288 R C 2.196 178.375 176.300 -0.201 0.000 1.123 288 R CA 1.171 57.174 56.100 -0.162 0.000 0.975 288 R CB -0.133 30.134 30.300 -0.055 0.000 0.866 288 R HN 0.292 nan 8.270 nan 0.000 0.446 289 Q N 0.720 120.429 119.800 -0.151 0.000 2.123 289 Q HA -0.053 4.287 4.340 0.001 0.000 0.199 289 Q C 1.776 177.641 176.000 -0.224 0.000 0.966 289 Q CA 1.579 57.292 55.803 -0.151 0.000 0.845 289 Q CB 0.131 28.825 28.738 -0.074 0.000 0.907 289 Q HN 0.188 nan 8.270 nan 0.000 0.439 290 R N -0.512 119.844 120.500 -0.240 0.000 2.090 290 R HA 0.014 4.354 4.340 0.001 0.000 0.228 290 R C 2.322 178.240 176.300 -0.637 0.000 1.110 290 R CA 1.302 57.242 56.100 -0.266 0.000 0.973 290 R CB -0.304 29.961 30.300 -0.060 0.000 0.869 290 R HN 0.316 nan 8.270 nan 0.000 0.440 291 I N 0.239 120.251 120.570 -0.931 0.000 2.179 291 I HA -0.331 3.839 4.170 0.001 0.000 0.242 291 I C 2.356 177.987 176.117 -0.810 0.000 1.088 291 I CA 1.088 61.595 61.300 -1.321 0.000 1.357 291 I CB -0.308 37.053 38.000 -1.066 0.000 1.051 291 I HN 0.225 nan 8.210 nan 0.000 0.409 292 C N 0.337 119.288 119.300 -0.581 0.000 2.446 292 C HA -0.140 4.320 4.460 0.001 0.000 0.277 292 C C 2.466 177.205 174.990 -0.420 0.000 1.275 292 C CA 0.487 59.150 59.018 -0.593 0.000 1.727 292 C CB -0.969 26.201 27.740 -0.949 0.000 2.010 292 C HN 0.510 nan 8.230 nan 0.000 0.486 293 D N 1.035 121.242 120.400 -0.322 0.000 2.123 293 D HA -0.107 4.534 4.640 0.001 0.000 0.196 293 D C 2.298 178.536 176.300 -0.103 0.000 0.992 293 D CA 1.777 55.678 54.000 -0.166 0.000 0.833 293 D CB -0.439 40.290 40.800 -0.120 0.000 0.954 293 D HN 0.492 nan 8.370 nan 0.000 0.455 294 A N 0.868 123.597 122.820 -0.151 0.000 1.933 294 A HA -0.062 4.259 4.320 0.001 0.000 0.218 294 A C 2.303 179.967 177.584 0.133 0.000 1.175 294 A CA 2.159 54.202 52.037 0.010 0.000 0.628 294 A CB -0.572 18.408 19.000 -0.034 0.000 0.814 294 A HN 0.245 nan 8.150 nan 0.000 0.444 295 A N -0.086 122.786 122.820 0.087 0.000 1.930 295 A HA -0.009 4.312 4.320 0.001 0.000 0.217 295 A C 2.003 179.617 177.584 0.050 0.000 1.175 295 A CA 1.498 53.616 52.037 0.135 0.000 0.627 295 A CB -0.406 18.643 19.000 0.082 0.000 0.815 295 A HN 0.413 nan 8.150 nan 0.000 0.443 296 I N 0.805 121.385 120.570 0.016 0.000 2.163 296 I HA -0.274 3.896 4.170 0.001 0.000 0.240 296 I C 2.794 178.938 176.117 0.046 0.000 1.081 296 I CA 1.924 63.244 61.300 0.033 0.000 1.353 296 I CB -1.676 36.344 38.000 0.032 0.000 1.054 296 I HN 0.704 nan 8.210 nan 0.000 0.407 297 Q N 0.918 120.743 119.800 0.043 0.000 2.291 297 Q HA -0.205 4.135 4.340 0.001 0.000 0.206 297 Q C 2.163 178.199 176.000 0.059 0.000 0.976 297 Q CA 1.395 57.226 55.803 0.048 0.000 0.875 297 Q CB -0.570 28.193 28.738 0.041 0.000 0.927 297 Q HN 0.443 nan 8.270 nan 0.000 0.450 298 L N -0.171 121.093 121.223 0.069 0.000 2.049 298 L HA 0.008 4.349 4.340 0.001 0.000 0.203 298 L C 2.137 179.073 176.870 0.111 0.000 1.074 298 L CA 1.499 56.382 54.840 0.071 0.000 0.749 298 L CB -0.283 41.802 42.059 0.044 0.000 0.907 298 L HN 0.180 nan 8.230 nan 0.000 0.439 299 M N -0.465 119.188 119.600 0.088 0.000 2.200 299 M HA -0.129 4.352 4.480 0.001 0.000 0.265 299 M C 2.247 178.641 176.300 0.158 0.000 1.066 299 M CA 1.429 56.800 55.300 0.119 0.000 1.127 299 M CB -1.128 31.489 32.600 0.030 0.000 1.379 299 M HN 0.447 nan 8.290 nan 0.000 0.420 300 E N 0.258 120.524 120.200 0.110 0.000 2.106 300 E HA -0.215 4.135 4.350 0.001 0.000 0.192 300 E C 1.778 178.440 176.600 0.104 0.000 0.984 300 E CA 1.179 57.639 56.400 0.100 0.000 0.806 300 E CB 0.042 29.784 29.700 0.070 0.000 0.750 300 E HN 0.436 nan 8.360 nan 0.000 0.458 301 N N 0.470 119.229 118.700 0.098 0.000 2.104 301 N HA -0.178 4.562 4.740 0.001 0.000 0.190 301 N C 1.529 177.102 175.510 0.106 0.000 1.024 301 N CA 1.841 54.942 53.050 0.085 0.000 0.853 301 N CB -0.063 38.465 38.487 0.069 0.000 1.008 301 N HN 0.300 nan 8.380 nan 0.000 0.424 302 I N -2.697 117.972 120.570 0.164 0.000 3.904 302 I HA 0.308 4.478 4.170 0.001 0.000 0.333 302 I C -0.395 175.906 176.117 0.306 0.000 1.361 302 I CA -0.283 61.139 61.300 0.204 0.000 1.116 302 I CB -0.432 37.707 38.000 0.232 0.000 1.028 302 I HN -0.098 nan 8.210 nan 0.000 0.398 303 K N 1.511 122.056 120.400 0.240 0.000 4.007 303 K HA -0.286 4.035 4.320 0.001 0.000 0.279 303 K C -0.471 176.292 176.600 0.272 0.000 0.919 303 K CA 0.478 56.897 56.287 0.220 0.000 0.800 303 K CB -1.566 31.035 32.500 0.169 0.000 1.572 303 K HN 0.588 nan 8.250 nan 0.000 0.443 304 Y N 0.383 120.724 120.300 0.068 0.000 2.511 304 Y HA 0.126 4.676 4.550 0.001 0.000 0.332 304 Y C 0.493 176.255 175.900 -0.230 0.000 1.177 304 Y CA -0.169 57.783 58.100 -0.247 0.000 1.422 304 Y CB 0.715 39.083 38.460 -0.155 0.000 1.271 304 Y HN 0.073 nan 8.280 nan 0.000 0.550 305 V N 7.270 126.615 119.914 -0.949 0.000 2.483 305 V HA 0.278 4.399 4.120 0.001 0.000 0.295 305 V C 0.245 175.947 176.094 -0.655 0.000 1.035 305 V CA -0.970 60.958 62.300 -0.620 0.000 0.896 305 V CB 1.195 32.591 31.823 -0.712 0.000 0.986 305 V HN 1.125 nan 8.190 nan 0.000 0.447 306 N N 1.457 120.008 118.700 -0.248 0.000 5.833 306 N HA -0.180 4.560 4.740 0.001 0.000 0.357 306 N C -0.236 175.337 175.510 0.105 0.000 0.922 306 N CA 0.832 53.821 53.050 -0.101 0.000 1.099 306 N CB -0.459 37.938 38.487 -0.150 0.000 0.862 306 N HN 1.103 nan 8.380 nan 0.000 0.427 307 A N 0.033 122.932 122.820 0.132 0.000 2.328 307 A HA 0.673 4.994 4.320 0.001 0.000 0.284 307 A C 0.661 178.427 177.584 0.303 0.000 1.160 307 A CA 0.742 52.893 52.037 0.190 0.000 0.818 307 A CB 0.669 19.727 19.000 0.097 0.000 1.087 307 A HN 0.977 nan 8.150 nan 0.000 0.504 308 G N 0.199 109.083 108.800 0.140 0.000 2.704 308 G HA2 0.599 4.559 3.960 0.001 0.000 0.293 308 G HA3 0.599 4.559 3.960 0.001 0.000 0.293 308 G C -1.026 173.764 174.900 -0.184 0.000 1.421 308 G CA -0.406 44.622 45.100 -0.119 0.000 0.870 308 G HN 0.733 nan 8.290 nan 0.000 0.492 309 T N 0.240 114.678 114.554 -0.194 0.000 2.824 309 T HA 0.557 4.908 4.350 0.001 0.000 0.282 309 T C -0.439 174.118 174.700 -0.238 0.000 0.993 309 T CA -0.417 61.593 62.100 -0.150 0.000 0.967 309 T CB 1.842 70.673 68.868 -0.063 0.000 0.960 309 T HN 0.456 nan 8.240 nan 0.000 0.441 310 V N 3.648 123.435 119.914 -0.213 0.000 2.347 310 V HA 0.335 4.455 4.120 0.001 0.000 0.280 310 V C 0.201 176.058 176.094 -0.396 0.000 1.021 310 V CA -0.819 61.295 62.300 -0.310 0.000 0.847 310 V CB 1.072 32.769 31.823 -0.211 0.000 0.990 310 V HN 0.835 nan 8.190 nan 0.000 0.444 311 E N 4.405 124.266 120.200 -0.565 0.000 2.216 311 E HA 0.618 4.968 4.350 0.001 0.000 0.279 311 E C -1.353 174.737 176.600 -0.849 0.000 0.997 311 E CA -0.267 55.817 56.400 -0.528 0.000 0.817 311 E CB 1.800 31.320 29.700 -0.301 0.000 1.096 311 E HN 0.511 nan 8.360 nan 0.000 0.393 312 F N 1.107 120.826 119.950 -0.385 0.000 2.611 312 F HA 0.426 4.954 4.527 0.001 0.000 0.324 312 F C -0.526 175.120 175.800 -0.256 0.000 1.061 312 F CA -1.137 56.732 58.000 -0.218 0.000 0.954 312 F CB 1.158 40.107 39.000 -0.085 0.000 1.301 312 F HN 0.208 nan 8.300 nan 0.000 0.482 313 L N 1.727 123.065 121.223 0.191 0.000 2.346 313 L HA 0.718 5.058 4.340 0.001 0.000 0.274 313 L C -0.916 176.108 176.870 0.257 0.000 1.007 313 L CA -0.727 54.212 54.840 0.166 0.000 0.818 313 L CB 1.993 44.151 42.059 0.165 0.000 1.284 313 L HN 0.288 nan 8.230 nan 0.000 0.424 314 V N 2.312 122.328 119.914 0.170 0.000 2.444 314 V HA 0.711 4.831 4.120 0.001 0.000 0.294 314 V C -0.132 176.040 176.094 0.130 0.000 1.022 314 V CA -0.328 62.059 62.300 0.144 0.000 0.850 314 V CB 1.528 33.389 31.823 0.062 0.000 0.992 314 V HN 0.820 nan 8.190 nan 0.000 0.426 318 D N 0.672 121.073 120.400 0.001 0.000 2.469 318 D HA 0.302 4.943 4.640 0.001 0.000 0.215 318 D C 0.078 176.357 176.300 -0.035 0.000 1.154 318 D CA 0.065 54.058 54.000 -0.011 0.000 0.832 318 D CB 0.621 41.411 40.800 -0.016 0.000 1.008 318 D HN 0.299 nan 8.370 nan 0.000 0.506 319 E N 0.071 120.225 120.200 -0.078 0.000 2.191 319 E HA 0.385 4.735 4.350 0.001 0.000 0.274 319 E C -0.787 175.629 176.600 -0.307 0.000 0.948 319 E CA -0.887 55.340 56.400 -0.288 0.000 0.802 319 E CB 1.598 31.069 29.700 -0.383 0.000 1.137 319 E HN 0.115 nan 8.360 nan 0.000 0.397 320 F N 0.141 119.784 119.950 -0.512 0.000 2.522 320 F HA 0.698 5.226 4.527 0.001 0.000 0.324 320 F C -1.137 174.344 175.800 -0.532 0.000 1.077 320 F CA -1.194 56.572 58.000 -0.390 0.000 0.944 320 F CB 0.765 39.567 39.000 -0.330 0.000 1.175 320 F HN 0.185 nan 8.300 nan 0.000 0.468 321 F N 3.248 123.372 119.950 0.290 0.000 2.518 321 F HA 0.385 4.912 4.527 0.001 0.000 0.323 321 F C -0.433 175.634 175.800 0.444 0.000 1.129 321 F CA -1.119 57.043 58.000 0.269 0.000 0.920 321 F CB 1.604 40.678 39.000 0.124 0.000 1.160 321 F HN 0.620 nan 8.300 nan 0.000 0.440 322 F N 4.865 125.106 119.950 0.486 0.000 2.572 322 F HA 0.176 4.703 4.527 0.001 0.000 0.370 322 F C 0.618 176.453 175.800 0.058 0.000 1.103 322 F CA 0.373 58.451 58.000 0.131 0.000 1.286 322 F CB 0.513 39.559 39.000 0.076 0.000 1.105 322 F HN 0.518 nan 8.300 nan 0.000 0.583 323 I N 2.400 122.421 120.570 -0.914 0.000 4.398 323 I HA 0.266 4.436 4.170 0.001 0.000 0.310 323 I C -0.380 175.315 176.117 -0.703 0.000 1.232 323 I CA 0.575 61.556 61.300 -0.533 0.000 1.312 323 I CB 0.349 38.215 38.000 -0.225 0.000 1.347 323 I HN 0.713 nan 8.210 nan 0.000 0.454 324 E N -0.028 119.494 120.200 -1.130 0.000 2.409 324 E HA 0.351 4.702 4.350 0.001 0.000 0.280 324 E C -1.831 174.411 176.600 -0.597 0.000 1.079 324 E CA -0.409 55.607 56.400 -0.640 0.000 0.840 324 E CB 2.879 32.425 29.700 -0.258 0.000 1.309 324 E HN -0.158 nan 8.360 nan 0.000 0.447 325 V N 2.729 122.488 119.914 -0.258 0.000 2.540 325 V HA 0.405 4.525 4.120 0.001 0.000 0.302 325 V C -0.799 175.182 176.094 -0.189 0.000 1.035 325 V CA -0.930 61.173 62.300 -0.328 0.000 0.873 325 V CB 1.824 33.201 31.823 -0.744 0.000 0.992 325 V HN 0.481 nan 8.190 nan 0.000 0.428 326 N N 6.399 124.998 118.700 -0.169 0.000 2.527 326 N HA 0.338 5.079 4.740 0.001 0.000 0.236 326 N C -2.426 173.070 175.510 -0.023 0.000 0.999 326 N CA -1.562 51.457 53.050 -0.052 0.000 0.935 326 N CB 1.870 40.341 38.487 -0.027 0.000 1.132 326 N HN 0.401 nan 8.380 nan 0.000 0.511 327 P HA 0.114 nan 4.420 nan 0.000 0.226 327 P C -0.557 176.914 177.300 0.285 0.000 1.758 327 P CA 0.085 63.330 63.100 0.242 0.000 0.896 327 P CB -0.078 31.861 31.700 0.399 0.000 1.784 328 R N -2.175 118.440 120.500 0.192 0.000 2.764 328 R HA 0.502 4.842 4.340 0.001 0.000 0.276 328 R C -0.792 175.589 176.300 0.136 0.000 1.021 328 R CA -1.095 55.112 56.100 0.178 0.000 0.870 328 R CB -0.016 30.408 30.300 0.207 0.000 1.293 328 R HN -0.199 nan 8.270 nan 0.000 0.469 329 V N -0.455 119.545 119.914 0.143 0.000 3.051 329 V HA 0.279 4.400 4.120 0.001 0.000 0.306 329 V C 0.008 176.187 176.094 0.142 0.000 1.083 329 V CA -0.461 61.909 62.300 0.117 0.000 1.104 329 V CB 0.673 32.533 31.823 0.062 0.000 1.027 329 V HN 0.621 nan 8.190 nan 0.000 0.483 330 Q N 0.773 120.635 119.800 0.104 0.000 2.359 330 Q HA 0.475 4.815 4.340 0.001 0.000 0.275 330 Q C 0.918 176.918 176.000 0.001 0.000 1.082 330 Q CA -0.899 54.901 55.803 -0.005 0.000 0.849 330 Q CB 2.197 30.937 28.738 0.004 0.000 1.377 330 Q HN 0.532 nan 8.270 nan 0.000 0.452 331 V N 0.698 120.401 119.914 -0.352 0.000 2.332 331 V HA -0.256 3.864 4.120 0.001 0.000 0.248 331 V C 1.609 177.708 176.094 0.008 0.000 1.055 331 V CA 2.163 64.315 62.300 -0.247 0.000 1.038 331 V CB -0.670 30.953 31.823 -0.333 0.000 0.651 331 V HN 0.836 nan 8.190 nan 0.000 0.450 332 E N 1.446 121.640 120.200 -0.010 0.000 2.368 332 E HA -0.112 4.239 4.350 0.001 0.000 0.188 332 E C 1.618 178.215 176.600 -0.005 0.000 1.061 332 E CA 0.188 56.578 56.400 -0.017 0.000 0.933 332 E CB -0.796 28.908 29.700 0.007 0.000 1.091 332 E HN 0.895 nan 8.360 nan 0.000 0.458 333 H N 1.369 120.453 119.070 0.023 0.000 2.387 333 H HA -0.124 4.433 4.556 0.001 0.000 0.299 333 H C 1.643 176.992 175.328 0.035 0.000 1.090 333 H CA 1.916 57.988 56.048 0.040 0.000 1.332 333 H CB -0.911 28.887 29.762 0.060 0.000 1.386 333 H HN 0.257 nan 8.280 nan 0.000 0.516 334 T N -0.073 114.048 114.554 -0.722 0.000 2.699 334 T HA -0.185 4.165 4.350 0.001 0.000 0.268 334 T C 2.141 176.740 174.700 -0.168 0.000 1.036 334 T CA 1.325 63.171 62.100 -0.424 0.000 1.147 334 T CB -0.756 67.887 68.868 -0.375 0.000 0.862 334 T HN 0.184 nan 8.240 nan 0.000 0.446 335 I N 2.181 122.683 120.570 -0.114 0.000 2.264 335 I HA -0.125 4.045 4.170 0.001 0.000 0.248 335 I C 2.654 178.748 176.117 -0.038 0.000 1.111 335 I CA 1.364 62.638 61.300 -0.044 0.000 1.382 335 I CB -0.829 37.179 38.000 0.014 0.000 1.060 335 I HN 0.338 nan 8.210 nan 0.000 0.418 336 T N -0.257 114.292 114.554 -0.009 0.000 2.812 336 T HA -0.111 4.239 4.350 0.001 0.000 0.264 336 T C 1.728 176.421 174.700 -0.012 0.000 1.042 336 T CA 1.191 63.301 62.100 0.018 0.000 1.140 336 T CB -0.176 68.736 68.868 0.074 0.000 0.870 336 T HN 0.426 nan 8.240 nan 0.000 0.445 337 E N 1.092 121.284 120.200 -0.013 0.000 2.118 337 E HA -0.116 4.235 4.350 0.001 0.000 0.195 337 E C 2.208 178.753 176.600 -0.091 0.000 0.992 337 E CA 1.095 57.485 56.400 -0.016 0.000 0.804 337 E CB -0.244 29.463 29.700 0.012 0.000 0.741 337 E HN 0.502 nan 8.360 nan 0.000 0.458 338 M N 0.531 120.026 119.600 -0.174 0.000 2.132 338 M HA -0.129 4.351 4.480 0.001 0.000 0.263 338 M C 2.672 178.644 176.300 -0.546 0.000 1.065 338 M CA 1.255 56.331 55.300 -0.373 0.000 1.122 338 M CB -0.341 31.995 32.600 -0.440 0.000 1.365 338 M HN 0.143 nan 8.290 nan 0.000 0.411 339 V N -2.582 117.111 119.914 -0.368 0.000 2.649 339 V HA -0.069 4.051 4.120 0.001 0.000 0.248 339 V C 2.151 178.158 176.094 -0.144 0.000 1.054 339 V CA 1.800 63.947 62.300 -0.255 0.000 1.073 339 V CB -1.617 30.096 31.823 -0.185 0.000 0.699 339 V HN 0.551 nan 8.190 nan 0.000 0.463 340 T N -2.993 111.509 114.554 -0.086 0.000 3.057 340 T HA 0.366 4.716 4.350 0.001 0.000 0.254 340 T C 1.709 176.405 174.700 -0.008 0.000 1.094 340 T CA 0.800 62.890 62.100 -0.016 0.000 1.088 340 T CB 0.122 69.028 68.868 0.062 0.000 0.934 340 T HN 1.618 nan 8.240 nan 0.000 0.497 341 G N 1.753 110.535 108.800 -0.030 0.000 2.176 341 G HA2 -0.159 3.801 3.960 0.001 0.000 0.252 341 G HA3 -0.159 3.801 3.960 0.001 0.000 0.252 341 G C -0.148 174.759 174.900 0.011 0.000 1.024 341 G CA 0.074 45.169 45.100 -0.009 0.000 0.755 341 G HN 0.565 nan 8.290 nan 0.000 0.507 342 I N 0.644 121.225 120.570 0.018 0.000 2.418 342 I HA 0.299 4.469 4.170 0.001 0.000 0.287 342 I C -0.350 175.796 176.117 0.047 0.000 1.008 342 I CA -1.545 59.775 61.300 0.033 0.000 1.104 342 I CB 1.670 39.693 38.000 0.037 0.000 1.264 342 I HN 0.040 nan 8.210 nan 0.000 0.438 343 D N 6.843 127.273 120.400 0.049 0.000 2.383 343 D HA 0.172 4.812 4.640 0.001 0.000 0.245 343 D C 1.288 177.631 176.300 0.073 0.000 1.263 343 D CA 0.070 54.110 54.000 0.066 0.000 0.936 343 D CB 0.694 41.527 40.800 0.055 0.000 1.053 343 D HN 0.415 nan 8.370 nan 0.000 0.507 344 I N 2.852 123.483 120.570 0.102 0.000 2.179 344 I HA -0.263 3.908 4.170 0.001 0.000 0.242 344 I C 2.354 178.507 176.117 0.059 0.000 1.088 344 I CA 0.526 61.879 61.300 0.088 0.000 1.357 344 I CB 0.026 38.100 38.000 0.124 0.000 1.051 344 I HN 0.270 nan 8.210 nan 0.000 0.409 345 V N 0.933 120.874 119.914 0.045 0.000 2.295 345 V HA -0.316 3.805 4.120 0.001 0.000 0.246 345 V C 2.531 178.660 176.094 0.057 0.000 1.049 345 V CA 1.966 64.281 62.300 0.025 0.000 1.024 345 V CB -0.691 31.105 31.823 -0.045 0.000 0.648 345 V HN 0.392 nan 8.190 nan 0.000 0.447 346 K N -0.317 120.114 120.400 0.050 0.000 2.103 346 K HA -0.199 4.121 4.320 0.001 0.000 0.207 346 K C 2.176 178.803 176.600 0.044 0.000 1.048 346 K CA 1.966 58.282 56.287 0.049 0.000 0.930 346 K CB -0.275 32.252 32.500 0.045 0.000 0.716 346 K HN 0.550 nan 8.250 nan 0.000 0.444 347 T N 1.239 115.818 114.554 0.042 0.000 2.708 347 T HA -0.178 4.172 4.350 0.001 0.000 0.266 347 T C 1.759 176.475 174.700 0.026 0.000 1.037 347 T CA 1.401 63.520 62.100 0.031 0.000 1.146 347 T CB -0.210 68.677 68.868 0.032 0.000 0.865 347 T HN 0.372 nan 8.240 nan 0.000 0.435 348 Q N 0.196 120.017 119.800 0.034 0.000 2.062 348 Q HA -0.135 4.205 4.340 0.001 0.000 0.209 348 Q C 2.452 178.450 176.000 -0.003 0.000 0.996 348 Q CA 1.408 57.215 55.803 0.006 0.000 0.859 348 Q CB -0.434 28.321 28.738 0.029 0.000 0.920 348 Q HN 0.447 nan 8.270 nan 0.000 0.415 349 I N 0.675 121.272 120.570 0.045 0.000 2.118 349 I HA -0.289 3.881 4.170 0.001 0.000 0.241 349 I C 2.391 178.524 176.117 0.026 0.000 1.070 349 I CA 1.578 62.906 61.300 0.047 0.000 1.327 349 I CB -1.317 36.725 38.000 0.071 0.000 1.034 349 I HN 0.253 nan 8.210 nan 0.000 0.405 350 L N -0.089 121.149 121.223 0.026 0.000 2.093 350 L HA -0.136 4.205 4.340 0.001 0.000 0.208 350 L C 2.707 179.586 176.870 0.015 0.000 1.085 350 L CA 0.609 55.461 54.840 0.020 0.000 0.755 350 L CB -0.528 41.540 42.059 0.016 0.000 0.904 350 L HN 0.009 nan 8.230 nan 0.000 0.435 351 V N 0.156 120.076 119.914 0.010 0.000 2.287 351 V HA -0.330 3.791 4.120 0.001 0.000 0.248 351 V C 2.765 178.871 176.094 0.021 0.000 1.053 351 V CA 1.898 64.205 62.300 0.012 0.000 1.027 351 V CB -0.838 30.982 31.823 -0.004 0.000 0.646 351 V HN 0.498 nan 8.190 nan 0.000 0.447 352 A N -0.105 122.716 122.820 0.002 0.000 1.940 352 A HA -0.156 4.165 4.320 0.001 0.000 0.219 352 A C 2.391 179.994 177.584 0.033 0.000 1.176 352 A CA 2.108 54.148 52.037 0.005 0.000 0.631 352 A CB -0.753 18.230 19.000 -0.029 0.000 0.814 352 A HN 0.607 nan 8.150 nan 0.000 0.446 353 A N -2.035 120.805 122.820 0.034 0.000 2.019 353 A HA 0.321 4.641 4.320 0.001 0.000 0.219 353 A C 1.911 179.533 177.584 0.064 0.000 1.164 353 A CA 1.823 53.885 52.037 0.043 0.000 0.644 353 A CB -0.727 18.295 19.000 0.035 0.000 0.805 353 A HN 1.915 nan 8.150 nan 0.000 0.449 354 G N -3.003 105.848 108.800 0.084 0.000 2.164 354 G HA2 0.268 4.228 3.960 0.001 0.000 0.154 354 G HA3 0.268 4.228 3.960 0.001 0.000 0.154 354 G C 0.291 175.278 174.900 0.145 0.000 1.014 354 G CA 0.114 45.313 45.100 0.165 0.000 0.683 354 G HN 1.398 nan 8.290 nan 0.000 0.500 355 A N -0.063 122.771 122.820 0.024 0.000 2.425 355 A HA 0.569 4.889 4.320 0.001 0.000 0.242 355 A C 1.070 178.521 177.584 -0.222 0.000 1.077 355 A CA 0.962 52.949 52.037 -0.083 0.000 0.781 355 A CB 0.493 19.468 19.000 -0.042 0.000 1.020 355 A HN 0.266 nan 8.150 nan 0.000 0.494 356 D N 0.065 120.269 120.400 -0.327 0.000 2.397 356 D HA 0.421 5.062 4.640 0.001 0.000 0.262 356 D C 0.856 177.074 176.300 -0.136 0.000 1.323 356 D CA 1.704 55.504 54.000 -0.333 0.000 0.999 356 D CB 0.570 41.150 40.800 -0.367 0.000 0.971 356 D HN 1.201 nan 8.370 nan 0.000 0.338 357 G N 0.146 108.921 108.800 -0.042 0.000 2.343 357 G HA2 -0.133 3.828 3.960 0.001 0.000 0.562 357 G HA3 -0.133 3.828 3.960 0.001 0.000 0.562 357 G C 0.293 175.178 174.900 -0.026 0.000 1.269 357 G CA 0.110 45.184 45.100 -0.044 0.000 1.011 357 G HN 0.211 nan 8.290 nan 0.000 0.498 358 E N 0.032 120.218 120.200 -0.023 0.000 2.208 358 E HA -0.031 4.320 4.350 0.001 0.000 0.193 358 E C 2.218 178.813 176.600 -0.008 0.000 0.988 358 E CA 1.691 58.084 56.400 -0.011 0.000 0.828 358 E CB 0.147 29.843 29.700 -0.008 0.000 0.763 358 E HN 0.576 nan 8.360 nan 0.000 0.478 359 E N 0.289 120.482 120.200 -0.012 0.000 2.075 359 E HA 0.006 4.356 4.350 0.001 0.000 0.190 359 E C 2.114 178.713 176.600 -0.001 0.000 0.969 359 E CA 0.420 56.817 56.400 -0.005 0.000 0.815 359 E CB 0.045 29.741 29.700 -0.006 0.000 0.776 359 E HN 0.123 nan 8.360 nan 0.000 0.457 360 I N 0.605 121.170 120.570 -0.009 0.000 2.353 360 I HA -0.044 4.127 4.170 0.001 0.000 0.248 360 I C -0.276 175.842 176.117 0.002 0.000 1.119 360 I CA 0.506 61.804 61.300 -0.003 0.000 1.417 360 I CB -1.411 36.582 38.000 -0.011 0.000 1.078 360 I HN 0.103 nan 8.210 nan 0.000 0.421 361 N N 1.245 119.943 118.700 -0.003 0.000 3.923 361 N HA -0.126 4.615 4.740 0.001 0.000 0.306 361 N C -2.606 172.905 175.510 0.001 0.000 2.133 361 N CA 0.341 53.392 53.050 0.000 0.000 2.838 361 N CB -0.720 37.770 38.487 0.006 0.000 0.433 361 N HN 0.282 nan 8.380 nan 0.000 0.727 362 P HA 0.445 nan 4.420 nan 0.000 0.312 362 P C -1.179 176.109 177.300 -0.021 0.000 1.326 362 P CA -0.830 62.264 63.100 -0.009 0.000 1.203 362 P CB 1.188 32.887 31.700 -0.002 0.000 1.832 363 Q N 0.138 119.926 119.800 -0.020 0.000 2.417 363 Q HA 0.074 4.415 4.340 0.001 0.000 0.241 363 Q C 1.249 177.221 176.000 -0.048 0.000 1.008 363 Q CA 0.280 56.065 55.803 -0.029 0.000 0.901 363 Q CB 0.593 29.320 28.738 -0.018 0.000 1.259 363 Q HN 0.275 nan 8.270 nan 0.000 0.489 364 Q N 1.799 121.556 119.800 -0.071 0.000 2.152 364 Q HA -0.259 4.082 4.340 0.001 0.000 0.206 364 Q C 1.351 177.301 176.000 -0.083 0.000 0.985 364 Q CA 2.188 57.916 55.803 -0.125 0.000 0.863 364 Q CB -0.060 28.601 28.738 -0.127 0.000 0.904 364 Q HN 0.636 nan 8.270 nan 0.000 0.422 365 K N -0.296 120.082 120.400 -0.036 0.000 2.074 365 K HA -0.189 4.131 4.320 0.001 0.000 0.209 365 K C 0.646 177.253 176.600 0.012 0.000 1.048 365 K CA 1.752 58.035 56.287 -0.006 0.000 0.926 365 K CB -0.078 32.421 32.500 -0.002 0.000 0.713 365 K HN 0.335 nan 8.250 nan 0.000 0.444 366 D N 0.197 120.600 120.400 0.004 0.000 2.349 366 D HA 0.045 4.685 4.640 0.001 0.000 0.215 366 D C 0.420 176.741 176.300 0.035 0.000 1.016 366 D CA 0.309 54.320 54.000 0.017 0.000 0.870 366 D CB 0.186 40.990 40.800 0.008 0.000 0.917 366 D HN 0.227 nan 8.370 nan 0.000 0.524 367 I N 1.965 122.556 120.570 0.035 0.000 2.379 367 I HA 0.064 4.235 4.170 0.001 0.000 0.290 367 I C 0.686 176.982 176.117 0.298 0.000 1.063 367 I CA 0.203 61.557 61.300 0.091 0.000 1.351 367 I CB 0.733 38.721 38.000 -0.020 0.000 1.410 367 I HN -0.139 nan 8.210 nan 0.000 0.505 368 T N 0.786 115.479 114.554 0.231 0.000 2.804 368 T HA 0.629 4.980 4.350 0.001 0.000 0.290 368 T C -0.259 174.303 174.700 -0.231 0.000 1.099 368 T CA -0.908 61.224 62.100 0.053 0.000 1.011 368 T CB 1.795 70.644 68.868 -0.031 0.000 1.291 368 T HN 0.489 nan 8.240 nan 0.000 0.523 369 T N -0.208 114.018 114.554 -0.547 0.000 2.797 369 T HA 0.641 4.992 4.350 0.001 0.000 0.279 369 T C -0.756 173.774 174.700 -0.283 0.000 0.991 369 T CA -0.856 60.978 62.100 -0.445 0.000 0.979 369 T CB 1.052 69.542 68.868 -0.631 0.000 0.943 369 T HN 0.704 nan 8.240 nan 0.000 0.444 370 L N 4.293 125.422 121.223 -0.157 0.000 2.272 370 L HA 0.686 5.027 4.340 0.001 0.000 0.289 370 L C 0.803 177.681 176.870 0.013 0.000 1.032 370 L CA 1.332 56.137 54.840 -0.058 0.000 0.810 370 L CB 0.125 42.205 42.059 0.035 0.000 1.205 370 L HN 1.308 nan 8.230 nan 0.000 0.422 371 G N 3.133 111.885 108.800 -0.081 0.000 2.564 371 G HA2 -0.306 3.654 3.960 0.001 0.000 0.273 371 G HA3 -0.306 3.654 3.960 0.001 0.000 0.273 371 G C -0.868 173.869 174.900 -0.272 0.000 1.242 371 G CA 0.527 45.597 45.100 -0.049 0.000 0.951 371 G HN 0.731 nan 8.290 nan 0.000 0.564 372 Y N -0.220 120.192 120.300 0.187 0.000 2.553 372 Y HA 0.680 5.230 4.550 0.001 0.000 0.347 372 Y C 0.560 176.638 175.900 0.298 0.000 1.019 372 Y CA -0.069 58.152 58.100 0.202 0.000 1.032 372 Y CB 2.343 40.939 38.460 0.227 0.000 1.284 372 Y HN 1.287 nan 8.280 nan 0.000 0.466 373 A N 2.711 125.756 122.820 0.375 0.000 2.422 373 A HA 0.881 5.201 4.320 0.001 0.000 0.302 373 A C -1.533 176.201 177.584 0.250 0.000 1.041 373 A CA -0.568 51.627 52.037 0.265 0.000 0.708 373 A CB 0.922 19.982 19.000 0.100 0.000 1.257 373 A HN 0.667 nan 8.150 nan 0.000 0.414 374 I N 0.959 121.656 120.570 0.211 0.000 2.646 374 I HA 0.528 4.698 4.170 0.001 0.000 0.299 374 I C -0.106 176.087 176.117 0.126 0.000 1.036 374 I CA -0.458 60.975 61.300 0.223 0.000 1.074 374 I CB 2.229 40.389 38.000 0.267 0.000 1.258 374 I HN 0.749 nan 8.210 nan 0.000 0.430 375 Q N 4.424 124.291 119.800 0.111 0.000 2.397 375 Q HA 0.741 5.082 4.340 0.001 0.000 0.275 375 Q C -1.678 174.346 176.000 0.041 0.000 1.090 375 Q CA -0.647 55.190 55.803 0.056 0.000 0.809 375 Q CB 2.935 31.693 28.738 0.033 0.000 1.362 375 Q HN 0.935 nan 8.270 nan 0.000 0.431 376 C N 0.778 120.092 119.300 0.023 0.000 3.082 376 C HA 0.774 5.234 4.460 0.001 0.000 0.324 376 C C -1.230 173.780 174.990 0.034 0.000 1.210 376 C CA -1.109 57.920 59.018 0.018 0.000 1.366 376 C CB 1.478 29.212 27.740 -0.010 0.000 1.756 376 C HN 0.889 nan 8.230 nan 0.000 0.485 377 R N 1.409 121.938 120.500 0.048 0.000 2.297 377 R HA 0.707 5.047 4.340 0.001 0.000 0.308 377 R C -0.758 175.584 176.300 0.071 0.000 1.029 377 R CA -0.479 55.659 56.100 0.063 0.000 0.929 377 R CB 0.563 30.905 30.300 0.069 0.000 1.046 377 R HN 0.729 nan 8.270 nan 0.000 0.461 378 I N 2.798 123.411 120.570 0.072 0.000 2.301 378 I HA 0.212 4.383 4.170 0.001 0.000 0.292 378 I C 0.512 176.673 176.117 0.073 0.000 1.046 378 I CA 0.232 61.574 61.300 0.070 0.000 1.282 378 I CB 0.952 38.995 38.000 0.072 0.000 1.409 378 I HN 0.691 nan 8.210 nan 0.000 0.484 379 T N -0.104 114.487 114.554 0.062 0.000 2.883 379 T HA 0.401 4.751 4.350 0.001 0.000 0.284 379 T C 0.787 175.501 174.700 0.023 0.000 1.041 379 T CA -0.330 61.803 62.100 0.055 0.000 1.007 379 T CB 1.382 70.291 68.868 0.069 0.000 1.220 379 T HN 0.509 nan 8.240 nan 0.000 0.552 380 T N -1.500 113.064 114.554 0.017 0.000 3.278 380 T HA 0.182 4.533 4.350 0.001 0.000 0.251 380 T C 0.188 174.862 174.700 -0.043 0.000 1.039 380 T CA -0.550 61.545 62.100 -0.009 0.000 0.935 380 T CB -0.513 68.356 68.868 0.001 0.000 1.034 380 T HN 0.559 nan 8.240 nan 0.000 0.575 381 E N 2.120 122.280 120.200 -0.067 0.000 2.415 381 E HA 0.100 4.450 4.350 0.001 0.000 0.262 381 E C -0.697 175.747 176.600 -0.259 0.000 1.038 381 E CA 0.001 56.309 56.400 -0.153 0.000 0.921 381 E CB 0.636 30.213 29.700 -0.205 0.000 0.950 381 E HN 0.365 nan 8.360 nan 0.000 0.438 382 D N 2.678 122.915 120.400 -0.272 0.000 2.473 382 D HA 0.198 4.839 4.640 0.001 0.000 0.226 382 D C -2.026 174.031 176.300 -0.405 0.000 1.089 382 D CA -2.406 51.438 54.000 -0.260 0.000 0.883 382 D CB 1.076 41.794 40.800 -0.136 0.000 1.029 382 D HN -0.012 nan 8.370 nan 0.000 0.517 383 P HA 0.008 nan 4.420 nan 0.000 0.236 383 P C 0.679 177.905 177.300 -0.123 0.000 1.172 383 P CA 0.671 63.390 63.100 -0.635 0.000 0.759 383 P CB 0.152 31.558 31.700 -0.489 0.000 0.843 384 L N -2.184 118.981 121.223 -0.097 0.000 2.728 384 L HA 0.267 4.607 4.340 0.001 0.000 0.238 384 L C 0.592 177.439 176.870 -0.038 0.000 1.143 384 L CA 0.164 54.989 54.840 -0.026 0.000 0.937 384 L CB -0.144 41.901 42.059 -0.024 0.000 1.225 384 L HN -0.109 nan 8.230 nan 0.000 0.507 385 N N 0.280 118.955 118.700 -0.043 0.000 2.732 385 N HA 0.070 4.811 4.740 0.001 0.000 0.235 385 N C -0.493 175.022 175.510 0.009 0.000 1.466 385 N CA -0.099 52.934 53.050 -0.029 0.000 0.751 385 N CB 0.165 38.628 38.487 -0.039 0.000 1.317 385 N HN -0.040 nan 8.380 nan 0.000 0.525 386 D N 1.483 121.910 120.400 0.045 0.000 2.860 386 D HA -0.273 4.367 4.640 0.001 0.000 0.229 386 D C -0.775 175.660 176.300 0.224 0.000 1.169 386 D CA 1.148 55.200 54.000 0.086 0.000 0.737 386 D CB -0.978 39.824 40.800 0.003 0.000 1.080 386 D HN 0.714 nan 8.370 nan 0.000 0.424 387 F N -2.200 117.692 119.950 -0.097 0.000 2.803 387 F HA -0.286 4.242 4.527 0.001 0.000 0.323 387 F C 0.948 176.705 175.800 -0.072 0.000 1.033 387 F CA 0.055 57.997 58.000 -0.096 0.000 1.066 387 F CB -0.821 38.110 39.000 -0.115 0.000 1.283 387 F HN 0.070 nan 8.300 nan 0.000 0.816 388 M N 2.455 122.064 119.600 0.014 0.000 2.143 388 M HA 0.211 4.692 4.480 0.001 0.000 0.348 388 M C -2.102 174.182 176.300 -0.026 0.000 1.375 388 M CA -1.320 53.976 55.300 -0.008 0.000 1.124 388 M CB 0.598 33.183 32.600 -0.026 0.000 1.669 388 M HN -0.146 nan 8.290 nan 0.000 0.469 389 P HA 0.053 nan 4.420 nan 0.000 0.269 389 P C -0.605 176.682 177.300 -0.021 0.000 1.263 389 P CA -0.060 63.034 63.100 -0.010 0.000 0.813 389 P CB 0.076 31.779 31.700 0.004 0.000 0.868 390 D N 2.714 123.098 120.400 -0.026 0.000 2.339 390 D HA 0.300 4.941 4.640 0.001 0.000 0.245 390 D C -0.166 176.127 176.300 -0.012 0.000 1.115 390 D CA 0.211 54.196 54.000 -0.024 0.000 0.917 390 D CB 0.625 41.407 40.800 -0.031 0.000 1.192 390 D HN 0.268 nan 8.370 nan 0.000 0.428 391 T N -0.539 114.009 114.554 -0.010 0.000 2.900 391 T HA 0.833 5.184 4.350 0.001 0.000 0.295 391 T C 0.151 174.852 174.700 0.001 0.000 1.044 391 T CA -0.382 61.718 62.100 0.001 0.000 0.995 391 T CB 1.777 70.648 68.868 0.004 0.000 1.072 391 T HN 0.591 nan 8.240 nan 0.000 0.473 392 G N 0.678 109.480 108.800 0.004 0.000 2.344 392 G HA2 0.459 4.420 3.960 0.001 0.000 0.282 392 G HA3 0.459 4.420 3.960 0.001 0.000 0.282 392 G C -1.314 173.584 174.900 -0.003 0.000 1.281 392 G CA -0.721 44.382 45.100 0.006 0.000 0.877 392 G HN 0.857 nan 8.290 nan 0.000 0.494 393 T N 1.349 115.909 114.554 0.009 0.000 2.749 393 T HA 0.559 4.909 4.350 0.001 0.000 0.287 393 T C 0.487 175.184 174.700 -0.005 0.000 0.970 393 T CA -0.115 61.988 62.100 0.005 0.000 0.980 393 T CB 0.988 69.890 68.868 0.057 0.000 0.924 393 T HN 0.465 nan 8.240 nan 0.000 0.456 394 I N 4.452 124.977 120.570 -0.074 0.000 2.471 394 I HA 0.162 4.332 4.170 0.001 0.000 0.286 394 I C 1.445 177.542 176.117 -0.034 0.000 1.079 394 I CA -0.064 61.192 61.300 -0.073 0.000 1.398 394 I CB 0.779 38.686 38.000 -0.154 0.000 1.403 394 I HN 0.740 nan 8.210 nan 0.000 0.530 395 I N 3.262 123.824 120.570 -0.015 0.000 3.790 395 I HA 0.477 4.647 4.170 0.001 0.000 0.305 395 I C 0.740 176.844 176.117 -0.022 0.000 1.253 395 I CA 0.092 61.370 61.300 -0.037 0.000 1.355 395 I CB 0.459 38.375 38.000 -0.139 0.000 1.137 395 I HN 0.462 nan 8.210 nan 0.000 0.435 396 A N 0.551 123.379 122.820 0.013 0.000 2.402 396 A HA 0.627 4.947 4.320 0.001 0.000 0.291 396 A C -1.847 175.808 177.584 0.117 0.000 1.051 396 A CA -0.296 51.769 52.037 0.048 0.000 0.716 396 A CB 0.648 19.651 19.000 0.005 0.000 1.223 396 A HN 0.347 nan 8.150 nan 0.000 0.425 397 Y N 2.285 122.592 120.300 0.012 0.000 2.364 397 Y HA 0.773 5.324 4.550 0.001 0.000 0.340 397 Y C -0.234 175.687 175.900 0.036 0.000 0.975 397 Y CA -0.736 57.381 58.100 0.029 0.000 1.089 397 Y CB 1.556 40.053 38.460 0.062 0.000 1.192 397 Y HN 0.756 nan 8.280 nan 0.000 0.454 398 R N 3.737 123.866 120.500 -0.618 0.000 2.585 398 R HA 0.387 4.728 4.340 0.001 0.000 0.288 398 R C -1.633 174.347 176.300 -0.532 0.000 1.194 398 R CA -0.171 55.640 56.100 -0.480 0.000 1.006 398 R CB 0.789 30.971 30.300 -0.195 0.000 1.229 398 R HN 0.756 nan 8.270 nan 0.000 0.412 399 S N 1.508 116.898 115.700 -0.515 0.000 2.718 399 S HA 0.754 5.224 4.470 0.001 0.000 0.292 399 S C -0.612 173.909 174.600 -0.131 0.000 1.125 399 S CA -0.522 57.514 58.200 -0.274 0.000 1.013 399 S CB 1.651 64.746 63.200 -0.176 0.000 1.192 399 S HN 0.596 nan 8.310 nan 0.000 0.535 400 S N -0.564 115.096 115.700 -0.068 0.000 2.720 400 S HA 0.613 5.084 4.470 0.001 0.000 0.278 400 S C 0.321 174.915 174.600 -0.011 0.000 1.172 400 S CA -0.263 57.915 58.200 -0.036 0.000 1.019 400 S CB 0.536 63.715 63.200 -0.037 0.000 1.049 400 S HN 1.139 nan 8.310 nan 0.000 0.483 401 G N 2.740 111.541 108.800 0.003 0.000 3.048 401 G HA2 0.640 4.600 3.960 0.001 0.000 0.151 401 G HA3 0.640 4.600 3.960 0.001 0.000 0.151 401 G C 0.788 175.700 174.900 0.019 0.000 1.803 401 G CA 0.043 45.153 45.100 0.017 0.000 1.047 401 G HN 1.931 nan 8.290 nan 0.000 0.513 402 G N -2.056 106.769 108.800 0.041 0.000 2.690 402 G HA2 0.227 4.187 3.960 0.001 0.000 0.686 402 G HA3 0.227 4.187 3.960 0.001 0.000 0.686 402 G C -0.191 174.762 174.900 0.089 0.000 1.277 402 G CA -0.174 44.968 45.100 0.071 0.000 0.799 402 G HN 1.465 nan 8.290 nan 0.000 0.613 403 F N 1.954 121.910 119.950 0.010 0.000 2.623 403 F HA 0.363 4.891 4.527 0.001 0.000 0.383 403 F C 1.612 177.419 175.800 0.013 0.000 1.077 403 F CA 1.921 59.928 58.000 0.012 0.000 1.268 403 F CB 0.505 39.506 39.000 0.001 0.000 1.053 403 F HN 2.363 nan 8.300 nan 0.000 0.571 404 G N 3.529 111.840 108.800 -0.815 0.000 2.199 404 G HA2 -0.227 3.733 3.960 0.001 0.000 0.254 404 G HA3 -0.227 3.733 3.960 0.001 0.000 0.254 404 G C -0.292 174.444 174.900 -0.274 0.000 0.982 404 G CA 0.001 44.639 45.100 -0.770 0.000 0.632 404 G HN 0.853 nan 8.290 nan 0.000 0.529 405 V N 0.634 120.452 119.914 -0.161 0.000 2.539 405 V HA 0.851 4.972 4.120 0.001 0.000 0.292 405 V C 0.400 176.478 176.094 -0.027 0.000 1.045 405 V CA -0.646 61.614 62.300 -0.067 0.000 0.945 405 V CB 1.736 33.535 31.823 -0.040 0.000 0.993 405 V HN 0.475 nan 8.190 nan 0.000 0.464 406 R N 3.992 124.487 120.500 -0.009 0.000 2.510 406 R HA 0.599 4.939 4.340 0.001 0.000 0.294 406 R C -1.877 174.435 176.300 0.020 0.000 1.056 406 R CA -0.527 55.577 56.100 0.007 0.000 0.918 406 R CB 0.868 31.167 30.300 -0.003 0.000 1.187 406 R HN 0.662 nan 8.270 nan 0.000 0.437 407 L N 3.497 124.744 121.223 0.040 0.000 2.307 407 L HA 0.572 4.912 4.340 0.001 0.000 0.284 407 L C -0.403 176.511 176.870 0.074 0.000 1.023 407 L CA -0.618 54.261 54.840 0.064 0.000 0.810 407 L CB 1.998 44.108 42.059 0.086 0.000 1.231 407 L HN 0.456 nan 8.230 nan 0.000 0.423 408 D N 3.265 123.712 120.400 0.079 0.000 2.408 408 D HA 0.428 5.068 4.640 0.001 0.000 0.261 408 D C -0.222 176.137 176.300 0.098 0.000 1.190 408 D CA -0.117 53.932 54.000 0.082 0.000 0.910 408 D CB 1.973 42.815 40.800 0.070 0.000 1.097 408 D HN 0.578 nan 8.370 nan 0.000 0.522 409 A N 0.664 123.549 122.820 0.108 0.000 2.287 409 A HA 0.767 5.088 4.320 0.001 0.000 0.273 409 A C 1.024 178.652 177.584 0.074 0.000 1.091 409 A CA 0.316 52.418 52.037 0.108 0.000 0.817 409 A CB 1.054 20.119 19.000 0.109 0.000 1.069 409 A HN 0.543 nan 8.150 nan 0.000 0.492 410 G N -1.081 107.769 108.800 0.083 0.000 2.704 410 G HA2 0.248 4.208 3.960 0.001 0.000 0.151 410 G HA3 0.248 4.208 3.960 0.001 0.000 0.151 410 G C 0.068 175.066 174.900 0.163 0.000 1.372 410 G CA 0.559 45.706 45.100 0.078 0.000 0.765 410 G HN 0.500 nan 8.290 nan 0.000 0.680 411 D N 0.969 121.478 120.400 0.181 0.000 2.349 411 D HA 0.273 4.913 4.640 0.001 0.000 0.214 411 D C 1.175 177.554 176.300 0.131 0.000 1.063 411 D CA 0.309 54.460 54.000 0.252 0.000 0.847 411 D CB 0.601 41.474 40.800 0.121 0.000 0.933 411 D HN 0.331 nan 8.370 nan 0.000 0.513 412 G N 1.074 109.938 108.800 0.106 0.000 2.546 412 G HA2 0.482 4.442 3.960 0.001 0.000 0.320 412 G HA3 0.482 4.442 3.960 0.001 0.000 0.320 412 G C -0.560 174.050 174.900 -0.483 0.000 0.984 412 G CA -0.477 44.562 45.100 -0.103 0.000 1.183 412 G HN 0.134 nan 8.290 nan 0.000 0.443 413 F N -0.257 119.369 119.950 -0.540 0.000 2.703 413 F HA 0.485 5.012 4.527 0.001 0.000 0.308 413 F C -0.371 175.348 175.800 -0.136 0.000 1.126 413 F CA -1.775 55.887 58.000 -0.563 0.000 0.959 413 F CB 0.996 39.795 39.000 -0.334 0.000 1.297 413 F HN 0.525 nan 8.300 nan 0.000 0.441 414 Q N 1.252 121.120 119.800 0.113 0.000 2.300 414 Q HA 0.491 4.832 4.340 0.001 0.000 0.280 414 Q C 0.526 176.572 176.000 0.077 0.000 1.033 414 Q CA 0.176 56.035 55.803 0.093 0.000 0.903 414 Q CB 1.038 29.871 28.738 0.158 0.000 1.195 414 Q HN 1.965 nan 8.270 nan 0.000 0.386 415 G N 1.492 110.286 108.800 -0.010 0.000 2.368 415 G HA2 -0.014 3.947 3.960 0.001 0.000 0.290 415 G HA3 -0.014 3.947 3.960 0.001 0.000 0.290 415 G C -0.236 174.595 174.900 -0.115 0.000 1.098 415 G CA -0.159 44.954 45.100 0.021 0.000 1.073 415 G HN 1.113 nan 8.290 nan 0.000 0.511 416 A N 0.651 123.235 122.820 -0.395 0.000 2.331 416 A HA 0.772 5.093 4.320 0.001 0.000 0.320 416 A C 0.136 177.570 177.584 -0.250 0.000 1.138 416 A CA -0.656 50.960 52.037 -0.702 0.000 0.790 416 A CB 1.004 19.169 19.000 -1.392 0.000 1.206 416 A HN 0.305 nan 8.150 nan 0.000 0.470 417 E N 2.521 122.672 120.200 -0.083 0.000 2.014 417 E HA 0.264 4.615 4.350 0.001 0.000 0.275 417 E C -1.003 175.613 176.600 0.027 0.000 0.997 417 E CA -0.200 56.204 56.400 0.007 0.000 0.804 417 E CB 0.922 30.665 29.700 0.070 0.000 1.090 417 E HN 0.499 nan 8.360 nan 0.000 0.401 418 I N 2.647 123.222 120.570 0.008 0.000 2.379 418 I HA -0.051 4.120 4.170 0.001 0.000 0.290 418 I C 0.593 176.767 176.117 0.096 0.000 1.063 418 I CA 0.112 61.439 61.300 0.044 0.000 1.351 418 I CB 0.539 38.547 38.000 0.014 0.000 1.410 418 I HN 0.185 nan 8.210 nan 0.000 0.505 419 S N 7.923 123.725 115.700 0.171 0.000 2.513 419 S HA 0.413 4.883 4.470 0.001 0.000 0.276 419 S C -1.601 173.131 174.600 0.220 0.000 1.254 419 S CA -1.138 57.211 58.200 0.248 0.000 1.053 419 S CB 1.021 64.471 63.200 0.417 0.000 0.958 419 S HN 0.498 nan 8.310 nan 0.000 0.491 420 P HA -0.048 nan 4.420 nan 0.000 0.230 420 P C 0.305 177.520 177.300 -0.142 0.000 1.158 420 P CA 0.888 63.946 63.100 -0.071 0.000 0.769 420 P CB -0.152 31.413 31.700 -0.224 0.000 0.807 421 Y N -1.978 118.350 120.300 0.048 0.000 2.511 421 Y HA 0.100 4.650 4.550 0.001 0.000 0.279 421 Y C 0.965 176.726 175.900 -0.232 0.000 1.157 421 Y CA 0.059 58.092 58.100 -0.113 0.000 1.300 421 Y CB -0.148 38.191 38.460 -0.201 0.000 1.052 421 Y HN -0.107 nan 8.280 nan 0.000 0.529 422 Y N -0.523 119.894 120.300 0.195 0.000 2.567 422 Y HA 0.266 4.816 4.550 0.001 0.000 0.333 422 Y C -0.005 175.952 175.900 0.096 0.000 1.106 422 Y CA -1.773 56.425 58.100 0.163 0.000 1.157 422 Y CB 0.682 39.249 38.460 0.179 0.000 1.277 422 Y HN -0.150 nan 8.280 nan 0.000 0.490 423 D N 0.619 121.177 120.400 0.263 0.000 2.545 423 D HA 0.048 4.689 4.640 0.001 0.000 0.227 423 D C -0.089 176.312 176.300 0.169 0.000 1.150 423 D CA -0.052 54.045 54.000 0.162 0.000 1.046 423 D CB -0.326 40.546 40.800 0.121 0.000 1.098 423 D HN 0.423 nan 8.370 nan 0.000 0.502 424 S N 1.341 117.134 115.700 0.156 0.000 3.355 424 S HA 0.033 4.503 4.470 0.001 0.000 0.293 424 S C 0.271 174.931 174.600 0.100 0.000 1.197 424 S CA -0.889 57.388 58.200 0.128 0.000 1.117 424 S CB -0.256 63.011 63.200 0.113 0.000 1.587 424 S HN 0.298 nan 8.310 nan 0.000 0.536 425 L N 4.585 125.872 121.223 0.107 0.000 2.313 425 L HA 0.403 4.743 4.340 0.001 0.000 0.282 425 L C 0.578 177.506 176.870 0.096 0.000 1.092 425 L CA -0.162 54.740 54.840 0.102 0.000 0.831 425 L CB 0.023 42.155 42.059 0.121 0.000 1.159 425 L HN 0.627 nan 8.230 nan 0.000 0.442 426 L N 4.832 126.110 121.223 0.092 0.000 2.022 426 L HA 0.167 4.507 4.340 0.001 0.000 0.204 426 L C 0.068 177.012 176.870 0.122 0.000 1.076 426 L CA 0.558 55.456 54.840 0.097 0.000 0.749 426 L CB -0.247 41.868 42.059 0.093 0.000 0.903 426 L HN 0.463 nan 8.230 nan 0.000 0.439 427 V N -0.890 119.104 119.914 0.134 0.000 2.888 427 V HA 0.284 4.405 4.120 0.001 0.000 0.309 427 V C -0.581 175.579 176.094 0.110 0.000 1.114 427 V CA -1.030 61.357 62.300 0.146 0.000 0.940 427 V CB 2.199 34.148 31.823 0.209 0.000 1.021 427 V HN 0.093 nan 8.190 nan 0.000 0.426 428 K N 3.455 123.914 120.400 0.099 0.000 2.347 428 K HA 0.528 4.848 4.320 0.001 0.000 0.262 428 K C -1.330 175.304 176.600 0.056 0.000 1.052 428 K CA -0.598 55.733 56.287 0.074 0.000 0.946 428 K CB 1.194 33.739 32.500 0.075 0.000 1.220 428 K HN 0.586 nan 8.250 nan 0.000 0.450 429 L N 3.072 124.322 121.223 0.046 0.000 2.292 429 L HA 0.373 4.713 4.340 0.001 0.000 0.284 429 L C -1.165 175.716 176.870 0.019 0.000 1.065 429 L CA 0.422 55.280 54.840 0.031 0.000 0.806 429 L CB 1.560 43.633 42.059 0.024 0.000 1.175 429 L HN 0.479 nan 8.230 nan 0.000 0.431 430 S N 2.380 118.087 115.700 0.012 0.000 2.571 430 S HA 0.759 5.229 4.470 0.001 0.000 0.284 430 S C -0.569 174.037 174.600 0.010 0.000 1.128 430 S CA -0.637 57.569 58.200 0.011 0.000 0.970 430 S CB 1.708 64.902 63.200 -0.009 0.000 1.039 430 S HN 0.821 nan 8.310 nan 0.000 0.485 431 T N -0.216 114.354 114.554 0.027 0.000 2.908 431 T HA 0.774 5.125 4.350 0.001 0.000 0.290 431 T C -1.110 173.640 174.700 0.084 0.000 1.034 431 T CA -0.708 61.401 62.100 0.015 0.000 1.010 431 T CB 1.637 70.499 68.868 -0.011 0.000 1.068 431 T HN 0.736 nan 8.240 nan 0.000 0.481 432 H N -0.003 119.005 119.070 -0.104 0.000 3.042 432 H HA 0.716 5.273 4.556 0.001 0.000 0.345 432 H C -1.259 173.988 175.328 -0.136 0.000 1.052 432 H CA 0.070 56.068 56.048 -0.083 0.000 1.311 432 H CB 1.179 30.888 29.762 -0.089 0.000 1.810 432 H HN 1.173 nan 8.280 nan 0.000 0.505 433 A N 4.618 127.194 122.820 -0.406 0.000 2.599 433 A HA 0.393 4.713 4.320 0.001 0.000 0.290 433 A C 0.893 178.408 177.584 -0.114 0.000 1.101 433 A CA -0.288 51.555 52.037 -0.324 0.000 0.674 433 A CB 0.432 19.364 19.000 -0.113 0.000 1.277 433 A HN 0.683 nan 8.150 nan 0.000 0.419 434 I N -0.840 119.718 120.570 -0.019 0.000 2.264 434 I HA -0.025 4.145 4.170 0.001 0.000 0.248 434 I C 0.914 177.167 176.117 0.227 0.000 1.111 434 I CA 2.237 63.583 61.300 0.077 0.000 1.382 434 I CB -1.712 36.325 38.000 0.061 0.000 1.060 434 I HN 0.672 nan 8.210 nan 0.000 0.418 435 S N -0.250 115.558 115.700 0.180 0.000 2.537 435 S HA 0.369 4.840 4.470 0.001 0.000 0.301 435 S C 0.475 175.135 174.600 0.100 0.000 1.092 435 S CA -0.707 57.598 58.200 0.174 0.000 1.048 435 S CB 1.901 65.135 63.200 0.057 0.000 1.053 435 S HN 0.236 nan 8.310 nan 0.000 0.501 436 F N 3.524 123.273 119.950 -0.335 0.000 2.161 436 F HA -0.097 4.430 4.527 0.001 0.000 0.300 436 F C 2.273 177.953 175.800 -0.201 0.000 1.089 436 F CA 2.025 59.779 58.000 -0.409 0.000 1.282 436 F CB -0.218 38.308 39.000 -0.790 0.000 1.010 436 F HN 0.741 nan 8.300 nan 0.000 0.485 437 K N 0.078 120.285 120.400 -0.322 0.000 2.103 437 K HA -0.153 4.168 4.320 0.001 0.000 0.204 437 K C 1.911 178.380 176.600 -0.218 0.000 1.052 437 K CA 1.285 57.372 56.287 -0.333 0.000 0.945 437 K CB -1.092 31.302 32.500 -0.177 0.000 0.722 437 K HN 0.417 nan 8.250 nan 0.000 0.443 438 Q N 0.717 120.444 119.800 -0.122 0.000 2.084 438 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 438 Q C 2.278 178.224 176.000 -0.091 0.000 0.978 438 Q CA 1.650 57.410 55.803 -0.072 0.000 0.844 438 Q CB -0.271 28.457 28.738 -0.017 0.000 0.898 438 Q HN 0.502 nan 8.270 nan 0.000 0.426 439 A N 1.208 123.966 122.820 -0.103 0.000 1.933 439 A HA -0.220 4.101 4.320 0.001 0.000 0.218 439 A C 1.983 179.487 177.584 -0.134 0.000 1.175 439 A CA 1.433 53.420 52.037 -0.082 0.000 0.628 439 A CB -0.477 18.537 19.000 0.022 0.000 0.814 439 A HN 0.321 nan 8.150 nan 0.000 0.444 440 E N 0.293 120.326 120.200 -0.278 0.000 2.110 440 E HA -0.215 4.135 4.350 0.001 0.000 0.193 440 E C 1.750 178.275 176.600 -0.125 0.000 0.988 440 E CA 1.558 57.816 56.400 -0.236 0.000 0.804 440 E CB -0.148 29.311 29.700 -0.401 0.000 0.745 440 E HN 0.770 nan 8.360 nan 0.000 0.458 441 E N 0.155 120.285 120.200 -0.117 0.000 2.107 441 E HA -0.104 4.246 4.350 0.001 0.000 0.191 441 E C 2.181 178.749 176.600 -0.053 0.000 0.982 441 E CA 0.775 57.131 56.400 -0.073 0.000 0.809 441 E CB 0.102 29.766 29.700 -0.061 0.000 0.756 441 E HN 0.128 nan 8.360 nan 0.000 0.459 442 K N 0.208 120.575 120.400 -0.055 0.000 2.057 442 K HA -0.160 4.161 4.320 0.001 0.000 0.207 442 K C 2.106 178.680 176.600 -0.043 0.000 1.049 442 K CA 1.310 57.569 56.287 -0.047 0.000 0.931 442 K CB -0.086 32.374 32.500 -0.067 0.000 0.714 442 K HN 0.033 nan 8.250 nan 0.000 0.440 443 M N 0.718 120.292 119.600 -0.044 0.000 2.059 443 M HA -0.143 4.338 4.480 0.001 0.000 0.259 443 M C 2.002 178.276 176.300 -0.044 0.000 1.072 443 M CA 1.481 56.760 55.300 -0.036 0.000 1.117 443 M CB -0.502 32.083 32.600 -0.026 0.000 1.320 443 M HN 0.011 nan 8.290 nan 0.000 0.408 444 V N 0.499 120.382 119.914 -0.051 0.000 2.490 444 V HA -0.263 3.858 4.120 0.001 0.000 0.250 444 V C 2.557 178.624 176.094 -0.045 0.000 1.061 444 V CA 2.337 64.604 62.300 -0.055 0.000 1.064 444 V CB -0.643 31.146 31.823 -0.057 0.000 0.670 444 V HN 0.644 nan 8.190 nan 0.000 0.461 445 R N -0.327 120.150 120.500 -0.039 0.000 2.062 445 R HA -0.124 4.217 4.340 0.001 0.000 0.231 445 R C 2.473 178.754 176.300 -0.032 0.000 1.136 445 R CA 2.017 58.098 56.100 -0.032 0.000 0.948 445 R CB -0.585 29.700 30.300 -0.025 0.000 0.845 445 R HN 0.604 nan 8.270 nan 0.000 0.430 446 S N 1.448 117.129 115.700 -0.031 0.000 2.365 446 S HA -0.183 4.287 4.470 0.001 0.000 0.225 446 S C 2.016 176.596 174.600 -0.033 0.000 1.039 446 S CA 1.568 59.750 58.200 -0.030 0.000 1.033 446 S CB -0.363 62.822 63.200 -0.025 0.000 0.887 446 S HN 0.288 nan 8.310 nan 0.000 0.447 447 L N 0.688 121.890 121.223 -0.035 0.000 2.046 447 L HA -0.105 4.235 4.340 0.001 0.000 0.208 447 L C 2.730 179.578 176.870 -0.038 0.000 1.077 447 L CA 1.338 56.156 54.840 -0.036 0.000 0.747 447 L CB -0.385 41.647 42.059 -0.045 0.000 0.896 447 L HN 0.201 nan 8.230 nan 0.000 0.432 448 R N -0.405 120.071 120.500 -0.039 0.000 2.148 448 R HA -0.157 4.184 4.340 0.001 0.000 0.227 448 R C 1.982 178.260 176.300 -0.036 0.000 1.103 448 R CA 0.958 57.036 56.100 -0.036 0.000 0.983 448 R CB -0.051 30.228 30.300 -0.034 0.000 0.874 448 R HN 0.356 nan 8.270 nan 0.000 0.451 449 E N -0.491 119.686 120.200 -0.038 0.000 2.442 449 E HA 0.035 4.386 4.350 0.001 0.000 0.195 449 E C 0.004 176.569 176.600 -0.058 0.000 1.030 449 E CA -0.135 56.239 56.400 -0.042 0.000 0.869 449 E CB 0.395 30.073 29.700 -0.037 0.000 0.857 449 E HN 0.057 nan 8.360 nan 0.000 0.505 450 M N 0.929 120.494 119.600 -0.059 0.000 2.249 450 M HA 0.102 4.583 4.480 0.001 0.000 0.340 450 M C -0.082 176.174 176.300 -0.074 0.000 1.166 450 M CA 0.947 56.201 55.300 -0.077 0.000 1.115 450 M CB 0.690 33.258 32.600 -0.052 0.000 1.606 450 M HN -0.106 nan 8.290 nan 0.000 0.448 451 R N 3.801 124.240 120.500 -0.102 0.000 2.576 451 R HA 0.562 4.902 4.340 0.001 0.000 0.283 451 R C -1.277 174.989 176.300 -0.055 0.000 1.493 451 R CA -0.270 55.786 56.100 -0.073 0.000 1.170 451 R CB 0.921 31.178 30.300 -0.072 0.000 1.189 451 R HN 0.611 nan 8.270 nan 0.000 0.542 452 I N 2.696 123.256 120.570 -0.015 0.000 2.439 452 I HA 0.459 4.630 4.170 0.001 0.000 0.285 452 I C -0.213 175.910 176.117 0.009 0.000 1.021 452 I CA -0.594 60.723 61.300 0.029 0.000 1.091 452 I CB 1.736 39.781 38.000 0.075 0.000 1.242 452 I HN 0.278 nan 8.210 nan 0.000 0.439 453 R N 3.127 123.631 120.500 0.006 0.000 2.808 453 R HA 0.740 5.080 4.340 0.001 0.000 0.272 453 R C 0.530 176.824 176.300 -0.010 0.000 0.995 453 R CA -0.291 55.804 56.100 -0.009 0.000 0.917 453 R CB 2.080 32.369 30.300 -0.019 0.000 1.217 453 R HN 0.813 nan 8.270 nan 0.000 0.471 454 G N 0.154 108.947 108.800 -0.012 0.000 2.345 454 G HA2 -0.274 3.686 3.960 0.001 0.000 0.218 454 G HA3 -0.274 3.686 3.960 0.001 0.000 0.218 454 G C -0.253 174.644 174.900 -0.005 0.000 1.058 454 G CA 0.065 45.162 45.100 -0.006 0.000 0.632 454 G HN 0.683 nan 8.290 nan 0.000 0.508 455 V N -1.486 118.423 119.914 -0.009 0.000 2.628 455 V HA 0.811 4.931 4.120 0.001 0.000 0.306 455 V C 0.148 176.232 176.094 -0.017 0.000 1.045 455 V CA -1.519 60.773 62.300 -0.013 0.000 0.905 455 V CB 1.744 33.557 31.823 -0.015 0.000 0.997 455 V HN 0.319 nan 8.190 nan 0.000 0.436 456 K N 2.696 123.081 120.400 -0.026 0.000 2.368 456 K HA 0.492 4.812 4.320 0.001 0.000 0.282 456 K C 0.313 176.889 176.600 -0.041 0.000 1.035 456 K CA 0.179 56.443 56.287 -0.038 0.000 0.973 456 K CB 0.973 33.441 32.500 -0.053 0.000 0.957 456 K HN 1.061 nan 8.250 nan 0.000 0.474 457 T N -1.278 113.251 114.554 -0.041 0.000 2.924 457 T HA 0.188 4.538 4.350 0.001 0.000 0.291 457 T C 0.658 175.323 174.700 -0.059 0.000 1.045 457 T CA -1.107 60.972 62.100 -0.034 0.000 1.015 457 T CB 1.128 69.992 68.868 -0.006 0.000 1.103 457 T HN 0.604 nan 8.240 nan 0.000 0.496 458 N N 0.830 119.500 118.700 -0.050 0.000 2.383 458 N HA 0.036 4.776 4.740 0.001 0.000 0.192 458 N C 1.315 176.847 175.510 0.038 0.000 1.141 458 N CA -0.075 52.946 53.050 -0.049 0.000 0.851 458 N CB -0.642 37.822 38.487 -0.038 0.000 0.976 458 N HN 0.748 nan 8.380 nan 0.000 0.465 459 I N 1.174 121.751 120.570 0.011 0.000 2.118 459 I HA -0.206 3.965 4.170 0.001 0.000 0.241 459 I C -0.606 175.506 176.117 -0.008 0.000 1.070 459 I CA 1.480 62.781 61.300 0.002 0.000 1.327 459 I CB -1.485 36.510 38.000 -0.009 0.000 1.034 459 I HN 0.100 nan 8.210 nan 0.000 0.405 460 P HA -0.207 nan 4.420 nan 0.000 0.218 460 P C 1.636 178.935 177.300 -0.001 0.000 1.148 460 P CA 1.446 64.541 63.100 -0.009 0.000 0.822 460 P CB -0.108 31.591 31.700 -0.001 0.000 0.784 461 F N 0.158 120.033 119.950 -0.126 0.000 2.128 461 F HA -0.084 4.443 4.527 0.001 0.000 0.295 461 F C 1.938 177.647 175.800 -0.151 0.000 1.100 461 F CA 1.279 59.182 58.000 -0.162 0.000 1.260 461 F CB -0.961 37.931 39.000 -0.180 0.000 1.009 461 F HN -0.284 nan 8.300 nan 0.000 0.476 462 L N 0.158 121.261 121.223 -0.201 0.000 2.042 462 L HA -0.256 4.084 4.340 0.001 0.000 0.210 462 L C 2.479 179.160 176.870 -0.315 0.000 1.076 462 L CA 1.554 56.218 54.840 -0.294 0.000 0.749 462 L CB -0.818 41.185 42.059 -0.094 0.000 0.893 462 L HN 0.202 nan 8.230 nan 0.000 0.432 463 I N 0.086 120.531 120.570 -0.208 0.000 2.118 463 I HA -0.341 3.829 4.170 0.001 0.000 0.241 463 I C 2.099 178.091 176.117 -0.208 0.000 1.070 463 I CA 1.690 62.889 61.300 -0.169 0.000 1.327 463 I CB -0.498 37.439 38.000 -0.105 0.000 1.034 463 I HN 0.306 nan 8.210 nan 0.000 0.405 464 N N 0.123 118.671 118.700 -0.254 0.000 2.205 464 N HA -0.140 4.601 4.740 0.001 0.000 0.186 464 N C 1.723 177.055 175.510 -0.296 0.000 1.015 464 N CA 1.074 53.974 53.050 -0.250 0.000 0.862 464 N CB -0.277 38.055 38.487 -0.259 0.000 0.986 464 N HN 0.154 nan 8.380 nan 0.000 0.429 465 V N 0.570 120.200 119.914 -0.473 0.000 2.270 465 V HA -0.179 3.942 4.120 0.001 0.000 0.245 465 V C 2.181 178.055 176.094 -0.366 0.000 1.043 465 V CA 1.272 63.316 62.300 -0.427 0.000 1.014 465 V CB -0.386 31.064 31.823 -0.622 0.000 0.645 465 V HN 0.311 nan 8.190 nan 0.000 0.447 466 M N -0.466 118.897 119.600 -0.395 0.000 2.159 466 M HA -0.106 4.374 4.480 0.001 0.000 0.263 466 M C 2.103 178.403 176.300 0.001 0.000 1.063 466 M CA 1.523 56.674 55.300 -0.248 0.000 1.110 466 M CB -1.112 31.381 32.600 -0.178 0.000 1.374 466 M HN 0.216 nan 8.290 nan 0.000 0.411 467 K N 0.616 120.986 120.400 -0.050 0.000 2.296 467 K HA 0.022 4.342 4.320 0.001 0.000 0.200 467 K C 0.644 177.266 176.600 0.036 0.000 1.048 467 K CA 0.007 56.287 56.287 -0.012 0.000 0.966 467 K CB -0.315 32.161 32.500 -0.041 0.000 0.754 467 K HN 0.323 nan 8.250 nan 0.000 0.466 468 N N 1.773 120.513 118.700 0.067 0.000 2.454 468 N HA -0.060 4.680 4.740 0.001 0.000 0.254 468 N C 0.592 176.195 175.510 0.156 0.000 1.228 468 N CA 0.477 53.606 53.050 0.132 0.000 0.900 468 N CB 0.884 39.515 38.487 0.240 0.000 1.089 468 N HN -0.024 nan 8.380 nan 0.000 0.449 469 K N 2.656 123.131 120.400 0.125 0.000 2.097 469 K HA -0.110 4.210 4.320 0.001 0.000 0.206 469 K C 1.602 178.264 176.600 0.103 0.000 1.049 469 K CA 1.336 57.680 56.287 0.095 0.000 0.933 469 K CB 0.166 32.711 32.500 0.075 0.000 0.717 469 K HN 0.534 nan 8.250 nan 0.000 0.442 470 K N -0.025 120.465 120.400 0.151 0.000 2.097 470 K HA -0.148 4.173 4.320 0.001 0.000 0.206 470 K C 1.935 178.527 176.600 -0.014 0.000 1.049 470 K CA 1.371 57.720 56.287 0.104 0.000 0.933 470 K CB -0.165 32.489 32.500 0.257 0.000 0.717 470 K HN 0.124 nan 8.250 nan 0.000 0.442 471 F N 2.021 121.817 119.950 -0.257 0.000 2.128 471 F HA -0.208 4.319 4.527 0.001 0.000 0.295 471 F C 2.389 178.275 175.800 0.142 0.000 1.100 471 F CA 1.708 59.532 58.000 -0.294 0.000 1.260 471 F CB -0.322 38.450 39.000 -0.381 0.000 1.009 471 F HN 0.016 nan 8.300 nan 0.000 0.476 472 T N -1.999 112.541 114.554 -0.024 0.000 3.007 472 T HA -0.145 4.205 4.350 0.001 0.000 0.270 472 T C 2.063 176.807 174.700 0.073 0.000 1.107 472 T CA 1.029 63.105 62.100 -0.041 0.000 1.118 472 T CB -0.941 67.896 68.868 -0.052 0.000 0.889 472 T HN 0.419 nan 8.240 nan 0.000 0.506 473 S N 1.032 116.747 115.700 0.025 0.000 2.428 473 S HA 0.305 4.775 4.470 0.001 0.000 0.230 473 S C 2.217 176.752 174.600 -0.109 0.000 1.014 473 S CA 0.775 58.963 58.200 -0.019 0.000 0.957 473 S CB -0.952 62.241 63.200 -0.012 0.000 0.784 473 S HN 1.240 nan 8.310 nan 0.000 0.499 474 G N 1.403 110.120 108.800 -0.138 0.000 2.176 474 G HA2 -0.225 3.735 3.960 0.001 0.000 0.253 474 G HA3 -0.225 3.735 3.960 0.001 0.000 0.253 474 G C 0.303 174.855 174.900 -0.580 0.000 0.979 474 G CA 0.401 45.236 45.100 -0.442 0.000 0.641 474 G HN 0.586 nan 8.290 nan 0.000 0.530 475 D N 0.015 120.221 120.400 -0.323 0.000 2.339 475 D HA 0.182 4.822 4.640 0.001 0.000 0.217 475 D C 1.207 177.370 176.300 -0.229 0.000 1.050 475 D CA 0.106 53.946 54.000 -0.266 0.000 0.856 475 D CB -0.313 40.413 40.800 -0.122 0.000 0.922 475 D HN 0.750 nan 8.370 nan 0.000 0.518 476 Y N 1.608 121.837 120.300 -0.118 0.000 2.683 476 Y HA 0.219 4.769 4.550 0.001 0.000 0.340 476 Y C 1.109 177.012 175.900 0.006 0.000 1.245 476 Y CA -0.876 57.168 58.100 -0.093 0.000 1.485 476 Y CB 0.016 38.297 38.460 -0.298 0.000 1.328 476 Y HN -0.227 nan 8.280 nan 0.000 0.603 477 T N -1.888 112.825 114.554 0.265 0.000 2.889 477 T HA 0.280 4.630 4.350 0.001 0.000 0.278 477 T C 1.148 176.046 174.700 0.330 0.000 0.995 477 T CA -0.273 61.965 62.100 0.229 0.000 0.966 477 T CB 1.018 69.983 68.868 0.162 0.000 1.237 477 T HN 0.831 nan 8.240 nan 0.000 0.591 478 T N -1.823 112.889 114.554 0.263 0.000 3.007 478 T HA 0.022 4.372 4.350 0.001 0.000 0.270 478 T C 1.468 176.315 174.700 0.246 0.000 1.107 478 T CA 0.373 62.630 62.100 0.262 0.000 1.118 478 T CB -0.335 68.673 68.868 0.234 0.000 0.889 478 T HN 0.446 nan 8.240 nan 0.000 0.506 479 K N 0.142 120.686 120.400 0.241 0.000 2.486 479 K HA 0.123 4.444 4.320 0.001 0.000 0.194 479 K C 1.498 178.233 176.600 0.225 0.000 1.033 479 K CA 0.024 56.435 56.287 0.206 0.000 1.004 479 K CB -0.516 32.095 32.500 0.185 0.000 0.798 479 K HN 0.455 nan 8.250 nan 0.000 0.495 480 F N 2.646 122.676 119.950 0.134 0.000 2.027 480 F HA -0.327 4.200 4.527 0.001 0.000 0.297 480 F C 1.832 177.685 175.800 0.088 0.000 1.129 480 F CA 1.593 59.664 58.000 0.118 0.000 1.195 480 F CB -0.385 38.690 39.000 0.124 0.000 0.960 480 F HN -0.143 nan 8.300 nan 0.000 0.485 481 I N 1.230 121.662 120.570 -0.231 0.000 2.163 481 I HA -0.284 3.887 4.170 0.001 0.000 0.243 481 I C 2.411 178.476 176.117 -0.087 0.000 1.085 481 I CA 2.163 63.276 61.300 -0.311 0.000 1.347 481 I CB -1.817 36.145 38.000 -0.063 0.000 1.044 481 I HN 0.446 nan 8.210 nan 0.000 0.408 482 E N 0.866 121.064 120.200 -0.003 0.000 2.274 482 E HA -0.161 4.189 4.350 0.001 0.000 0.194 482 E C 1.519 178.138 176.600 0.031 0.000 0.996 482 E CA 0.749 57.168 56.400 0.030 0.000 0.840 482 E CB -0.321 29.386 29.700 0.012 0.000 0.772 482 E HN 0.549 nan 8.360 nan 0.000 0.491 483 E N 0.705 120.921 120.200 0.027 0.000 2.489 483 E HA 0.045 4.396 4.350 0.001 0.000 0.193 483 E C -0.316 176.302 176.600 0.029 0.000 1.057 483 E CA 0.330 56.759 56.400 0.049 0.000 0.866 483 E CB 0.563 30.322 29.700 0.099 0.000 0.916 483 E HN 0.084 nan 8.360 nan 0.000 0.500 484 T N 1.648 116.180 114.554 -0.036 0.000 2.934 484 T HA 0.177 4.527 4.350 0.001 0.000 0.328 484 T C -2.274 172.445 174.700 0.031 0.000 1.068 484 T CA -1.485 60.583 62.100 -0.053 0.000 1.018 484 T CB 1.714 70.442 68.868 -0.233 0.000 1.009 484 T HN -0.090 nan 8.240 nan 0.000 0.471 485 P HA -0.035 nan 4.420 nan 0.000 0.221 485 P C 1.462 178.906 177.300 0.241 0.000 1.155 485 P CA 0.502 63.714 63.100 0.187 0.000 0.812 485 P CB 0.276 32.034 31.700 0.096 0.000 0.801 486 E N 0.747 121.016 120.200 0.116 0.000 2.512 486 E HA -0.043 4.308 4.350 0.001 0.000 0.195 486 E C 1.352 177.972 176.600 0.032 0.000 1.083 486 E CA 0.323 56.775 56.400 0.086 0.000 0.873 486 E CB -0.947 28.782 29.700 0.048 0.000 0.897 486 E HN 0.300 nan 8.360 nan 0.000 0.514 487 L N -0.538 120.662 121.223 -0.038 0.000 2.376 487 L HA 0.029 4.369 4.340 0.001 0.000 0.219 487 L C 1.315 178.052 176.870 -0.222 0.000 1.133 487 L CA 0.699 55.380 54.840 -0.265 0.000 0.816 487 L CB -0.321 41.429 42.059 -0.515 0.000 0.933 487 L HN 0.025 nan 8.230 nan 0.000 0.449 488 F N -1.398 118.644 119.950 0.154 0.000 2.695 488 F HA 0.091 4.619 4.527 0.001 0.000 0.303 488 F C 0.842 176.688 175.800 0.078 0.000 1.091 488 F CA -0.632 57.464 58.000 0.160 0.000 1.300 488 F CB -0.110 38.955 39.000 0.109 0.000 1.071 488 F HN -0.087 nan 8.300 nan 0.000 0.578 489 D N 1.975 122.481 120.400 0.177 0.000 2.441 489 D HA 0.139 4.779 4.640 0.001 0.000 0.243 489 D C -0.505 175.833 176.300 0.064 0.000 1.257 489 D CA 0.543 54.604 54.000 0.103 0.000 1.027 489 D CB -0.132 40.710 40.800 0.069 0.000 1.084 489 D HN -0.098 nan 8.370 nan 0.000 0.514 490 I N 2.964 123.574 120.570 0.067 0.000 2.571 490 I HA 0.170 4.341 4.170 0.001 0.000 0.289 490 I C -0.224 175.909 176.117 0.027 0.000 1.115 490 I CA -0.723 60.600 61.300 0.038 0.000 1.045 490 I CB 1.852 39.876 38.000 0.040 0.000 1.238 490 I HN 0.240 nan 8.210 nan 0.000 0.424 491 Q N 5.983 125.791 119.800 0.013 0.000 2.260 491 Q HA 0.476 4.817 4.340 0.001 0.000 0.242 491 Q C -2.176 173.823 176.000 -0.003 0.000 0.932 491 Q CA -1.230 54.576 55.803 0.005 0.000 0.891 491 Q CB 0.312 29.052 28.738 0.002 0.000 1.222 491 Q HN 0.308 nan 8.270 nan 0.000 0.453 492 P HA -0.030 nan 4.420 nan 0.000 0.265 492 P C -0.870 176.420 177.300 -0.016 0.000 1.187 492 P CA 0.139 63.230 63.100 -0.015 0.000 0.766 492 P CB 0.485 32.174 31.700 -0.019 0.000 0.820 493 S N 2.487 118.175 115.700 -0.019 0.000 2.643 493 S HA -0.001 4.470 4.470 0.001 0.000 0.329 493 S C 0.399 174.986 174.600 -0.021 0.000 1.193 493 S CA -0.114 58.074 58.200 -0.020 0.000 1.293 493 S CB -0.947 62.240 63.200 -0.022 0.000 1.205 493 S HN 0.250 nan 8.310 nan 0.000 0.550 494 L N 4.110 125.322 121.223 -0.018 0.000 2.451 494 L HA 0.153 4.494 4.340 0.001 0.000 0.272 494 L C 0.461 177.320 176.870 -0.018 0.000 1.258 494 L CA 0.081 54.910 54.840 -0.018 0.000 1.132 494 L CB -0.643 41.407 42.059 -0.014 0.000 1.361 494 L HN 0.453 nan 8.230 nan 0.000 0.438 495 D N 0.547 120.935 120.400 -0.020 0.000 2.440 495 D HA 0.323 4.964 4.640 0.001 0.000 0.239 495 D C 0.914 177.204 176.300 -0.017 0.000 1.084 495 D CA -0.589 53.399 54.000 -0.020 0.000 0.843 495 D CB 1.052 41.839 40.800 -0.022 0.000 1.097 495 D HN 0.094 nan 8.370 nan 0.000 0.531 496 R N 2.077 122.568 120.500 -0.015 0.000 2.237 496 R HA 0.282 4.622 4.340 0.001 0.000 0.195 496 R C 2.134 178.427 176.300 -0.011 0.000 0.956 496 R CA 0.693 56.788 56.100 -0.008 0.000 1.029 496 R CB 0.208 30.503 30.300 -0.007 0.000 0.972 496 R HN 0.562 nan 8.270 nan 0.000 0.493 497 G N -0.404 108.382 108.800 -0.024 0.000 2.421 497 G HA2 -0.239 3.721 3.960 0.001 0.000 0.216 497 G HA3 -0.239 3.721 3.960 0.001 0.000 0.216 497 G C 1.196 176.066 174.900 -0.050 0.000 1.171 497 G CA 1.385 46.461 45.100 -0.040 0.000 0.775 497 G HN 0.268 nan 8.290 nan 0.000 0.543 498 T N 0.753 115.284 114.554 -0.037 0.000 2.821 498 T HA -0.016 4.334 4.350 0.001 0.000 0.267 498 T C 2.290 176.993 174.700 0.004 0.000 1.046 498 T CA 1.233 63.313 62.100 -0.033 0.000 1.139 498 T CB -0.100 68.752 68.868 -0.027 0.000 0.871 498 T HN 0.285 nan 8.240 nan 0.000 0.454 499 K N 0.706 121.121 120.400 0.025 0.000 2.097 499 K HA -0.074 4.247 4.320 0.001 0.000 0.206 499 K C 2.544 179.238 176.600 0.156 0.000 1.049 499 K CA 1.372 57.712 56.287 0.087 0.000 0.933 499 K CB -0.314 32.222 32.500 0.059 0.000 0.717 499 K HN 0.237 nan 8.250 nan 0.000 0.442 500 T N 1.962 116.560 114.554 0.074 0.000 2.737 500 T HA -0.061 4.289 4.350 0.001 0.000 0.265 500 T C 1.832 176.563 174.700 0.051 0.000 1.038 500 T CA 0.919 63.060 62.100 0.068 0.000 1.144 500 T CB -0.139 68.729 68.868 -0.000 0.000 0.866 500 T HN 0.113 nan 8.240 nan 0.000 0.434 501 L N 0.880 122.060 121.223 -0.072 0.000 2.079 501 L HA -0.102 4.238 4.340 0.001 0.000 0.210 501 L C 2.869 179.789 176.870 0.083 0.000 1.081 501 L CA 1.160 55.882 54.840 -0.197 0.000 0.752 501 L CB -0.569 41.248 42.059 -0.403 0.000 0.896 501 L HN 0.236 nan 8.230 nan 0.000 0.433 502 E N -0.401 119.884 120.200 0.143 0.000 2.077 502 E HA -0.263 4.088 4.350 0.001 0.000 0.193 502 E C 1.989 178.735 176.600 0.242 0.000 0.989 502 E CA 1.611 58.150 56.400 0.231 0.000 0.800 502 E CB -0.247 29.622 29.700 0.282 0.000 0.746 502 E HN 0.523 nan 8.360 nan 0.000 0.452 503 Y N 1.322 121.659 120.300 0.062 0.000 2.153 503 Y HA -0.188 4.363 4.550 0.001 0.000 0.289 503 Y C 2.223 178.040 175.900 -0.137 0.000 1.127 503 Y CA 1.226 59.150 58.100 -0.294 0.000 1.131 503 Y CB -0.147 38.068 38.460 -0.409 0.000 0.995 503 Y HN -0.082 nan 8.280 nan 0.000 0.505 504 I N 0.674 121.295 120.570 0.085 0.000 2.194 504 I HA -0.271 3.899 4.170 0.001 0.000 0.246 504 I C 2.661 178.802 176.117 0.039 0.000 1.093 504 I CA 1.654 62.992 61.300 0.063 0.000 1.355 504 I CB -2.197 35.907 38.000 0.173 0.000 1.046 504 I HN 0.439 nan 8.210 nan 0.000 0.413 505 G N 0.666 109.543 108.800 0.129 0.000 2.421 505 G HA2 -0.311 3.650 3.960 0.001 0.000 0.216 505 G HA3 -0.311 3.650 3.960 0.001 0.000 0.216 505 G C 1.584 176.486 174.900 0.003 0.000 1.171 505 G CA 0.957 46.130 45.100 0.122 0.000 0.775 505 G HN 0.477 nan 8.290 nan 0.000 0.543 506 N N -0.238 118.420 118.700 -0.069 0.000 2.080 506 N HA -0.115 4.625 4.740 0.001 0.000 0.189 506 N C 2.325 177.728 175.510 -0.178 0.000 1.036 506 N CA 1.289 54.273 53.050 -0.110 0.000 0.846 506 N CB -0.042 38.370 38.487 -0.124 0.000 1.015 506 N HN 0.157 nan 8.380 nan 0.000 0.423 507 V N 0.712 120.422 119.914 -0.341 0.000 2.407 507 V HA -0.178 3.943 4.120 0.001 0.000 0.248 507 V C 2.179 178.209 176.094 -0.107 0.000 1.055 507 V CA 1.695 63.828 62.300 -0.279 0.000 1.049 507 V CB -0.795 30.757 31.823 -0.451 0.000 0.662 507 V HN 0.415 nan 8.190 nan 0.000 0.455 508 T N 0.580 115.093 114.554 -0.068 0.000 2.746 508 T HA -0.082 4.269 4.350 0.001 0.000 0.267 508 T C 1.840 176.542 174.700 0.004 0.000 1.039 508 T CA 1.439 63.541 62.100 0.003 0.000 1.142 508 T CB -0.165 68.718 68.868 0.024 0.000 0.866 508 T HN 0.250 nan 8.240 nan 0.000 0.444 509 I N 1.609 122.173 120.570 -0.010 0.000 2.333 509 I HA 0.010 4.181 4.170 0.001 0.000 0.246 509 I C 1.701 177.815 176.117 -0.004 0.000 1.106 509 I CA 1.209 62.509 61.300 -0.001 0.000 1.411 509 I CB -0.874 37.128 38.000 0.005 0.000 1.082 509 I HN 0.253 nan 8.210 nan 0.000 0.420 510 N N -0.022 118.665 118.700 -0.022 0.000 2.273 510 N HA 0.213 4.953 4.740 0.001 0.000 0.192 510 N C 1.090 176.585 175.510 -0.025 0.000 1.132 510 N CA 0.983 54.020 53.050 -0.022 0.000 0.887 510 N CB 1.828 40.298 38.487 -0.028 0.000 1.048 510 N HN 0.394 nan 8.380 nan 0.000 0.490 511 G N 1.064 109.846 108.800 -0.030 0.000 2.500 511 G HA2 -0.123 3.837 3.960 0.001 0.000 0.209 511 G HA3 -0.123 3.837 3.960 0.001 0.000 0.209 511 G C -1.504 173.406 174.900 0.017 0.000 1.283 511 G CA -0.652 44.444 45.100 -0.007 0.000 0.960 511 G HN 0.160 nan 8.290 nan 0.000 0.528 512 F N 1.907 121.773 119.950 -0.141 0.000 2.596 512 F HA 0.651 5.179 4.527 0.001 0.000 0.311 512 F C -1.921 173.843 175.800 -0.060 0.000 1.116 512 F CA -1.330 56.603 58.000 -0.112 0.000 0.957 512 F CB 2.164 41.083 39.000 -0.135 0.000 1.250 512 F HN 0.570 nan 8.300 nan 0.000 0.444 516 V N 1.601 121.438 119.914 -0.129 0.000 2.409 516 V HA 0.219 4.339 4.120 0.001 0.000 0.291 516 V C 0.290 176.297 176.094 -0.146 0.000 1.020 516 V CA -0.621 61.512 62.300 -0.280 0.000 0.848 516 V CB 1.700 33.282 31.823 -0.402 0.000 0.990 516 V HN 0.155 nan 8.190 nan 0.000 0.430 517 E N 3.661 123.795 120.200 -0.110 0.000 2.491 517 E HA -0.054 4.296 4.350 0.001 0.000 0.250 517 E C 0.207 176.831 176.600 0.040 0.000 1.061 517 E CA -0.372 56.014 56.400 -0.024 0.000 0.942 517 E CB 0.330 30.026 29.700 -0.006 0.000 0.957 517 E HN 0.516 nan 8.360 nan 0.000 0.480 518 K N 5.691 126.107 120.400 0.027 0.000 2.319 518 K HA -0.095 4.225 4.320 0.001 0.000 0.277 518 K C -0.462 176.188 176.600 0.084 0.000 1.111 518 K CA 0.470 56.790 56.287 0.055 0.000 1.093 518 K CB 0.004 32.521 32.500 0.028 0.000 0.910 518 K HN 0.550 nan 8.250 nan 0.000 0.452 519 R N 3.255 123.848 120.500 0.154 0.000 2.710 519 R HA 0.511 4.851 4.340 0.001 0.000 0.270 519 R C -2.706 173.667 176.300 0.121 0.000 1.021 519 R CA -1.869 54.300 56.100 0.114 0.000 0.889 519 R CB 0.412 30.765 30.300 0.089 0.000 1.243 519 R HN 0.247 nan 8.270 nan 0.000 0.464 520 P HA -0.046 nan 4.420 nan 0.000 0.264 520 P C -0.935 176.295 177.300 -0.116 0.000 1.183 520 P CA 0.044 63.135 63.100 -0.014 0.000 0.763 520 P CB 0.467 32.140 31.700 -0.044 0.000 0.807 521 K N 4.802 125.131 120.400 -0.119 0.000 2.404 521 K HA -0.023 4.297 4.320 0.001 0.000 0.271 521 K C -2.009 174.331 176.600 -0.433 0.000 1.130 521 K CA -0.823 55.274 56.287 -0.317 0.000 1.181 521 K CB -0.443 31.995 32.500 -0.102 0.000 0.840 521 K HN 0.300 nan 8.250 nan 0.000 0.483 522 P HA 0.024 nan 4.420 nan 0.000 0.272 522 P C -0.994 175.804 177.300 -0.836 0.000 1.223 522 P CA -0.399 62.269 63.100 -0.721 0.000 0.784 522 P CB 0.609 31.798 31.700 -0.852 0.000 0.923 523 D N 0.718 120.770 120.400 -0.579 0.000 2.389 523 D HA 0.152 4.792 4.640 0.001 0.000 0.247 523 D C -1.077 174.893 176.300 -0.550 0.000 1.128 523 D CA 0.397 54.149 54.000 -0.413 0.000 0.884 523 D CB 0.091 40.764 40.800 -0.212 0.000 1.194 523 D HN 0.237 nan 8.370 nan 0.000 0.441 524 Y N 1.059 121.358 120.300 -0.002 0.000 2.499 524 Y HA 0.312 4.862 4.550 0.001 0.000 0.347 524 Y C 0.401 176.330 175.900 0.049 0.000 0.987 524 Y CA -1.188 56.946 58.100 0.058 0.000 1.044 524 Y CB 1.578 40.132 38.460 0.158 0.000 1.245 524 Y HN 0.285 nan 8.280 nan 0.000 0.461 525 E N 2.093 122.421 120.200 0.213 0.000 2.366 525 E HA 0.247 4.597 4.350 0.001 0.000 0.266 525 E C -0.899 175.775 176.600 0.123 0.000 1.051 525 E CA -0.516 55.957 56.400 0.120 0.000 0.884 525 E CB 0.816 30.561 29.700 0.076 0.000 1.006 525 E HN 0.411 nan 8.360 nan 0.000 0.417 526 L N 2.240 123.514 121.223 0.084 0.000 2.462 526 L HA 0.108 4.449 4.340 0.001 0.000 0.272 526 L C 0.129 177.034 176.870 0.057 0.000 1.166 526 L CA -0.290 54.595 54.840 0.074 0.000 0.880 526 L CB 0.347 42.438 42.059 0.053 0.000 1.142 526 L HN 0.545 nan 8.230 nan 0.000 0.473 527 A N 3.219 126.075 122.820 0.060 0.000 2.269 527 A HA 0.413 4.734 4.320 0.001 0.000 0.302 527 A C 0.398 178.032 177.584 0.084 0.000 1.266 527 A CA -0.532 51.530 52.037 0.042 0.000 0.894 527 A CB 0.443 19.424 19.000 -0.032 0.000 1.147 527 A HN 0.733 nan 8.150 nan 0.000 0.537 528 S N 3.055 118.802 115.700 0.077 0.000 2.455 528 S HA 0.461 4.931 4.470 0.001 0.000 0.278 528 S C -0.222 174.441 174.600 0.105 0.000 1.216 528 S CA -0.233 58.009 58.200 0.070 0.000 1.055 528 S CB -0.226 62.998 63.200 0.040 0.000 0.939 528 S HN 0.458 nan 8.310 nan 0.000 0.494 529 I N 4.979 125.597 120.570 0.079 0.000 2.297 529 I HA 0.324 4.495 4.170 0.001 0.000 0.291 529 I C -2.144 173.955 176.117 -0.031 0.000 1.033 529 I CA -2.264 59.054 61.300 0.029 0.000 1.253 529 I CB 0.870 38.886 38.000 0.026 0.000 1.396 529 I HN 0.453 nan 8.210 nan 0.000 0.476 530 P HA 0.297 nan 4.420 nan 0.000 0.275 530 P C -0.736 176.527 177.300 -0.061 0.000 1.227 530 P CA -0.262 62.809 63.100 -0.049 0.000 0.781 530 P CB 0.847 32.520 31.700 -0.045 0.000 0.906 531 T N 0.936 115.471 114.554 -0.031 0.000 2.908 531 T HA 0.566 4.917 4.350 0.001 0.000 0.290 531 T C -0.590 174.107 174.700 -0.005 0.000 1.034 531 T CA -0.545 61.542 62.100 -0.022 0.000 1.010 531 T CB 1.402 70.260 68.868 -0.017 0.000 1.068 531 T HN 0.073 nan 8.240 nan 0.000 0.481 532 V N 2.184 122.102 119.914 0.008 0.000 2.638 532 V HA 0.537 4.658 4.120 0.001 0.000 0.306 532 V C 0.446 176.541 176.094 0.002 0.000 1.052 532 V CA -1.134 61.177 62.300 0.019 0.000 0.885 532 V CB 1.934 33.795 31.823 0.064 0.000 0.999 532 V HN 1.130 nan 8.190 nan 0.000 0.424 533 S N 2.551 118.239 115.700 -0.019 0.000 2.576 533 S HA 0.082 4.552 4.470 0.001 0.000 0.272 533 S C 1.608 176.179 174.600 -0.049 0.000 1.352 533 S CA 0.243 58.423 58.200 -0.033 0.000 1.021 533 S CB 1.108 64.283 63.200 -0.041 0.000 0.887 533 S HN 1.313 nan 8.310 nan 0.000 0.542 534 S N 1.772 117.446 115.700 -0.044 0.000 2.370 534 S HA -0.158 4.312 4.470 0.001 0.000 0.226 534 S C 1.925 176.472 174.600 -0.087 0.000 1.033 534 S CA 1.473 59.643 58.200 -0.051 0.000 1.011 534 S CB -1.309 61.869 63.200 -0.038 0.000 0.852 534 S HN 0.687 nan 8.310 nan 0.000 0.457 535 S N 1.567 117.211 115.700 -0.093 0.000 2.356 535 S HA -0.052 4.418 4.470 0.001 0.000 0.223 535 S C 1.929 176.410 174.600 -0.198 0.000 1.032 535 S CA 1.476 59.605 58.200 -0.118 0.000 1.005 535 S CB -0.405 62.740 63.200 -0.091 0.000 0.867 535 S HN 0.654 nan 8.310 nan 0.000 0.449 536 K N 0.552 120.815 120.400 -0.228 0.000 2.097 536 K HA 0.035 4.355 4.320 0.001 0.000 0.205 536 K C 0.185 176.303 176.600 -0.802 0.000 1.050 536 K CA 0.731 56.776 56.287 -0.403 0.000 0.938 536 K CB -0.104 32.242 32.500 -0.257 0.000 0.718 536 K HN 0.323 nan 8.250 nan 0.000 0.442 537 I N 2.450 122.738 120.570 -0.470 0.000 2.349 537 I HA 0.030 4.201 4.170 0.001 0.000 0.302 537 I C -0.900 175.071 176.117 -0.245 0.000 1.180 537 I CA 0.497 61.593 61.300 -0.340 0.000 1.405 537 I CB -0.683 37.316 38.000 -0.002 0.000 1.474 537 I HN 0.158 nan 8.210 nan 0.000 0.632 538 F N 2.086 122.025 119.950 -0.018 0.000 2.186 538 F HA -0.181 4.346 4.527 0.001 0.000 0.318 538 F C 0.060 175.842 175.800 -0.032 0.000 1.180 538 F CA -0.597 57.393 58.000 -0.017 0.000 0.910 538 F CB -0.329 38.666 39.000 -0.008 0.000 4.120 538 F HN 0.268 nan 8.300 nan 0.000 0.146 539 S N 2.278 118.087 115.700 0.181 0.000 2.532 539 S HA 0.676 5.146 4.470 0.001 0.000 0.256 539 S C 0.116 174.706 174.600 -0.015 0.000 1.298 539 S CA 0.279 58.508 58.200 0.048 0.000 1.166 539 S CB 0.532 63.745 63.200 0.022 0.000 1.022 539 S HN 0.985 nan 8.310 nan 0.000 0.480 540 G N 1.588 110.362 108.800 -0.043 0.000 2.849 540 G HA2 0.299 4.260 3.960 0.001 0.000 0.174 540 G HA3 0.299 4.260 3.960 0.001 0.000 0.174 540 G C 1.053 175.838 174.900 -0.192 0.000 1.370 540 G CA 0.250 45.290 45.100 -0.100 0.000 1.040 540 G HN 0.622 nan 8.290 nan 0.000 0.582 541 T N -1.639 112.791 114.554 -0.207 0.000 3.067 541 T HA 0.111 4.461 4.350 0.001 0.000 0.261 541 T C 1.929 176.491 174.700 -0.231 0.000 1.110 541 T CA 0.729 62.655 62.100 -0.289 0.000 1.113 541 T CB 0.161 68.869 68.868 -0.266 0.000 0.917 541 T HN 0.200 nan 8.240 nan 0.000 0.499 542 K N 1.324 121.618 120.400 -0.177 0.000 2.057 542 K HA -0.038 4.283 4.320 0.001 0.000 0.206 542 K C 2.348 178.860 176.600 -0.146 0.000 1.050 542 K CA 1.151 57.341 56.287 -0.162 0.000 0.935 542 K CB -0.179 32.229 32.500 -0.154 0.000 0.715 542 K HN 0.418 nan 8.250 nan 0.000 0.439 543 Q N 0.344 120.062 119.800 -0.136 0.000 2.297 543 Q HA -0.095 4.245 4.340 0.001 0.000 0.204 543 Q C 2.106 178.019 176.000 -0.145 0.000 0.962 543 Q CA 0.513 56.244 55.803 -0.120 0.000 0.879 543 Q CB -0.423 28.259 28.738 -0.094 0.000 0.947 543 Q HN 0.178 nan 8.270 nan 0.000 0.462 544 L N 0.461 121.561 121.223 -0.206 0.000 2.093 544 L HA -0.088 4.253 4.340 0.001 0.000 0.208 544 L C 2.033 178.803 176.870 -0.167 0.000 1.085 544 L CA 0.938 55.630 54.840 -0.247 0.000 0.755 544 L CB -0.452 41.351 42.059 -0.428 0.000 0.904 544 L HN 0.166 nan 8.230 nan 0.000 0.435 545 L N -0.772 120.363 121.223 -0.147 0.000 2.201 545 L HA -0.153 4.188 4.340 0.001 0.000 0.212 545 L C 1.835 178.654 176.870 -0.085 0.000 1.105 545 L CA 1.602 56.380 54.840 -0.104 0.000 0.775 545 L CB -0.694 41.304 42.059 -0.101 0.000 0.913 545 L HN 0.280 nan 8.230 nan 0.000 0.440 546 D N -0.500 119.846 120.400 -0.090 0.000 2.149 546 D HA -0.142 4.498 4.640 0.001 0.000 0.201 546 D C 1.987 178.250 176.300 -0.061 0.000 0.972 546 D CA 1.280 55.237 54.000 -0.072 0.000 0.835 546 D CB 0.132 40.888 40.800 -0.073 0.000 0.966 546 D HN 0.523 nan 8.370 nan 0.000 0.476 547 E N -0.005 120.154 120.200 -0.069 0.000 2.024 547 E HA -0.055 4.295 4.350 0.001 0.000 0.190 547 E C 2.057 178.630 176.600 -0.045 0.000 0.974 547 E CA 0.885 57.251 56.400 -0.055 0.000 0.810 547 E CB 0.271 29.933 29.700 -0.063 0.000 0.775 547 E HN 0.197 nan 8.360 nan 0.000 0.453 548 V N -2.141 117.743 119.914 -0.050 0.000 3.660 548 V HA 0.403 4.524 4.120 0.001 0.000 0.276 548 V C 0.830 176.903 176.094 -0.034 0.000 1.317 548 V CA 0.094 62.376 62.300 -0.031 0.000 1.097 548 V CB -0.453 31.360 31.823 -0.016 0.000 0.863 548 V HN 0.343 nan 8.190 nan 0.000 0.438 549 G N 1.456 110.226 108.800 -0.050 0.000 2.855 549 G HA2 -0.171 3.790 3.960 0.001 0.000 0.352 549 G HA3 -0.171 3.790 3.960 0.001 0.000 0.352 549 G C -1.158 173.691 174.900 -0.085 0.000 1.415 549 G CA -0.094 44.969 45.100 -0.061 0.000 0.871 549 G HN 0.325 nan 8.290 nan 0.000 0.543 550 P HA -0.158 nan 4.420 nan 0.000 0.215 550 P C 1.732 178.868 177.300 -0.272 0.000 1.157 550 P CA 1.962 64.891 63.100 -0.284 0.000 0.874 550 P CB -0.041 31.296 31.700 -0.605 0.000 0.790 551 K N -0.327 119.938 120.400 -0.225 0.000 2.057 551 K HA -0.056 4.265 4.320 0.001 0.000 0.207 551 K C 2.466 179.075 176.600 0.016 0.000 1.049 551 K CA 1.769 58.023 56.287 -0.055 0.000 0.931 551 K CB -1.518 30.985 32.500 0.004 0.000 0.714 551 K HN 0.230 nan 8.250 nan 0.000 0.440 552 G N 0.817 109.622 108.800 0.009 0.000 2.432 552 G HA2 -0.172 3.789 3.960 0.001 0.000 0.219 552 G HA3 -0.172 3.789 3.960 0.001 0.000 0.219 552 G C 1.698 176.660 174.900 0.103 0.000 1.135 552 G CA 0.724 45.853 45.100 0.048 0.000 0.767 552 G HN 0.127 nan 8.290 nan 0.000 0.550 553 V N 1.530 121.491 119.914 0.079 0.000 2.358 553 V HA -0.123 3.997 4.120 0.001 0.000 0.246 553 V C 3.318 179.580 176.094 0.280 0.000 1.047 553 V CA 1.921 64.321 62.300 0.167 0.000 1.035 553 V CB -0.888 31.003 31.823 0.113 0.000 0.658 553 V HN 0.465 nan 8.190 nan 0.000 0.452 554 A N -0.241 122.689 122.820 0.184 0.000 1.883 554 A HA -0.229 4.091 4.320 0.001 0.000 0.217 554 A C 2.207 179.873 177.584 0.137 0.000 1.186 554 A CA 1.838 53.975 52.037 0.167 0.000 0.624 554 A CB -0.452 18.638 19.000 0.149 0.000 0.822 554 A HN 0.524 nan 8.150 nan 0.000 0.444 555 E N -1.348 118.933 120.200 0.134 0.000 2.072 555 E HA -0.211 4.139 4.350 0.001 0.000 0.191 555 E C 1.732 178.406 176.600 0.125 0.000 0.985 555 E CA 1.240 57.702 56.400 0.104 0.000 0.801 555 E CB -0.488 29.268 29.700 0.094 0.000 0.750 555 E HN 0.905 nan 8.360 nan 0.000 0.452 556 W N 1.639 122.945 121.300 0.011 0.000 2.358 556 W HA -0.197 4.463 4.660 0.001 0.000 0.303 556 W C 1.997 178.514 176.519 -0.003 0.000 1.208 556 W CA 1.358 58.708 57.345 0.009 0.000 1.274 556 W CB -0.249 29.225 29.460 0.023 0.000 1.138 556 W HN -0.185 nan 8.180 nan 0.000 0.515 557 V N 1.567 121.505 119.914 0.040 0.000 2.332 557 V HA -0.355 3.765 4.120 0.001 0.000 0.248 557 V C 2.347 178.241 176.094 -0.332 0.000 1.055 557 V CA 2.445 64.593 62.300 -0.252 0.000 1.038 557 V CB -0.944 30.837 31.823 -0.070 0.000 0.651 557 V HN 0.178 nan 8.190 nan 0.000 0.450 558 K N -0.279 120.007 120.400 -0.190 0.000 2.147 558 K HA -0.203 4.117 4.320 0.001 0.000 0.205 558 K C 2.224 178.699 176.600 -0.207 0.000 1.049 558 K CA 1.289 57.475 56.287 -0.168 0.000 0.936 558 K CB -0.162 32.286 32.500 -0.087 0.000 0.722 558 K HN 0.275 nan 8.250 nan 0.000 0.446 559 K N 0.713 120.962 120.400 -0.252 0.000 2.211 559 K HA -0.044 4.277 4.320 0.001 0.000 0.203 559 K C 0.281 176.692 176.600 -0.314 0.000 1.050 559 K CA 0.813 56.951 56.287 -0.249 0.000 0.945 559 K CB 0.158 32.523 32.500 -0.225 0.000 0.732 559 K HN 0.052 nan 8.250 nan 0.000 0.451 560 Q N 0.869 120.389 119.800 -0.467 0.000 2.286 560 Q HA -0.036 4.305 4.340 0.001 0.000 0.267 560 Q C 0.169 175.985 176.000 -0.307 0.000 1.028 560 Q CA 0.331 55.867 55.803 -0.444 0.000 0.901 560 Q CB 1.329 29.689 28.738 -0.629 0.000 1.183 560 Q HN 0.113 nan 8.270 nan 0.000 0.392 561 D N 1.738 121.993 120.400 -0.242 0.000 2.194 561 D HA -0.099 4.542 4.640 0.001 0.000 0.204 561 D C -0.421 175.729 176.300 -0.250 0.000 0.964 561 D CA 0.570 54.446 54.000 -0.206 0.000 0.846 561 D CB 0.490 41.197 40.800 -0.156 0.000 0.962 561 D HN 0.410 nan 8.370 nan 0.000 0.490 562 D N -0.361 119.861 120.400 -0.297 0.000 2.378 562 D HA 0.025 4.666 4.640 0.001 0.000 0.238 562 D C -0.234 175.900 176.300 -0.278 0.000 1.180 562 D CA -0.096 53.691 54.000 -0.354 0.000 0.895 562 D CB 1.131 41.737 40.800 -0.323 0.000 1.192 562 D HN -0.174 nan 8.370 nan 0.000 0.438 563 V N 2.549 122.313 119.914 -0.251 0.000 2.455 563 V HA 0.143 4.263 4.120 0.001 0.000 0.273 563 V C 0.646 176.635 176.094 -0.174 0.000 1.045 563 V CA -0.460 61.713 62.300 -0.212 0.000 0.976 563 V CB 0.305 32.016 31.823 -0.186 0.000 0.993 563 V HN 0.263 nan 8.190 nan 0.000 0.475 564 L N 5.326 126.427 121.223 -0.203 0.000 2.421 564 L HA 0.606 4.946 4.340 0.001 0.000 0.263 564 L C -0.218 176.569 176.870 -0.138 0.000 1.122 564 L CA -0.414 54.346 54.840 -0.134 0.000 0.804 564 L CB 1.401 43.365 42.059 -0.159 0.000 1.150 564 L HN 0.514 nan 8.230 nan 0.000 0.457 565 L N 0.609 121.820 121.223 -0.020 0.000 2.386 565 L HA 0.544 4.885 4.340 0.001 0.000 0.271 565 L C -0.902 175.976 176.870 0.014 0.000 0.993 565 L CA -0.076 54.746 54.840 -0.030 0.000 0.819 565 L CB 2.184 44.261 42.059 0.030 0.000 1.294 565 L HN 0.508 nan 8.230 nan 0.000 0.414 566 T N 2.432 116.980 114.554 -0.009 0.000 2.791 566 T HA 0.241 4.592 4.350 0.001 0.000 0.288 566 T C -0.962 173.644 174.700 -0.156 0.000 0.999 566 T CA -0.304 61.803 62.100 0.010 0.000 0.952 566 T CB 1.205 70.237 68.868 0.273 0.000 0.938 566 T HN 0.628 nan 8.240 nan 0.000 0.444 567 D N 1.778 121.940 120.400 -0.397 0.000 2.304 567 D HA 0.326 4.966 4.640 0.001 0.000 0.250 567 D C 1.126 177.236 176.300 -0.317 0.000 1.107 567 D CA -0.248 53.447 54.000 -0.509 0.000 0.885 567 D CB 0.949 41.085 40.800 -1.105 0.000 1.192 567 D HN 0.542 nan 8.370 nan 0.000 0.436 568 T N -1.091 113.328 114.554 -0.225 0.000 3.091 568 T HA 0.084 4.434 4.350 0.001 0.000 0.277 568 T C 1.381 175.984 174.700 -0.161 0.000 0.996 568 T CA -0.261 61.749 62.100 -0.151 0.000 0.897 568 T CB 0.018 68.841 68.868 -0.075 0.000 1.109 568 T HN 0.297 nan 8.240 nan 0.000 0.534 569 T N 1.916 116.323 114.554 -0.245 0.000 2.803 569 T HA -0.016 4.335 4.350 0.001 0.000 0.269 569 T C 0.956 175.597 174.700 -0.098 0.000 1.052 569 T CA 1.126 63.037 62.100 -0.316 0.000 1.136 569 T CB -0.438 68.122 68.868 -0.514 0.000 0.864 569 T HN 0.345 nan 8.240 nan 0.000 0.467 570 F N 0.600 120.468 119.950 -0.137 0.000 2.661 570 F HA 0.293 4.820 4.527 0.001 0.000 0.298 570 F C 2.219 178.086 175.800 0.112 0.000 1.137 570 F CA 0.053 58.054 58.000 0.001 0.000 1.454 570 F CB -0.329 38.656 39.000 -0.026 0.000 1.103 570 F HN 0.017 nan 8.300 nan 0.000 0.577 571 R N -0.200 120.354 120.500 0.090 0.000 3.319 571 R HA 0.067 4.407 4.340 0.001 0.000 0.126 571 R C 1.392 177.446 176.300 -0.410 0.000 1.797 571 R CA 0.467 56.479 56.100 -0.146 0.000 1.391 571 R CB -0.865 29.408 30.300 -0.045 0.000 1.312 571 R HN -0.071 nan 8.270 nan 0.000 0.455 572 D N 1.190 121.471 120.400 -0.197 0.000 2.264 572 D HA 0.047 4.687 4.640 0.001 0.000 0.208 572 D C 1.489 177.713 176.300 -0.126 0.000 0.966 572 D CA 1.175 55.098 54.000 -0.130 0.000 0.864 572 D CB 0.164 40.974 40.800 0.016 0.000 0.933 572 D HN 0.395 nan 8.370 nan 0.000 0.499 573 A N 0.485 123.215 122.820 -0.149 0.000 1.865 573 A HA -0.211 4.110 4.320 0.001 0.000 0.217 573 A C 2.107 179.636 177.584 -0.093 0.000 1.191 573 A CA 1.921 53.894 52.037 -0.106 0.000 0.623 573 A CB -1.074 17.846 19.000 -0.133 0.000 0.826 573 A HN 0.621 nan 8.150 nan 0.000 0.444 574 H N -1.327 117.674 119.070 -0.116 0.000 2.512 574 H HA 0.035 4.592 4.556 0.001 0.000 0.279 574 H C 1.918 177.196 175.328 -0.082 0.000 0.999 574 H CA 1.083 57.055 56.048 -0.126 0.000 1.283 574 H CB -0.435 29.207 29.762 -0.201 0.000 1.421 574 H HN 0.655 nan 8.280 nan 0.000 0.554 575 Q N 1.504 121.042 119.800 -0.437 0.000 2.124 575 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 575 Q C 1.773 177.728 176.000 -0.076 0.000 0.977 575 Q CA 1.956 57.629 55.803 -0.217 0.000 0.850 575 Q CB 0.208 28.818 28.738 -0.214 0.000 0.901 575 Q HN 0.360 nan 8.270 nan 0.000 0.429 576 S N -0.209 115.461 115.700 -0.050 0.000 2.406 576 S HA 0.077 4.548 4.470 0.001 0.000 0.224 576 S C 1.698 176.302 174.600 0.007 0.000 1.030 576 S CA 0.588 58.784 58.200 -0.006 0.000 0.958 576 S CB 0.119 63.351 63.200 0.053 0.000 0.811 576 S HN 0.348 nan 8.310 nan 0.000 0.489 577 L N -0.009 121.223 121.223 0.015 0.000 2.316 577 L HA 0.309 4.649 4.340 0.001 0.000 0.207 577 L C 0.524 177.432 176.870 0.064 0.000 1.070 577 L CA 0.722 55.584 54.840 0.038 0.000 0.820 577 L CB 0.047 42.127 42.059 0.035 0.000 0.992 577 L HN 0.185 nan 8.230 nan 0.000 0.466 578 L N 0.042 121.304 121.223 0.065 0.000 3.209 578 L HA 0.424 4.764 4.340 0.001 0.000 0.279 578 L C 0.772 177.676 176.870 0.058 0.000 1.301 578 L CA -0.306 54.592 54.840 0.096 0.000 1.004 578 L CB 0.625 42.699 42.059 0.024 0.000 1.402 578 L HN 0.132 nan 8.230 nan 0.000 0.577 579 A N -0.322 122.526 122.820 0.047 0.000 2.748 579 A HA -0.290 4.030 4.320 0.001 0.000 0.297 579 A C 1.201 178.757 177.584 -0.048 0.000 1.508 579 A CA 0.999 53.034 52.037 -0.003 0.000 0.799 579 A CB -2.120 16.894 19.000 0.023 0.000 1.011 579 A HN 0.731 nan 8.150 nan 0.000 0.500 580 T N -2.557 112.018 114.554 0.035 0.000 5.060 580 T HA -0.277 4.074 4.350 0.001 0.000 0.309 580 T C 0.823 175.588 174.700 0.108 0.000 1.248 580 T CA 1.599 63.799 62.100 0.167 0.000 2.322 580 T CB -1.160 67.739 68.868 0.051 0.000 1.982 580 T HN 0.904 nan 8.240 nan 0.000 0.955 581 R N 0.164 120.595 120.500 -0.116 0.000 2.299 581 R HA 0.228 4.569 4.340 0.001 0.000 0.197 581 R C 0.959 177.119 176.300 -0.233 0.000 0.971 581 R CA 0.042 56.009 56.100 -0.221 0.000 1.030 581 R CB -0.133 29.815 30.300 -0.586 0.000 0.932 581 R HN 0.482 nan 8.270 nan 0.000 0.477 582 V N 3.460 122.995 119.914 -0.631 0.000 2.557 582 V HA -0.072 4.048 4.120 0.001 0.000 0.301 582 V C 0.980 176.893 176.094 -0.302 0.000 1.026 582 V CA 0.549 62.419 62.300 -0.716 0.000 1.137 582 V CB 0.067 31.296 31.823 -0.990 0.000 0.917 582 V HN 0.157 nan 8.190 nan 0.000 0.484 583 R N 3.046 123.527 120.500 -0.032 0.000 2.549 583 R HA 0.354 4.695 4.340 0.001 0.000 0.267 583 R C 1.390 177.627 176.300 -0.104 0.000 1.045 583 R CA -0.472 55.565 56.100 -0.105 0.000 1.115 583 R CB 0.360 30.535 30.300 -0.208 0.000 1.121 583 R HN 0.688 nan 8.270 nan 0.000 0.543 584 T N 0.946 115.416 114.554 -0.140 0.000 2.720 584 T HA -0.215 4.135 4.350 0.001 0.000 0.268 584 T C 1.675 176.315 174.700 -0.099 0.000 1.037 584 T CA 1.714 63.740 62.100 -0.124 0.000 1.144 584 T CB -0.148 68.655 68.868 -0.108 0.000 0.864 584 T HN 0.467 nan 8.240 nan 0.000 0.444 585 K N 1.565 121.903 120.400 -0.104 0.000 2.059 585 K HA -0.189 4.131 4.320 0.001 0.000 0.212 585 K C 1.837 178.427 176.600 -0.017 0.000 1.050 585 K CA 1.908 58.151 56.287 -0.073 0.000 0.927 585 K CB -0.494 31.940 32.500 -0.110 0.000 0.714 585 K HN 0.248 nan 8.250 nan 0.000 0.447 586 D N -0.375 120.041 120.400 0.027 0.000 2.219 586 D HA -0.110 4.531 4.640 0.001 0.000 0.205 586 D C 1.872 178.224 176.300 0.088 0.000 0.970 586 D CA 1.261 55.314 54.000 0.088 0.000 0.851 586 D CB -0.027 40.874 40.800 0.168 0.000 0.943 586 D HN 0.398 nan 8.370 nan 0.000 0.488 587 M N -0.319 119.305 119.600 0.040 0.000 2.236 587 M HA -0.025 4.455 4.480 0.001 0.000 0.266 587 M C 2.064 178.299 176.300 -0.107 0.000 1.070 587 M CA 0.526 55.757 55.300 -0.114 0.000 1.137 587 M CB 0.149 32.395 32.600 -0.590 0.000 1.378 587 M HN -0.077 nan 8.290 nan 0.000 0.426 588 I N 1.002 121.525 120.570 -0.079 0.000 2.617 588 I HA -0.163 4.007 4.170 0.001 0.000 0.256 588 I C 1.629 177.737 176.117 -0.016 0.000 1.167 588 I CA 1.450 62.728 61.300 -0.036 0.000 1.469 588 I CB -0.405 37.574 38.000 -0.036 0.000 1.098 588 I HN 0.282 nan 8.210 nan 0.000 0.436 589 N N 0.392 119.077 118.700 -0.025 0.000 2.149 589 N HA -0.174 4.567 4.740 0.001 0.000 0.188 589 N C 1.193 176.611 175.510 -0.154 0.000 1.019 589 N CA 1.678 54.697 53.050 -0.053 0.000 0.857 589 N CB -0.125 38.368 38.487 0.009 0.000 0.997 589 N HN 0.388 nan 8.380 nan 0.000 0.426 590 I N -2.389 118.044 120.570 -0.229 0.000 3.941 590 I HA 0.410 4.580 4.170 0.001 0.000 0.335 590 I C 1.500 177.636 176.117 0.031 0.000 1.402 590 I CA -0.391 60.746 61.300 -0.272 0.000 1.112 590 I CB -0.080 37.535 38.000 -0.641 0.000 1.043 590 I HN -0.140 nan 8.210 nan 0.000 0.395 591 A N 1.703 124.590 122.820 0.113 0.000 1.908 591 A HA -0.222 4.099 4.320 0.001 0.000 0.218 591 A C 2.547 180.230 177.584 0.166 0.000 1.181 591 A CA 2.502 54.671 52.037 0.219 0.000 0.627 591 A CB -1.073 18.025 19.000 0.164 0.000 0.818 591 A HN 0.629 nan 8.150 nan 0.000 0.445 592 S N -0.255 115.498 115.700 0.089 0.000 2.383 592 S HA -0.181 4.289 4.470 0.001 0.000 0.227 592 S C 1.887 176.532 174.600 0.075 0.000 1.026 592 S CA 1.669 59.917 58.200 0.081 0.000 0.981 592 S CB -0.263 62.962 63.200 0.042 0.000 0.818 592 S HN 0.461 nan 8.310 nan 0.000 0.472 593 K N 1.595 122.011 120.400 0.026 0.000 2.057 593 K HA 0.034 4.355 4.320 0.001 0.000 0.206 593 K C 2.129 178.731 176.600 0.003 0.000 1.050 593 K CA 1.990 58.273 56.287 -0.006 0.000 0.935 593 K CB -1.287 31.168 32.500 -0.075 0.000 0.715 593 K HN 0.432 nan 8.250 nan 0.000 0.439 594 T N 0.652 115.244 114.554 0.062 0.000 2.684 594 T HA -0.176 4.175 4.350 0.001 0.000 0.267 594 T C 1.828 176.612 174.700 0.140 0.000 1.036 594 T CA 1.648 63.818 62.100 0.117 0.000 1.148 594 T CB -0.667 68.344 68.868 0.237 0.000 0.863 594 T HN 0.384 nan 8.240 nan 0.000 0.436 595 A N 1.499 124.421 122.820 0.170 0.000 1.917 595 A HA -0.235 4.085 4.320 0.001 0.000 0.219 595 A C 2.122 179.760 177.584 0.090 0.000 1.182 595 A CA 2.364 54.507 52.037 0.177 0.000 0.633 595 A CB -0.832 18.297 19.000 0.214 0.000 0.819 595 A HN 0.562 nan 8.150 nan 0.000 0.448 596 D N -1.090 119.355 120.400 0.076 0.000 2.137 596 D HA -0.062 4.578 4.640 0.001 0.000 0.202 596 D C 1.806 178.014 176.300 -0.154 0.000 0.970 596 D CA 1.278 55.270 54.000 -0.012 0.000 0.837 596 D CB -0.080 40.791 40.800 0.120 0.000 0.981 596 D HN 0.126 nan 8.370 nan 0.000 0.475 597 V N -0.162 119.641 119.914 -0.185 0.000 2.295 597 V HA -0.166 3.954 4.120 0.001 0.000 0.246 597 V C 1.550 177.384 176.094 -0.432 0.000 1.049 597 V CA 1.369 63.443 62.300 -0.377 0.000 1.024 597 V CB -0.566 30.913 31.823 -0.574 0.000 0.648 597 V HN 0.230 nan 8.190 nan 0.000 0.447 598 F N 0.627 120.534 119.950 -0.071 0.000 2.660 598 F HA 0.156 4.683 4.527 0.001 0.000 0.297 598 F C 1.982 177.730 175.800 -0.087 0.000 1.132 598 F CA -0.289 57.672 58.000 -0.066 0.000 1.372 598 F CB -0.235 38.730 39.000 -0.059 0.000 1.003 598 F HN 0.162 nan 8.300 nan 0.000 0.524 599 K N -0.513 119.855 120.400 -0.053 0.000 2.160 599 K HA -0.199 4.121 4.320 0.001 0.000 0.206 599 K C 0.416 176.965 176.600 -0.086 0.000 1.047 599 K CA 1.950 58.124 56.287 -0.189 0.000 0.930 599 K CB -0.179 31.977 32.500 -0.572 0.000 0.720 599 K HN 0.153 nan 8.250 nan 0.000 0.450 600 D N 1.050 121.445 120.400 -0.009 0.000 2.349 600 D HA 0.099 4.739 4.640 0.001 0.000 0.214 600 D C 0.667 177.056 176.300 0.149 0.000 1.063 600 D CA 0.261 54.303 54.000 0.069 0.000 0.847 600 D CB 0.382 41.224 40.800 0.070 0.000 0.933 600 D HN 0.384 nan 8.370 nan 0.000 0.513 601 G N 0.145 109.042 108.800 0.161 0.000 2.636 601 G HA2 0.080 4.040 3.960 0.001 0.000 0.246 601 G HA3 0.080 4.040 3.960 0.001 0.000 0.246 601 G C 0.467 175.471 174.900 0.174 0.000 1.216 601 G CA -0.504 44.700 45.100 0.174 0.000 0.854 601 G HN 0.033 nan 8.290 nan 0.000 0.572 602 F N 0.941 120.916 119.950 0.041 0.000 2.094 602 F HA 0.183 4.711 4.527 0.001 0.000 0.291 602 F C 1.409 177.233 175.800 0.041 0.000 1.109 602 F CA 1.237 59.274 58.000 0.063 0.000 1.221 602 F CB 0.007 39.017 39.000 0.016 0.000 1.014 602 F HN 0.593 nan 8.300 nan 0.000 0.473 603 S N -0.370 115.240 115.700 -0.150 0.000 2.570 603 S HA 0.570 5.040 4.470 0.001 0.000 0.270 603 S C -1.341 173.165 174.600 -0.156 0.000 1.149 603 S CA -1.010 57.049 58.200 -0.236 0.000 0.837 603 S CB 1.489 64.498 63.200 -0.318 0.000 1.124 603 S HN 0.144 nan 8.310 nan 0.000 0.465 604 L N 1.654 122.779 121.223 -0.162 0.000 2.272 604 L HA 0.528 4.868 4.340 0.001 0.000 0.289 604 L C 0.334 177.074 176.870 -0.216 0.000 1.032 604 L CA -0.441 54.242 54.840 -0.261 0.000 0.810 604 L CB 1.335 43.216 42.059 -0.298 0.000 1.205 604 L HN 0.797 nan 8.230 nan 0.000 0.422 605 E N 4.403 124.502 120.200 -0.169 0.000 2.180 605 E HA 0.224 4.574 4.350 0.001 0.000 0.283 605 E C -0.031 176.536 176.600 -0.056 0.000 1.061 605 E CA -0.364 55.975 56.400 -0.102 0.000 0.861 605 E CB 0.794 30.448 29.700 -0.076 0.000 1.056 605 E HN 0.622 nan 8.360 nan 0.000 0.407 606 M N 2.557 122.142 119.600 -0.024 0.000 2.313 606 M HA 0.414 4.895 4.480 0.001 0.000 0.400 606 M C -1.088 175.348 176.300 0.227 0.000 0.989 606 M CA -0.495 54.853 55.300 0.079 0.000 0.977 606 M CB 0.325 32.903 32.600 -0.037 0.000 1.808 606 M HN 0.243 nan 8.290 nan 0.000 0.613 607 W N 0.309 121.563 121.300 -0.077 0.000 3.047 607 W HA 0.730 5.391 4.660 0.001 0.000 0.341 607 W C 0.406 176.927 176.519 0.003 0.000 1.225 607 W CA -0.043 57.279 57.345 -0.038 0.000 1.150 607 W CB 1.395 30.822 29.460 -0.055 0.000 1.470 607 W HN 0.660 nan 8.180 nan 0.000 0.578 608 G N 0.812 109.583 108.800 -0.048 0.000 2.698 608 G HA2 0.415 4.375 3.960 0.001 0.000 0.225 608 G HA3 0.415 4.375 3.960 0.001 0.000 0.225 608 G C 0.502 175.395 174.900 -0.011 0.000 1.345 608 G CA 0.582 45.683 45.100 0.001 0.000 0.871 608 G HN 2.185 nan 8.290 nan 0.000 0.540 609 G N -1.843 106.989 108.800 0.053 0.000 2.561 609 G HA2 0.081 4.042 3.960 0.001 0.000 0.289 609 G HA3 0.081 4.042 3.960 0.001 0.000 0.289 609 G C 1.583 176.521 174.900 0.063 0.000 1.169 609 G CA 2.593 47.728 45.100 0.059 0.000 0.980 609 G HN 2.708 nan 8.290 nan 0.000 0.550 610 T N -1.518 113.059 114.554 0.039 0.000 3.086 610 T HA 0.294 4.644 4.350 0.001 0.000 0.250 610 T C 2.255 176.965 174.700 0.017 0.000 1.074 610 T CA 1.800 63.934 62.100 0.057 0.000 0.988 610 T CB -0.258 68.651 68.868 0.068 0.000 0.988 610 T HN 1.497 nan 8.240 nan 0.000 0.530 611 T N -0.258 114.274 114.554 -0.037 0.000 2.737 611 T HA -0.047 4.303 4.350 0.001 0.000 0.265 611 T C 1.507 176.097 174.700 -0.183 0.000 1.038 611 T CA 0.557 62.604 62.100 -0.088 0.000 1.144 611 T CB -0.937 67.864 68.868 -0.112 0.000 0.866 611 T HN 0.275 nan 8.240 nan 0.000 0.434 612 F N 2.928 122.629 119.950 -0.415 0.000 2.095 612 F HA -0.103 4.425 4.527 0.001 0.000 0.298 612 F C 2.113 177.726 175.800 -0.313 0.000 1.104 612 F CA 1.981 59.690 58.000 -0.485 0.000 1.232 612 F CB -0.554 38.165 39.000 -0.468 0.000 0.987 612 F HN 0.213 nan 8.300 nan 0.000 0.475 613 D N -0.327 120.007 120.400 -0.110 0.000 2.077 613 D HA -0.174 4.466 4.640 0.001 0.000 0.193 613 D C 2.222 178.414 176.300 -0.180 0.000 0.989 613 D CA 2.011 55.812 54.000 -0.331 0.000 0.831 613 D CB -0.531 40.135 40.800 -0.224 0.000 0.979 613 D HN 0.134 nan 8.370 nan 0.000 0.449 614 V N 0.925 120.827 119.914 -0.020 0.000 2.332 614 V HA -0.237 3.883 4.120 0.001 0.000 0.248 614 V C 2.604 178.741 176.094 0.072 0.000 1.055 614 V CA 1.910 64.304 62.300 0.156 0.000 1.038 614 V CB -1.078 30.863 31.823 0.197 0.000 0.651 614 V HN 0.395 nan 8.190 nan 0.000 0.450 615 A N -1.118 121.650 122.820 -0.087 0.000 1.859 615 A HA -0.282 4.038 4.320 0.001 0.000 0.217 615 A C 2.115 179.589 177.584 -0.183 0.000 1.198 615 A CA 2.276 54.211 52.037 -0.171 0.000 0.629 615 A CB -0.990 17.807 19.000 -0.338 0.000 0.830 615 A HN 0.582 nan 8.150 nan 0.000 0.446 616 Y N -0.209 119.889 120.300 -0.337 0.000 2.128 616 Y HA -0.245 4.306 4.550 0.001 0.000 0.284 616 Y C 2.791 178.586 175.900 -0.175 0.000 1.154 616 Y CA 1.724 59.595 58.100 -0.382 0.000 1.149 616 Y CB -0.127 38.058 38.460 -0.458 0.000 0.976 616 Y HN 0.509 nan 8.280 nan 0.000 0.505 617 N N -0.462 118.215 118.700 -0.039 0.000 2.131 617 N HA -0.151 4.589 4.740 0.001 0.000 0.190 617 N C 1.671 177.105 175.510 -0.126 0.000 1.055 617 N CA 1.220 54.159 53.050 -0.185 0.000 0.853 617 N CB -0.337 37.862 38.487 -0.480 0.000 1.035 617 N HN 0.151 nan 8.380 nan 0.000 0.440 618 F N 1.149 121.165 119.950 0.110 0.000 2.163 618 F HA 0.071 4.599 4.527 0.001 0.000 0.297 618 F C 2.198 178.192 175.800 0.324 0.000 1.094 618 F CA 0.582 58.691 58.000 0.182 0.000 1.290 618 F CB -0.084 39.017 39.000 0.168 0.000 1.017 618 F HN 0.053 nan 8.300 nan 0.000 0.483 619 L N -0.498 120.998 121.223 0.456 0.000 2.509 619 L HA 0.035 4.375 4.340 0.001 0.000 0.222 619 L C 0.497 177.615 176.870 0.413 0.000 1.123 619 L CA 0.157 55.273 54.840 0.461 0.000 0.856 619 L CB -0.317 41.846 42.059 0.173 0.000 0.985 619 L HN -0.030 nan 8.230 nan 0.000 0.456 620 K N 1.788 122.385 120.400 0.328 0.000 3.156 620 K HA -0.196 4.124 4.320 0.001 0.000 0.266 620 K C -0.111 176.711 176.600 0.369 0.000 0.966 620 K CA 0.921 57.440 56.287 0.387 0.000 0.719 620 K CB -1.751 30.991 32.500 0.403 0.000 1.333 620 K HN 0.731 nan 8.250 nan 0.000 0.468 621 E N -1.065 119.208 120.200 0.121 0.000 2.317 621 E HA 0.320 4.670 4.350 0.001 0.000 0.270 621 E C -0.681 175.732 176.600 -0.312 0.000 0.885 621 E CA -0.977 55.432 56.400 0.015 0.000 0.760 621 E CB 1.356 31.012 29.700 -0.073 0.000 1.227 621 E HN 0.194 nan 8.360 nan 0.000 0.434 622 N N 3.372 121.912 118.700 -0.266 0.000 2.438 622 N HA 0.027 4.768 4.740 0.001 0.000 0.267 622 N C -1.416 173.873 175.510 -0.369 0.000 1.222 622 N CA -1.588 51.183 53.050 -0.466 0.000 0.930 622 N CB 0.777 39.262 38.487 -0.002 0.000 1.083 622 N HN 0.404 nan 8.380 nan 0.000 0.476 623 P HA -0.119 nan 4.420 nan 0.000 0.223 623 P C 0.571 177.981 177.300 0.184 0.000 1.151 623 P CA 1.040 63.958 63.100 -0.304 0.000 0.787 623 P CB 0.019 31.263 31.700 -0.759 0.000 0.788 624 W N 1.329 122.745 121.300 0.192 0.000 2.381 624 W HA -0.052 4.608 4.660 0.001 0.000 0.301 624 W C 2.470 179.047 176.519 0.097 0.000 1.205 624 W CA 0.792 58.302 57.345 0.275 0.000 1.285 624 W CB -0.726 28.888 29.460 0.256 0.000 1.133 624 W HN 0.037 nan 8.180 nan 0.000 0.521 625 E N 0.027 120.389 120.200 0.270 0.000 2.150 625 E HA -0.207 4.144 4.350 0.001 0.000 0.193 625 E C 2.122 178.774 176.600 0.086 0.000 0.985 625 E CA 0.854 57.343 56.400 0.149 0.000 0.814 625 E CB -0.298 29.468 29.700 0.110 0.000 0.752 625 E HN 0.274 nan 8.360 nan 0.000 0.466 626 R N 0.966 121.510 120.500 0.073 0.000 2.073 626 R HA -0.183 4.157 4.340 0.001 0.000 0.234 626 R C 2.463 178.777 176.300 0.023 0.000 1.134 626 R CA 1.186 57.309 56.100 0.038 0.000 0.952 626 R CB -0.293 30.043 30.300 0.060 0.000 0.850 626 R HN 0.145 nan 8.270 nan 0.000 0.433 627 L N 1.550 122.762 121.223 -0.018 0.000 2.012 627 L HA -0.157 4.183 4.340 0.001 0.000 0.210 627 L C 1.731 178.594 176.870 -0.012 0.000 1.073 627 L CA 1.961 56.672 54.840 -0.215 0.000 0.748 627 L CB -0.556 41.044 42.059 -0.765 0.000 0.891 627 L HN 0.247 nan 8.230 nan 0.000 0.431 628 E N -0.905 119.312 120.200 0.027 0.000 2.072 628 E HA -0.162 4.189 4.350 0.001 0.000 0.190 628 E C 2.301 178.926 176.600 0.041 0.000 0.982 628 E CA 0.911 57.334 56.400 0.037 0.000 0.803 628 E CB -0.106 29.632 29.700 0.064 0.000 0.755 628 E HN 0.452 nan 8.360 nan 0.000 0.453 629 R N 0.387 120.916 120.500 0.049 0.000 2.092 629 R HA -0.055 4.285 4.340 0.001 0.000 0.231 629 R C 2.426 178.768 176.300 0.069 0.000 1.119 629 R CA 0.698 56.824 56.100 0.042 0.000 0.970 629 R CB -0.212 30.103 30.300 0.026 0.000 0.864 629 R HN 0.204 nan 8.270 nan 0.000 0.440 630 L N 0.156 121.447 121.223 0.112 0.000 2.093 630 L HA -0.153 4.187 4.340 0.001 0.000 0.208 630 L C 2.727 179.810 176.870 0.355 0.000 1.085 630 L CA 0.951 55.930 54.840 0.232 0.000 0.755 630 L CB -0.330 41.852 42.059 0.205 0.000 0.904 630 L HN 0.066 nan 8.230 nan 0.000 0.435 631 R N 0.561 121.184 120.500 0.205 0.000 2.080 631 R HA -0.194 4.147 4.340 0.001 0.000 0.236 631 R C 2.215 178.459 176.300 -0.093 0.000 1.137 631 R CA 1.510 57.515 56.100 -0.158 0.000 0.943 631 R CB -0.489 29.675 30.300 -0.227 0.000 0.846 631 R HN 0.284 nan 8.270 nan 0.000 0.431 632 K N -0.307 120.077 120.400 -0.026 0.000 2.147 632 K HA -0.075 4.246 4.320 0.001 0.000 0.205 632 K C 1.732 178.339 176.600 0.011 0.000 1.049 632 K CA 1.426 57.701 56.287 -0.019 0.000 0.936 632 K CB 0.032 32.527 32.500 -0.007 0.000 0.722 632 K HN 0.170 nan 8.250 nan 0.000 0.446 633 A N 0.377 123.230 122.820 0.055 0.000 2.030 633 A HA 0.116 4.437 4.320 0.001 0.000 0.215 633 A C 1.091 178.749 177.584 0.124 0.000 1.164 633 A CA 0.470 52.556 52.037 0.082 0.000 0.697 633 A CB 0.226 19.282 19.000 0.094 0.000 0.827 633 A HN 0.235 nan 8.150 nan 0.000 0.457 634 I N 0.533 121.202 120.570 0.165 0.000 2.859 634 I HA 0.211 4.382 4.170 0.001 0.000 0.296 634 I C -2.153 173.996 176.117 0.054 0.000 1.300 634 I CA -1.308 60.118 61.300 0.209 0.000 1.020 634 I CB 1.725 39.982 38.000 0.428 0.000 1.823 634 I HN 0.038 nan 8.210 nan 0.000 0.599 635 P HA 0.044 nan 4.420 nan 0.000 0.257 635 P C 0.410 177.670 177.300 -0.068 0.000 1.281 635 P CA 0.646 63.688 63.100 -0.097 0.000 0.826 635 P CB 0.094 31.756 31.700 -0.064 0.000 1.237 636 N N -0.530 118.175 118.700 0.008 0.000 2.407 636 N HA 0.032 4.772 4.740 0.001 0.000 0.182 636 N C 0.163 175.663 175.510 -0.017 0.000 1.079 636 N CA 0.259 53.322 53.050 0.021 0.000 0.882 636 N CB -0.045 38.514 38.487 0.119 0.000 1.106 636 N HN -0.100 nan 8.380 nan 0.000 0.461 637 V N 1.986 121.913 119.914 0.023 0.000 2.630 637 V HA 0.377 4.498 4.120 0.001 0.000 0.305 637 V C 0.648 176.753 176.094 0.018 0.000 1.046 637 V CA -1.040 61.272 62.300 0.021 0.000 0.934 637 V CB 2.148 34.026 31.823 0.093 0.000 1.003 637 V HN 0.065 nan 8.190 nan 0.000 0.451 638 L N 3.426 124.595 121.223 -0.089 0.000 2.490 638 L HA 0.164 4.504 4.340 0.001 0.000 0.274 638 L C -0.513 176.432 176.870 0.126 0.000 1.201 638 L CA 0.351 55.124 54.840 -0.112 0.000 0.869 638 L CB -0.057 41.792 42.059 -0.349 0.000 1.123 638 L HN 0.448 nan 8.230 nan 0.000 0.484 639 F N 2.287 122.118 119.950 -0.199 0.000 2.410 639 F HA 0.394 4.921 4.527 0.001 0.000 0.349 639 F C 0.397 176.068 175.800 -0.215 0.000 1.117 639 F CA -0.656 57.240 58.000 -0.174 0.000 1.104 639 F CB 1.349 40.245 39.000 -0.172 0.000 1.122 639 F HN 0.428 nan 8.300 nan 0.000 0.483 640 Q N 4.620 124.383 119.800 -0.060 0.000 2.365 640 Q HA 0.743 5.083 4.340 0.001 0.000 0.269 640 Q C -1.200 174.756 176.000 -0.073 0.000 1.061 640 Q CA -0.909 54.834 55.803 -0.100 0.000 0.816 640 Q CB 2.297 31.005 28.738 -0.050 0.000 1.325 640 Q HN 0.748 nan 8.270 nan 0.000 0.446 641 M N 1.372 120.921 119.600 -0.084 0.000 2.690 641 M HA 0.554 5.035 4.480 0.001 0.000 0.302 641 M C -1.644 174.697 176.300 0.068 0.000 1.234 641 M CA -1.207 54.119 55.300 0.044 0.000 0.853 641 M CB 1.447 34.152 32.600 0.174 0.000 1.748 641 M HN 0.504 nan 8.290 nan 0.000 0.469 642 L N 2.207 123.487 121.223 0.095 0.000 2.292 642 L HA 0.711 5.051 4.340 0.001 0.000 0.284 642 L C -1.692 175.338 176.870 0.266 0.000 1.065 642 L CA -0.455 54.463 54.840 0.130 0.000 0.806 642 L CB 1.377 43.454 42.059 0.029 0.000 1.175 642 L HN 0.793 nan 8.230 nan 0.000 0.431 643 L N 5.460 126.895 121.223 0.353 0.000 2.415 643 L HA 0.500 4.840 4.340 0.001 0.000 0.268 643 L C -0.307 176.723 176.870 0.266 0.000 0.984 643 L CA -0.265 54.783 54.840 0.347 0.000 0.853 643 L CB 1.114 43.405 42.059 0.388 0.000 1.215 643 L HN 0.667 nan 8.230 nan 0.000 0.419 644 R N 2.912 123.498 120.500 0.145 0.000 2.442 644 R HA 0.364 4.705 4.340 0.001 0.000 0.291 644 R C 1.167 177.362 176.300 -0.174 0.000 1.069 644 R CA 0.728 56.672 56.100 -0.259 0.000 1.022 644 R CB 1.341 31.539 30.300 -0.170 0.000 0.976 644 R HN 0.896 nan 8.270 nan 0.000 0.443 645 A N 3.014 125.667 122.820 -0.279 0.000 1.902 645 A HA -0.157 4.163 4.320 0.001 0.000 0.217 645 A C 2.094 179.639 177.584 -0.066 0.000 1.181 645 A CA 1.866 53.832 52.037 -0.119 0.000 0.623 645 A CB -0.385 18.543 19.000 -0.119 0.000 0.818 645 A HN 0.774 nan 8.150 nan 0.000 0.443 646 S N 0.138 115.794 115.700 -0.074 0.000 2.325 646 S HA -0.105 4.366 4.470 0.001 0.000 0.214 646 S C 1.617 176.234 174.600 0.027 0.000 1.031 646 S CA 1.455 59.646 58.200 -0.016 0.000 0.972 646 S CB -0.366 62.831 63.200 -0.005 0.000 0.908 646 S HN 0.766 nan 8.310 nan 0.000 0.453 647 N N 1.119 119.839 118.700 0.033 0.000 2.353 647 N HA 0.453 5.194 4.740 0.001 0.000 0.185 647 N C 0.934 176.487 175.510 0.072 0.000 1.098 647 N CA 0.848 53.983 53.050 0.140 0.000 0.872 647 N CB -0.048 38.505 38.487 0.109 0.000 0.970 647 N HN 0.415 nan 8.380 nan 0.000 0.467 648 A N -0.197 122.631 122.820 0.012 0.000 1.315 648 A HA -0.308 4.012 4.320 0.001 0.000 0.333 648 A C 1.218 178.776 177.584 -0.044 0.000 1.730 648 A CA 2.223 54.258 52.037 -0.004 0.000 1.091 648 A CB -1.570 17.383 19.000 -0.078 0.000 1.471 648 A HN 0.401 nan 8.150 nan 0.000 0.722 649 V N -0.695 119.066 119.914 -0.254 0.000 3.400 649 V HA 0.521 4.641 4.120 0.001 0.000 0.281 649 V C 1.051 177.137 176.094 -0.013 0.000 1.617 649 V CA 1.353 63.524 62.300 -0.215 0.000 1.044 649 V CB 0.368 31.831 31.823 -0.601 0.000 0.858 649 V HN 1.670 nan 8.190 nan 0.000 0.425 650 G N -0.641 108.135 108.800 -0.041 0.000 2.537 650 G HA2 0.433 4.394 3.960 0.001 0.000 0.297 650 G HA3 0.433 4.394 3.960 0.001 0.000 0.297 650 G C -0.202 174.834 174.900 0.227 0.000 1.310 650 G CA 0.202 45.321 45.100 0.030 0.000 1.027 650 G HN 0.367 nan 8.290 nan 0.000 0.505 651 Y N -1.015 119.241 120.300 -0.073 0.000 2.780 651 Y HA 0.649 5.199 4.550 0.001 0.000 0.449 651 Y C 1.274 177.070 175.900 -0.173 0.000 1.395 651 Y CA -1.109 56.974 58.100 -0.027 0.000 1.864 651 Y CB -0.717 37.751 38.460 0.013 0.000 1.728 651 Y HN 0.746 nan 8.280 nan 0.000 0.686 652 K N -0.540 119.541 120.400 -0.532 0.000 1.800 652 K HA -0.317 4.004 4.320 0.001 0.000 0.567 652 K C -1.334 174.853 176.600 -0.689 0.000 1.766 652 K CA 1.504 57.304 56.287 -0.811 0.000 0.996 652 K CB -0.847 30.783 32.500 -1.451 0.000 1.627 652 K HN 0.964 nan 8.250 nan 0.000 0.691 653 N N -0.974 117.267 118.700 -0.764 0.000 2.240 653 N HA 0.542 5.282 4.740 0.001 0.000 0.302 653 N C -1.682 173.379 175.510 -0.749 0.000 1.106 653 N CA -0.654 52.050 53.050 -0.578 0.000 0.778 653 N CB 1.211 39.541 38.487 -0.261 0.000 1.431 653 N HN 0.301 nan 8.380 nan 0.000 0.479 654 Y N -0.213 120.015 120.300 -0.120 0.000 2.512 654 Y HA 0.491 5.041 4.550 0.001 0.000 0.348 654 Y C -2.268 173.598 175.900 -0.057 0.000 0.990 654 Y CA -2.223 55.816 58.100 -0.101 0.000 1.033 654 Y CB 1.375 39.774 38.460 -0.103 0.000 1.259 654 Y HN 0.387 nan 8.280 nan 0.000 0.461 655 P HA 0.034 nan 4.420 nan 0.000 0.270 655 P C 0.004 177.354 177.300 0.083 0.000 1.223 655 P CA 0.078 63.208 63.100 0.050 0.000 0.785 655 P CB 0.914 32.617 31.700 0.004 0.000 0.923 656 D N 0.980 121.411 120.400 0.051 0.000 2.133 656 D HA -0.186 4.455 4.640 0.001 0.000 0.195 656 D C 1.483 177.893 176.300 0.184 0.000 0.997 656 D CA 1.431 55.490 54.000 0.098 0.000 0.840 656 D CB -0.643 40.182 40.800 0.043 0.000 0.947 656 D HN 0.506 nan 8.370 nan 0.000 0.452 657 N N 0.773 119.552 118.700 0.131 0.000 2.519 657 N HA -0.111 4.629 4.740 0.001 0.000 0.186 657 N C 1.579 177.332 175.510 0.405 0.000 1.062 657 N CA 0.568 53.748 53.050 0.216 0.000 0.910 657 N CB -0.475 38.100 38.487 0.147 0.000 0.958 657 N HN 0.147 nan 8.380 nan 0.000 0.445 658 V N 0.769 120.876 119.914 0.321 0.000 2.407 658 V HA -0.064 4.056 4.120 0.001 0.000 0.245 658 V C 2.342 178.552 176.094 0.192 0.000 1.041 658 V CA 0.810 63.299 62.300 0.315 0.000 1.040 658 V CB -0.420 31.483 31.823 0.133 0.000 0.671 658 V HN 0.099 nan 8.190 nan 0.000 0.455 659 I N -0.239 120.428 120.570 0.162 0.000 2.226 659 I HA -0.228 3.942 4.170 0.001 0.000 0.245 659 I C 2.394 178.579 176.117 0.115 0.000 1.100 659 I CA 1.720 63.101 61.300 0.135 0.000 1.374 659 I CB -0.573 37.473 38.000 0.075 0.000 1.057 659 I HN 0.311 nan 8.210 nan 0.000 0.413 660 H N 0.144 119.261 119.070 0.078 0.000 2.270 660 H HA -0.211 4.346 4.556 0.001 0.000 0.299 660 H C 2.224 177.569 175.328 0.027 0.000 1.077 660 H CA 1.974 58.043 56.048 0.034 0.000 1.294 660 H CB -0.152 29.631 29.762 0.035 0.000 1.371 660 H HN 0.056 nan 8.280 nan 0.000 0.491 661 K N 0.107 120.604 120.400 0.163 0.000 2.089 661 K HA -0.197 4.124 4.320 0.001 0.000 0.210 661 K C 1.982 178.628 176.600 0.077 0.000 1.048 661 K CA 1.597 57.875 56.287 -0.016 0.000 0.926 661 K CB -0.543 31.755 32.500 -0.337 0.000 0.714 661 K HN 0.240 nan 8.250 nan 0.000 0.448 662 F N -0.046 119.914 119.950 0.016 0.000 2.113 662 F HA -0.093 4.434 4.527 0.001 0.000 0.297 662 F C 1.714 177.610 175.800 0.160 0.000 1.103 662 F CA 1.164 59.228 58.000 0.106 0.000 1.248 662 F CB -0.413 38.599 39.000 0.020 0.000 0.999 662 F HN -0.148 nan 8.300 nan 0.000 0.475 663 V N 0.496 120.329 119.914 -0.134 0.000 2.358 663 V HA -0.306 3.814 4.120 0.001 0.000 0.246 663 V C 2.325 178.319 176.094 -0.165 0.000 1.047 663 V CA 2.160 64.276 62.300 -0.307 0.000 1.035 663 V CB -0.851 30.717 31.823 -0.424 0.000 0.658 663 V HN 0.374 nan 8.190 nan 0.000 0.452 664 Q N -0.582 119.170 119.800 -0.080 0.000 2.096 664 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 664 Q C 2.379 178.382 176.000 0.004 0.000 0.982 664 Q CA 1.651 57.436 55.803 -0.029 0.000 0.850 664 Q CB -0.127 28.604 28.738 -0.011 0.000 0.901 664 Q HN 0.573 nan 8.270 nan 0.000 0.422 665 E N -0.218 120.000 120.200 0.029 0.000 2.112 665 E HA -0.044 4.306 4.350 0.001 0.000 0.190 665 E C 2.139 178.875 176.600 0.226 0.000 0.979 665 E CA 0.673 57.107 56.400 0.057 0.000 0.814 665 E CB 0.019 29.709 29.700 -0.016 0.000 0.762 665 E HN 0.173 nan 8.360 nan 0.000 0.460 666 S N 1.185 117.046 115.700 0.269 0.000 2.356 666 S HA -0.118 4.352 4.470 0.001 0.000 0.223 666 S C 2.115 176.816 174.600 0.168 0.000 1.032 666 S CA 1.119 59.456 58.200 0.229 0.000 1.005 666 S CB -0.164 63.069 63.200 0.056 0.000 0.867 666 S HN 0.380 nan 8.310 nan 0.000 0.449 667 A N 1.601 124.571 122.820 0.251 0.000 1.933 667 A HA -0.113 4.207 4.320 0.001 0.000 0.218 667 A C 2.035 179.666 177.584 0.080 0.000 1.175 667 A CA 1.603 53.778 52.037 0.231 0.000 0.628 667 A CB -0.463 18.676 19.000 0.232 0.000 0.814 667 A HN 0.432 nan 8.150 nan 0.000 0.444 668 K N -0.364 120.070 120.400 0.056 0.000 2.057 668 K HA -0.074 4.246 4.320 0.001 0.000 0.207 668 K C 2.081 178.681 176.600 -0.001 0.000 1.049 668 K CA 1.184 57.478 56.287 0.013 0.000 0.931 668 K CB -0.266 32.232 32.500 -0.003 0.000 0.714 668 K HN 0.385 nan 8.250 nan 0.000 0.440 669 A N -0.448 122.394 122.820 0.036 0.000 2.014 669 A HA 0.070 4.391 4.320 0.001 0.000 0.218 669 A C 1.599 179.145 177.584 -0.063 0.000 1.163 669 A CA 1.685 53.738 52.037 0.027 0.000 0.652 669 A CB -0.017 19.095 19.000 0.187 0.000 0.808 669 A HN 0.572 nan 8.150 nan 0.000 0.449 670 G N -2.083 106.656 108.800 -0.101 0.000 3.655 670 G HA2 0.074 4.035 3.960 0.001 0.000 0.219 670 G HA3 0.074 4.035 3.960 0.001 0.000 0.219 670 G C 0.059 174.857 174.900 -0.170 0.000 0.933 670 G CA -0.080 44.909 45.100 -0.185 0.000 0.856 670 G HN 0.148 nan 8.290 nan 0.000 0.523 671 I N 2.310 122.788 120.570 -0.153 0.000 2.813 671 I HA 0.244 4.414 4.170 0.001 0.000 0.287 671 I C 0.302 176.285 176.117 -0.223 0.000 1.196 671 I CA 0.670 61.825 61.300 -0.241 0.000 1.421 671 I CB 0.679 38.380 38.000 -0.500 0.000 1.365 671 I HN 0.122 nan 8.210 nan 0.000 0.591 672 D N 3.210 123.459 120.400 -0.252 0.000 2.403 672 D HA 0.098 4.738 4.640 0.001 0.000 0.280 672 D C -0.031 176.214 176.300 -0.092 0.000 1.091 672 D CA 0.577 54.504 54.000 -0.122 0.000 0.884 672 D CB 1.131 41.864 40.800 -0.112 0.000 1.427 672 D HN 0.229 nan 8.370 nan 0.000 0.504 673 V N 2.060 121.850 119.914 -0.207 0.000 2.409 673 V HA 0.360 4.480 4.120 0.001 0.000 0.291 673 V C -0.941 175.041 176.094 -0.187 0.000 1.020 673 V CA -0.602 61.673 62.300 -0.042 0.000 0.848 673 V CB 1.294 33.135 31.823 0.031 0.000 0.990 673 V HN -0.074 nan 8.190 nan 0.000 0.430 674 F N 3.723 123.759 119.950 0.143 0.000 2.347 674 F HA 0.500 5.027 4.527 0.001 0.000 0.366 674 F C 0.690 176.580 175.800 0.150 0.000 1.107 674 F CA -0.538 57.546 58.000 0.139 0.000 1.058 674 F CB 1.160 40.237 39.000 0.130 0.000 1.236 674 F HN 0.359 nan 8.300 nan 0.000 0.456 675 R N 4.897 125.534 120.500 0.228 0.000 2.291 675 R HA 0.404 4.744 4.340 0.001 0.000 0.333 675 R C -0.869 175.576 176.300 0.241 0.000 1.082 675 R CA -0.080 56.113 56.100 0.156 0.000 0.948 675 R CB 0.021 30.323 30.300 0.003 0.000 1.009 675 R HN 0.663 nan 8.270 nan 0.000 0.460 676 I N 6.957 127.664 120.570 0.228 0.000 2.321 676 I HA 0.294 4.465 4.170 0.001 0.000 0.291 676 I C -0.396 175.836 176.117 0.191 0.000 0.998 676 I CA -0.716 60.722 61.300 0.230 0.000 1.227 676 I CB 0.819 38.975 38.000 0.261 0.000 1.368 676 I HN 0.498 nan 8.210 nan 0.000 0.466 677 F N 4.095 124.062 119.950 0.028 0.000 2.588 677 F HA 0.700 5.227 4.527 0.001 0.000 0.314 677 F C -1.165 174.669 175.800 0.057 0.000 1.069 677 F CA -1.283 56.727 58.000 0.017 0.000 0.931 677 F CB 1.308 40.318 39.000 0.017 0.000 1.260 677 F HN 0.329 nan 8.300 nan 0.000 0.465 678 D N 0.765 121.114 120.400 -0.085 0.000 2.248 678 D HA 0.411 5.051 4.640 0.001 0.000 0.246 678 D C 0.152 176.480 176.300 0.046 0.000 1.027 678 D CA -0.529 53.391 54.000 -0.133 0.000 0.853 678 D CB 2.293 43.123 40.800 0.051 0.000 1.243 678 D HN 0.573 nan 8.370 nan 0.000 0.462 679 S N 1.923 117.624 115.700 0.002 0.000 2.474 679 S HA -0.004 4.466 4.470 0.001 0.000 0.235 679 S C 1.275 175.979 174.600 0.173 0.000 0.997 679 S CA 0.614 58.911 58.200 0.161 0.000 0.949 679 S CB -0.070 63.201 63.200 0.118 0.000 0.766 679 S HN 0.535 nan 8.310 nan 0.000 0.517 680 L N 0.631 121.960 121.223 0.178 0.000 3.184 680 L HA 0.347 4.687 4.340 0.001 0.000 0.283 680 L C -0.254 176.756 176.870 0.232 0.000 1.218 680 L CA -0.242 54.701 54.840 0.173 0.000 1.028 680 L CB 0.001 42.138 42.059 0.130 0.000 1.400 680 L HN 0.029 nan 8.230 nan 0.000 0.591 681 N N -0.116 118.739 118.700 0.258 0.000 2.754 681 N HA -0.222 4.519 4.740 0.001 0.000 0.248 681 N C -0.840 174.861 175.510 0.317 0.000 1.093 681 N CA 0.634 53.854 53.050 0.282 0.000 0.699 681 N CB -1.100 37.602 38.487 0.358 0.000 1.016 681 N HN 0.426 nan 8.380 nan 0.000 0.552 682 W N 0.956 122.300 121.300 0.073 0.000 2.308 682 W HA 0.478 5.138 4.660 0.001 0.000 0.311 682 W C 1.011 177.554 176.519 0.040 0.000 1.088 682 W CA -0.924 56.450 57.345 0.049 0.000 1.309 682 W CB 0.311 29.791 29.460 0.033 0.000 1.229 682 W HN -0.056 nan 8.180 nan 0.000 0.427 683 V N 5.283 125.199 119.914 0.003 0.000 2.407 683 V HA -0.301 3.820 4.120 0.001 0.000 0.248 683 V C 1.681 177.596 176.094 -0.298 0.000 1.055 683 V CA 2.274 64.515 62.300 -0.098 0.000 1.049 683 V CB -0.633 31.181 31.823 -0.015 0.000 0.662 683 V HN 0.446 nan 8.190 nan 0.000 0.455 684 D N -0.301 119.690 120.400 -0.683 0.000 2.149 684 D HA -0.183 4.457 4.640 0.001 0.000 0.198 684 D C 2.311 178.226 176.300 -0.643 0.000 0.990 684 D CA 1.081 54.639 54.000 -0.736 0.000 0.839 684 D CB -0.244 39.932 40.800 -1.039 0.000 0.948 684 D HN 0.423 nan 8.370 nan 0.000 0.460 685 Q N -0.685 118.676 119.800 -0.732 0.000 2.224 685 Q HA -0.022 4.319 4.340 0.001 0.000 0.203 685 Q C 1.941 177.840 176.000 -0.169 0.000 0.970 685 Q CA 0.741 56.332 55.803 -0.354 0.000 0.865 685 Q CB -0.026 28.614 28.738 -0.163 0.000 0.922 685 Q HN 0.443 nan 8.270 nan 0.000 0.445 686 M N -0.402 119.123 119.600 -0.124 0.000 2.506 686 M HA -0.061 4.419 4.480 0.001 0.000 0.260 686 M C 1.695 178.022 176.300 0.045 0.000 1.104 686 M CA 0.804 56.114 55.300 0.018 0.000 1.112 686 M CB 0.062 32.723 32.600 0.101 0.000 1.401 686 M HN -0.031 nan 8.290 nan 0.000 0.473 687 K N 0.273 120.644 120.400 -0.049 0.000 2.097 687 K HA -0.102 4.219 4.320 0.001 0.000 0.206 687 K C 1.918 178.467 176.600 -0.085 0.000 1.049 687 K CA 1.127 57.368 56.287 -0.076 0.000 0.933 687 K CB -0.250 32.185 32.500 -0.107 0.000 0.717 687 K HN 0.137 nan 8.250 nan 0.000 0.442 688 V N 1.304 121.176 119.914 -0.070 0.000 2.261 688 V HA -0.282 3.839 4.120 0.001 0.000 0.246 688 V C 2.343 178.369 176.094 -0.113 0.000 1.047 688 V CA 2.145 64.417 62.300 -0.046 0.000 1.015 688 V CB -0.688 31.127 31.823 -0.014 0.000 0.642 688 V HN 0.389 nan 8.190 nan 0.000 0.446 689 A N 0.237 123.000 122.820 -0.094 0.000 1.883 689 A HA -0.309 4.011 4.320 0.001 0.000 0.217 689 A C 2.067 179.548 177.584 -0.172 0.000 1.186 689 A CA 2.383 54.345 52.037 -0.124 0.000 0.624 689 A CB -0.943 18.045 19.000 -0.019 0.000 0.822 689 A HN 0.609 nan 8.150 nan 0.000 0.444 690 N N 0.063 118.682 118.700 -0.134 0.000 2.037 690 N HA -0.214 4.527 4.740 0.001 0.000 0.196 690 N C 1.638 176.971 175.510 -0.294 0.000 1.034 690 N CA 2.279 55.149 53.050 -0.300 0.000 0.861 690 N CB -0.420 37.694 38.487 -0.620 0.000 1.039 690 N HN 0.650 nan 8.380 nan 0.000 0.427 691 E N -0.491 119.569 120.200 -0.233 0.000 2.118 691 E HA -0.153 4.198 4.350 0.001 0.000 0.195 691 E C 1.915 178.412 176.600 -0.171 0.000 0.992 691 E CA 1.141 57.447 56.400 -0.156 0.000 0.804 691 E CB -0.227 29.440 29.700 -0.056 0.000 0.741 691 E HN 0.522 nan 8.360 nan 0.000 0.458 692 A N 0.773 123.377 122.820 -0.360 0.000 1.902 692 A HA -0.136 4.184 4.320 0.001 0.000 0.217 692 A C 2.474 179.858 177.584 -0.333 0.000 1.181 692 A CA 1.137 52.870 52.037 -0.507 0.000 0.623 692 A CB -0.506 18.003 19.000 -0.818 0.000 0.818 692 A HN 0.119 nan 8.150 nan 0.000 0.443 693 V N 0.072 119.777 119.914 -0.348 0.000 2.358 693 V HA -0.238 3.883 4.120 0.001 0.000 0.246 693 V C 2.660 178.690 176.094 -0.107 0.000 1.047 693 V CA 1.849 63.960 62.300 -0.315 0.000 1.035 693 V CB -0.801 30.853 31.823 -0.281 0.000 0.658 693 V HN 0.540 nan 8.190 nan 0.000 0.452 694 Q N 0.211 119.952 119.800 -0.098 0.000 2.135 694 Q HA -0.254 4.086 4.340 0.001 0.000 0.204 694 Q C 2.113 178.109 176.000 -0.007 0.000 0.981 694 Q CA 1.729 57.519 55.803 -0.022 0.000 0.856 694 Q CB -0.294 28.395 28.738 -0.082 0.000 0.902 694 Q HN 0.721 nan 8.270 nan 0.000 0.425 695 E N -0.099 120.081 120.200 -0.035 0.000 2.427 695 E HA 0.017 4.368 4.350 0.001 0.000 0.196 695 E C 1.263 177.858 176.600 -0.008 0.000 1.028 695 E CA 0.519 56.914 56.400 -0.008 0.000 0.864 695 E CB 0.177 29.889 29.700 0.019 0.000 0.813 695 E HN 0.268 nan 8.360 nan 0.000 0.514 696 A N 0.214 123.019 122.820 -0.025 0.000 2.308 696 A HA 0.338 4.659 4.320 0.001 0.000 0.217 696 A C 1.558 179.156 177.584 0.023 0.000 1.216 696 A CA 0.481 52.513 52.037 -0.008 0.000 0.864 696 A CB -0.118 18.862 19.000 -0.034 0.000 0.902 696 A HN 0.243 nan 8.150 nan 0.000 0.499 697 G N -0.004 108.813 108.800 0.029 0.000 2.221 697 G HA2 -0.238 3.723 3.960 0.001 0.000 0.265 697 G HA3 -0.238 3.723 3.960 0.001 0.000 0.265 697 G C 0.064 174.994 174.900 0.051 0.000 1.041 697 G CA 0.717 45.836 45.100 0.032 0.000 0.807 697 G HN 0.423 nan 8.290 nan 0.000 0.502 698 K N -0.697 119.772 120.400 0.114 0.000 2.258 698 K HA 0.633 4.953 4.320 0.001 0.000 0.236 698 K C 0.709 177.460 176.600 0.251 0.000 1.008 698 K CA -1.187 55.212 56.287 0.187 0.000 0.869 698 K CB 1.435 34.154 32.500 0.366 0.000 1.171 698 K HN 0.170 nan 8.250 nan 0.000 0.447 699 I N 0.943 121.673 120.570 0.267 0.000 2.471 699 I HA 0.008 4.179 4.170 0.001 0.000 0.286 699 I C 0.604 177.044 176.117 0.538 0.000 1.079 699 I CA 0.187 61.712 61.300 0.375 0.000 1.398 699 I CB 0.947 39.108 38.000 0.268 0.000 1.403 699 I HN 0.246 nan 8.210 nan 0.000 0.530 700 S N 6.295 122.400 115.700 0.675 0.000 2.474 700 S HA 0.324 4.794 4.470 0.001 0.000 0.321 700 S C -0.442 174.441 174.600 0.472 0.000 1.080 700 S CA -0.712 57.749 58.200 0.435 0.000 1.106 700 S CB 0.425 63.695 63.200 0.117 0.000 0.984 700 S HN 0.518 nan 8.310 nan 0.000 0.464 701 E N 2.840 123.282 120.200 0.402 0.000 2.156 701 E HA 0.412 4.762 4.350 0.001 0.000 0.279 701 E C 0.121 176.708 176.600 -0.022 0.000 0.965 701 E CA -0.621 55.917 56.400 0.231 0.000 0.789 701 E CB 1.474 31.266 29.700 0.153 0.000 1.098 701 E HN 0.678 nan 8.360 nan 0.000 0.397 702 G N 2.560 111.117 108.800 -0.405 0.000 2.327 702 G HA2 0.227 4.187 3.960 0.001 0.000 0.302 702 G HA3 0.227 4.187 3.960 0.001 0.000 0.302 702 G C -0.180 174.476 174.900 -0.407 0.000 1.113 702 G CA -0.298 44.161 45.100 -1.068 0.000 0.921 702 G HN 0.310 nan 8.290 nan 0.000 0.425 703 T N 3.003 117.407 114.554 -0.250 0.000 2.799 703 T HA 0.449 4.800 4.350 0.001 0.000 0.286 703 T C 0.314 175.021 174.700 0.011 0.000 0.973 703 T CA -0.102 61.965 62.100 -0.054 0.000 1.035 703 T CB 1.442 70.347 68.868 0.062 0.000 0.932 703 T HN 0.312 nan 8.240 nan 0.000 0.469 704 I N 2.053 122.654 120.570 0.052 0.000 2.336 704 I HA 0.298 4.468 4.170 0.001 0.000 0.292 704 I C -0.076 176.151 176.117 0.183 0.000 0.991 704 I CA -0.712 60.675 61.300 0.146 0.000 1.227 704 I CB 1.099 39.201 38.000 0.171 0.000 1.366 704 I HN 0.580 nan 8.210 nan 0.000 0.466 705 C N 6.061 125.509 119.300 0.246 0.000 2.325 705 C HA 0.256 4.717 4.460 0.001 0.000 0.347 705 C C 0.082 175.234 174.990 0.271 0.000 1.263 705 C CA -0.531 58.621 59.018 0.223 0.000 1.806 705 C CB -0.498 27.369 27.740 0.211 0.000 2.405 705 C HN 0.534 nan 8.230 nan 0.000 0.537 706 Y N 3.016 123.365 120.300 0.082 0.000 2.319 706 Y HA 0.513 5.063 4.550 0.001 0.000 0.328 706 Y C 0.610 176.519 175.900 0.016 0.000 1.133 706 Y CA 0.801 58.931 58.100 0.050 0.000 1.265 706 Y CB 0.722 39.144 38.460 -0.063 0.000 1.218 706 Y HN 0.791 nan 8.280 nan 0.000 0.508 707 T N 3.627 117.800 114.554 -0.635 0.000 2.868 707 T HA 0.639 4.989 4.350 0.001 0.000 0.306 707 T C -0.069 174.203 174.700 -0.714 0.000 1.224 707 T CA -0.296 61.444 62.100 -0.601 0.000 1.012 707 T CB 1.227 69.716 68.868 -0.631 0.000 1.221 707 T HN 1.208 nan 8.240 nan 0.000 0.499 708 G N 1.456 110.017 108.800 -0.398 0.000 2.562 708 G HA2 0.026 3.987 3.960 0.001 0.000 0.250 708 G HA3 0.026 3.987 3.960 0.001 0.000 0.250 708 G C -1.157 173.673 174.900 -0.117 0.000 1.269 708 G CA 0.429 45.409 45.100 -0.201 0.000 0.919 708 G HN 1.002 nan 8.290 nan 0.000 0.574 709 D N -0.493 119.912 120.400 0.009 0.000 2.613 709 D HA 0.441 5.082 4.640 0.001 0.000 0.230 709 D C 1.417 177.814 176.300 0.161 0.000 1.365 709 D CA 0.059 54.138 54.000 0.131 0.000 0.976 709 D CB 0.531 41.374 40.800 0.072 0.000 1.415 709 D HN 0.977 nan 8.370 nan 0.000 0.589 710 I N 0.812 121.544 120.570 0.271 0.000 2.916 710 I HA -0.032 4.138 4.170 0.001 0.000 0.267 710 I C 1.119 177.326 176.117 0.150 0.000 1.263 710 I CA 0.654 62.100 61.300 0.244 0.000 1.471 710 I CB -0.081 38.117 38.000 0.330 0.000 1.089 710 I HN 0.303 nan 8.210 nan 0.000 0.468 711 L N 0.634 121.926 121.223 0.115 0.000 2.240 711 L HA 0.063 4.403 4.340 0.001 0.000 0.211 711 L C 0.754 177.649 176.870 0.042 0.000 1.106 711 L CA 0.502 55.379 54.840 0.061 0.000 0.793 711 L CB -0.510 41.563 42.059 0.024 0.000 0.927 711 L HN 0.319 nan 8.230 nan 0.000 0.446 712 N N 0.494 119.223 118.700 0.047 0.000 2.501 712 N HA 0.157 4.898 4.740 0.001 0.000 0.245 712 N C -1.730 173.808 175.510 0.047 0.000 0.974 712 N CA -2.195 50.876 53.050 0.034 0.000 0.941 712 N CB 1.385 39.886 38.487 0.023 0.000 1.122 712 N HN -0.151 nan 8.380 nan 0.000 0.507 713 P HA -0.074 nan 4.420 nan 0.000 0.223 713 P C 0.311 177.631 177.300 0.033 0.000 1.151 713 P CA 1.111 64.234 63.100 0.038 0.000 0.787 713 P CB 0.588 32.306 31.700 0.029 0.000 0.788 714 E N -0.560 119.657 120.200 0.028 0.000 2.371 714 E HA -0.090 4.261 4.350 0.001 0.000 0.194 714 E C 2.133 178.758 176.600 0.041 0.000 1.012 714 E CA 0.095 56.508 56.400 0.022 0.000 0.860 714 E CB -0.078 29.626 29.700 0.006 0.000 0.811 714 E HN 0.031 nan 8.360 nan 0.000 0.502 715 R N 0.978 121.516 120.500 0.063 0.000 2.062 715 R HA -0.002 4.338 4.340 0.001 0.000 0.231 715 R C 1.030 177.428 176.300 0.164 0.000 1.136 715 R CA 1.534 57.702 56.100 0.114 0.000 0.948 715 R CB -0.033 30.327 30.300 0.099 0.000 0.845 715 R HN 0.029 nan 8.270 nan 0.000 0.430 716 S N -3.929 111.839 115.700 0.113 0.000 2.755 716 S HA 0.396 4.866 4.470 0.001 0.000 0.286 716 S C 0.148 174.767 174.600 0.032 0.000 1.207 716 S CA -0.078 58.181 58.200 0.098 0.000 0.892 716 S CB -0.154 63.122 63.200 0.127 0.000 1.240 716 S HN 0.167 nan 8.310 nan 0.000 0.525 717 I N -0.694 119.752 120.570 -0.207 0.000 4.318 717 I HA -0.304 3.867 4.170 0.001 0.000 0.080 717 I C 0.093 175.771 176.117 -0.731 0.000 0.575 717 I CA 2.273 63.294 61.300 -0.464 0.000 1.064 717 I CB -1.286 36.338 38.000 -0.627 0.000 0.950 717 I HN 0.689 nan 8.210 nan 0.000 0.178 718 Y N 2.862 122.884 120.300 -0.464 0.000 2.832 718 Y HA 0.424 4.974 4.550 0.001 0.000 0.372 718 Y C 1.091 176.819 175.900 -0.287 0.000 1.238 718 Y CA -0.177 57.516 58.100 -0.677 0.000 1.713 718 Y CB -0.286 37.818 38.460 -0.594 0.000 1.809 718 Y HN 0.145 nan 8.280 nan 0.000 0.472 719 T N -0.496 114.015 114.554 -0.072 0.000 2.810 719 T HA 0.031 4.382 4.350 0.001 0.000 0.277 719 T C 1.252 176.075 174.700 0.206 0.000 0.973 719 T CA -0.749 61.402 62.100 0.085 0.000 0.949 719 T CB 1.053 69.956 68.868 0.057 0.000 1.075 719 T HN 0.295 nan 8.240 nan 0.000 0.537 720 L N 0.538 121.914 121.223 0.254 0.000 2.083 720 L HA -0.027 4.314 4.340 0.001 0.000 0.209 720 L C 2.274 179.286 176.870 0.236 0.000 1.083 720 L CA 1.826 56.854 54.840 0.313 0.000 0.752 720 L CB -1.119 41.065 42.059 0.210 0.000 0.899 720 L HN 0.599 nan 8.230 nan 0.000 0.433 721 E N -1.582 118.708 120.200 0.150 0.000 2.077 721 E HA -0.291 4.060 4.350 0.001 0.000 0.193 721 E C 2.013 178.667 176.600 0.091 0.000 0.989 721 E CA 1.782 58.243 56.400 0.101 0.000 0.800 721 E CB -0.653 29.089 29.700 0.069 0.000 0.746 721 E HN 0.638 nan 8.360 nan 0.000 0.452 722 Y N -0.092 120.169 120.300 -0.066 0.000 2.114 722 Y HA -0.344 4.207 4.550 0.001 0.000 0.282 722 Y C 1.774 177.616 175.900 -0.096 0.000 1.165 722 Y CA 1.789 59.797 58.100 -0.154 0.000 1.148 722 Y CB -0.482 37.781 38.460 -0.328 0.000 0.972 722 Y HN 0.134 nan 8.280 nan 0.000 0.504 723 Y N -1.191 119.155 120.300 0.077 0.000 2.242 723 Y HA -0.202 4.349 4.550 0.001 0.000 0.291 723 Y C 2.527 178.394 175.900 -0.056 0.000 1.137 723 Y CA 1.130 59.221 58.100 -0.015 0.000 1.181 723 Y CB -0.403 38.166 38.460 0.181 0.000 0.989 723 Y HN -0.001 nan 8.280 nan 0.000 0.527 724 V N 0.462 120.455 119.914 0.131 0.000 2.295 724 V HA -0.285 3.835 4.120 0.001 0.000 0.246 724 V C 2.470 178.568 176.094 0.007 0.000 1.049 724 V CA 1.838 64.178 62.300 0.065 0.000 1.024 724 V CB -0.471 31.391 31.823 0.066 0.000 0.648 724 V HN 0.307 nan 8.190 nan 0.000 0.447 725 K N -0.074 120.307 120.400 -0.031 0.000 2.097 725 K HA -0.161 4.160 4.320 0.001 0.000 0.205 725 K C 2.154 178.703 176.600 -0.084 0.000 1.050 725 K CA 1.437 57.693 56.287 -0.051 0.000 0.938 725 K CB -0.395 32.074 32.500 -0.053 0.000 0.718 725 K HN 0.352 nan 8.250 nan 0.000 0.442 726 L N 1.226 122.345 121.223 -0.173 0.000 2.046 726 L HA -0.077 4.264 4.340 0.001 0.000 0.208 726 L C 2.309 179.142 176.870 -0.062 0.000 1.077 726 L CA 2.095 56.831 54.840 -0.172 0.000 0.747 726 L CB -0.954 40.899 42.059 -0.343 0.000 0.896 726 L HN 0.180 nan 8.230 nan 0.000 0.432 727 A N -0.593 122.213 122.820 -0.024 0.000 1.883 727 A HA -0.249 4.071 4.320 0.001 0.000 0.217 727 A C 2.346 179.935 177.584 0.008 0.000 1.186 727 A CA 2.046 54.084 52.037 0.002 0.000 0.624 727 A CB -0.549 18.464 19.000 0.021 0.000 0.822 727 A HN 0.489 nan 8.150 nan 0.000 0.444 728 K N -0.765 119.639 120.400 0.006 0.000 2.057 728 K HA -0.191 4.129 4.320 0.001 0.000 0.207 728 K C 2.127 178.740 176.600 0.022 0.000 1.049 728 K CA 1.522 57.818 56.287 0.014 0.000 0.931 728 K CB -0.176 32.329 32.500 0.009 0.000 0.714 728 K HN 0.697 nan 8.250 nan 0.000 0.440 729 E N 1.063 121.271 120.200 0.013 0.000 2.085 729 E HA -0.181 4.170 4.350 0.001 0.000 0.194 729 E C 1.977 178.614 176.600 0.061 0.000 0.994 729 E CA 0.929 57.344 56.400 0.025 0.000 0.801 729 E CB 0.018 29.723 29.700 0.009 0.000 0.743 729 E HN 0.219 nan 8.360 nan 0.000 0.453 730 L N 0.457 121.717 121.223 0.061 0.000 2.201 730 L HA -0.130 4.210 4.340 0.001 0.000 0.212 730 L C 2.564 179.559 176.870 0.210 0.000 1.105 730 L CA 0.980 55.899 54.840 0.131 0.000 0.775 730 L CB -0.305 41.732 42.059 -0.036 0.000 0.913 730 L HN 0.236 nan 8.230 nan 0.000 0.440 731 E N 0.500 120.768 120.200 0.112 0.000 2.107 731 E HA -0.184 4.167 4.350 0.001 0.000 0.191 731 E C 2.305 178.951 176.600 0.077 0.000 0.982 731 E CA 0.706 57.166 56.400 0.099 0.000 0.809 731 E CB 0.164 29.901 29.700 0.061 0.000 0.756 731 E HN 0.356 nan 8.360 nan 0.000 0.459 732 R N 0.284 120.820 120.500 0.060 0.000 2.152 732 R HA -0.087 4.253 4.340 0.001 0.000 0.232 732 R C 1.891 178.203 176.300 0.020 0.000 1.117 732 R CA 0.963 57.083 56.100 0.034 0.000 0.981 732 R CB 0.029 30.345 30.300 0.027 0.000 0.870 732 R HN 0.162 nan 8.270 nan 0.000 0.451 733 E N -0.614 119.616 120.200 0.050 0.000 2.347 733 E HA -0.037 4.313 4.350 0.001 0.000 0.196 733 E C 1.173 177.679 176.600 -0.156 0.000 1.008 733 E CA 0.945 57.333 56.400 -0.021 0.000 0.852 733 E CB 0.193 29.947 29.700 0.089 0.000 0.783 733 E HN 0.535 nan 8.360 nan 0.000 0.505 734 G N 1.026 109.775 108.800 -0.085 0.000 2.130 734 G HA2 -0.260 3.701 3.960 0.001 0.000 0.216 734 G HA3 -0.260 3.701 3.960 0.001 0.000 0.216 734 G C -0.020 174.708 174.900 -0.286 0.000 0.999 734 G CA -0.208 44.806 45.100 -0.143 0.000 0.686 734 G HN 0.172 nan 8.290 nan 0.000 0.515 735 F N 1.027 120.878 119.950 -0.166 0.000 2.518 735 F HA 0.344 4.871 4.527 0.001 0.000 0.359 735 F C 2.020 177.722 175.800 -0.164 0.000 1.118 735 F CA 0.131 57.998 58.000 -0.221 0.000 1.287 735 F CB 0.611 39.562 39.000 -0.081 0.000 1.132 735 F HN 0.140 nan 8.300 nan 0.000 0.587 736 H N 3.213 122.440 119.070 0.262 0.000 2.403 736 H HA 0.220 4.776 4.556 0.001 0.000 0.298 736 H C 0.399 175.831 175.328 0.172 0.000 1.059 736 H CA 1.110 57.268 56.048 0.183 0.000 1.363 736 H CB 0.195 30.062 29.762 0.174 0.000 1.410 736 H HN 0.323 nan 8.280 nan 0.000 0.528 737 I N 1.116 121.861 120.570 0.291 0.000 2.619 737 I HA 0.112 4.283 4.170 0.001 0.000 0.292 737 I C -0.891 175.295 176.117 0.115 0.000 1.100 737 I CA -1.069 60.342 61.300 0.185 0.000 1.043 737 I CB 3.145 41.267 38.000 0.203 0.000 1.239 737 I HN -0.121 nan 8.210 nan 0.000 0.420 738 L N 5.776 127.035 121.223 0.060 0.000 2.349 738 L HA 0.741 5.082 4.340 0.001 0.000 0.275 738 L C -0.103 176.779 176.870 0.020 0.000 1.115 738 L CA 0.307 55.153 54.840 0.010 0.000 0.820 738 L CB 1.064 43.124 42.059 0.001 0.000 1.135 738 L HN 0.727 nan 8.230 nan 0.000 0.445 739 A N 5.639 128.452 122.820 -0.012 0.000 2.355 739 A HA 0.751 5.071 4.320 0.001 0.000 0.317 739 A C -1.029 176.554 177.584 -0.003 0.000 1.094 739 A CA -0.486 51.549 52.037 -0.003 0.000 0.764 739 A CB 0.816 19.781 19.000 -0.057 0.000 1.230 739 A HN 0.585 nan 8.150 nan 0.000 0.448 740 I N 2.004 122.581 120.570 0.013 0.000 2.330 740 I HA 0.261 4.431 4.170 0.001 0.000 0.286 740 I C 0.392 176.541 176.117 0.053 0.000 1.025 740 I CA 0.084 61.394 61.300 0.016 0.000 1.197 740 I CB 1.449 39.426 38.000 -0.039 0.000 1.358 740 I HN 0.622 nan 8.210 nan 0.000 0.467 741 K N 4.822 125.258 120.400 0.060 0.000 2.250 741 K HA 0.150 4.470 4.320 0.001 0.000 0.285 741 K C -0.325 176.362 176.600 0.146 0.000 1.097 741 K CA -0.320 56.020 56.287 0.088 0.000 0.913 741 K CB 0.275 32.742 32.500 -0.055 0.000 1.179 741 K HN 0.404 nan 8.250 nan 0.000 0.462 742 D N 5.890 126.388 120.400 0.163 0.000 2.741 742 D HA -0.008 4.632 4.640 0.001 0.000 0.233 742 D C 1.528 177.943 176.300 0.191 0.000 1.160 742 D CA -0.334 53.752 54.000 0.143 0.000 1.003 742 D CB 0.441 41.253 40.800 0.021 0.000 1.064 742 D HN 0.567 nan 8.370 nan 0.000 0.503 743 M N 0.034 119.756 119.600 0.205 0.000 2.446 743 M HA -0.043 4.438 4.480 0.001 0.000 0.263 743 M C 0.939 177.307 176.300 0.114 0.000 1.066 743 M CA 1.262 56.700 55.300 0.229 0.000 1.087 743 M CB -0.693 31.960 32.600 0.089 0.000 1.406 743 M HN 0.231 nan 8.290 nan 0.000 0.459 744 A N -0.081 122.787 122.820 0.081 0.000 2.431 744 A HA 0.551 4.871 4.320 0.001 0.000 0.239 744 A C 1.511 179.081 177.584 -0.022 0.000 1.230 744 A CA 0.463 52.497 52.037 -0.006 0.000 0.928 744 A CB -0.388 18.606 19.000 -0.009 0.000 1.006 744 A HN 0.870 nan 8.150 nan 0.000 0.520 745 G N -0.168 108.655 108.800 0.038 0.000 2.225 745 G HA2 -0.228 3.732 3.960 0.001 0.000 0.264 745 G HA3 -0.228 3.732 3.960 0.001 0.000 0.264 745 G C 0.524 175.428 174.900 0.006 0.000 1.060 745 G CA 0.501 45.592 45.100 -0.015 0.000 0.833 745 G HN 0.485 nan 8.290 nan 0.000 0.498 746 L N -1.158 120.144 121.223 0.132 0.000 2.567 746 L HA 0.304 4.644 4.340 0.001 0.000 0.225 746 L C 1.520 178.617 176.870 0.378 0.000 1.119 746 L CA -0.203 54.825 54.840 0.313 0.000 0.871 746 L CB 0.163 42.413 42.059 0.319 0.000 1.036 746 L HN 0.287 nan 8.230 nan 0.000 0.459 747 L N 2.043 123.321 121.223 0.092 0.000 2.404 747 L HA 0.129 4.469 4.340 0.001 0.000 0.277 747 L C 0.481 177.308 176.870 -0.071 0.000 1.184 747 L CA 0.144 54.860 54.840 -0.207 0.000 1.013 747 L CB -0.580 41.191 42.059 -0.480 0.000 1.318 747 L HN -0.014 nan 8.230 nan 0.000 0.435 748 K N 5.050 125.456 120.400 0.010 0.000 2.518 748 K HA -0.030 4.290 4.320 0.001 0.000 0.276 748 K C -1.438 175.130 176.600 -0.054 0.000 0.974 748 K CA -0.795 55.479 56.287 -0.022 0.000 0.986 748 K CB 0.079 32.518 32.500 -0.102 0.000 0.901 748 K HN 0.302 nan 8.250 nan 0.000 0.497 749 P HA -0.275 nan 4.420 nan 0.000 0.215 749 P C 0.956 178.242 177.300 -0.024 0.000 1.163 749 P CA 1.398 64.471 63.100 -0.046 0.000 0.894 749 P CB 0.231 31.902 31.700 -0.048 0.000 0.791 750 K N -0.559 119.824 120.400 -0.028 0.000 2.097 750 K HA -0.015 4.306 4.320 0.001 0.000 0.205 750 K C 1.974 178.598 176.600 0.039 0.000 1.050 750 K CA 1.446 57.731 56.287 -0.003 0.000 0.938 750 K CB -0.816 31.666 32.500 -0.029 0.000 0.718 750 K HN -0.006 nan 8.250 nan 0.000 0.442 751 A N 0.948 123.770 122.820 0.003 0.000 1.972 751 A HA -0.105 4.216 4.320 0.001 0.000 0.219 751 A C 2.306 179.854 177.584 -0.059 0.000 1.169 751 A CA 1.915 53.951 52.037 -0.001 0.000 0.635 751 A CB -0.460 18.541 19.000 0.001 0.000 0.810 751 A HN 0.351 nan 8.150 nan 0.000 0.446 752 A N -1.432 121.343 122.820 -0.075 0.000 1.873 752 A HA -0.099 4.221 4.320 0.001 0.000 0.215 752 A C 2.131 179.702 177.584 -0.021 0.000 1.186 752 A CA 1.582 53.565 52.037 -0.091 0.000 0.616 752 A CB -0.816 18.142 19.000 -0.069 0.000 0.823 752 A HN 0.683 nan 8.150 nan 0.000 0.442 753 Y N 0.582 120.837 120.300 -0.075 0.000 2.114 753 Y HA -0.211 4.340 4.550 0.001 0.000 0.284 753 Y C 2.390 178.266 175.900 -0.041 0.000 1.143 753 Y CA 2.360 60.427 58.100 -0.055 0.000 1.135 753 Y CB -0.181 38.251 38.460 -0.047 0.000 0.980 753 Y HN 0.444 nan 8.280 nan 0.000 0.499 754 E N -0.425 119.864 120.200 0.148 0.000 2.106 754 E HA -0.202 4.148 4.350 0.001 0.000 0.192 754 E C 1.982 178.584 176.600 0.003 0.000 0.984 754 E CA 1.105 57.555 56.400 0.083 0.000 0.806 754 E CB -0.209 29.564 29.700 0.122 0.000 0.750 754 E HN 0.420 nan 8.360 nan 0.000 0.458 755 L N 0.743 121.953 121.223 -0.022 0.000 2.023 755 L HA -0.089 4.251 4.340 0.001 0.000 0.205 755 L C 2.068 178.890 176.870 -0.080 0.000 1.073 755 L CA 1.467 56.281 54.840 -0.044 0.000 0.745 755 L CB -0.166 41.817 42.059 -0.127 0.000 0.900 755 L HN 0.059 nan 8.230 nan 0.000 0.435 756 I N -0.508 119.988 120.570 -0.124 0.000 2.394 756 I HA -0.165 4.005 4.170 0.001 0.000 0.251 756 I C 2.358 178.378 176.117 -0.162 0.000 1.136 756 I CA 1.136 62.355 61.300 -0.137 0.000 1.425 756 I CB -0.743 37.172 38.000 -0.142 0.000 1.079 756 I HN 0.435 nan 8.210 nan 0.000 0.425 757 G N 0.089 108.750 108.800 -0.232 0.000 2.418 757 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 757 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 757 G C 1.582 176.404 174.900 -0.130 0.000 1.158 757 G CA 0.487 45.435 45.100 -0.252 0.000 0.771 757 G HN 0.253 nan 8.290 nan 0.000 0.545 758 E N 0.339 120.492 120.200 -0.079 0.000 2.047 758 E HA -0.011 4.339 4.350 0.001 0.000 0.191 758 E C 2.760 179.348 176.600 -0.020 0.000 0.987 758 E CA 0.479 56.863 56.400 -0.026 0.000 0.799 758 E CB -0.309 29.402 29.700 0.017 0.000 0.752 758 E HN 0.431 nan 8.360 nan 0.000 0.449 759 L N 0.552 121.760 121.223 -0.025 0.000 2.093 759 L HA -0.164 4.176 4.340 0.001 0.000 0.208 759 L C 2.526 179.377 176.870 -0.032 0.000 1.085 759 L CA 0.958 55.788 54.840 -0.017 0.000 0.755 759 L CB -0.382 41.666 42.059 -0.019 0.000 0.904 759 L HN 0.031 nan 8.230 nan 0.000 0.435 760 K N 0.632 120.997 120.400 -0.058 0.000 2.103 760 K HA -0.156 4.165 4.320 0.001 0.000 0.207 760 K C 2.139 178.710 176.600 -0.047 0.000 1.048 760 K CA 1.721 57.970 56.287 -0.064 0.000 0.930 760 K CB -0.125 32.319 32.500 -0.094 0.000 0.716 760 K HN 0.374 nan 8.250 nan 0.000 0.444 761 S N -1.564 114.111 115.700 -0.041 0.000 2.548 761 S HA 0.217 4.687 4.470 0.001 0.000 0.215 761 S C 1.842 176.434 174.600 -0.014 0.000 0.976 761 S CA 0.207 58.391 58.200 -0.027 0.000 0.908 761 S CB 0.576 63.760 63.200 -0.026 0.000 0.781 761 S HN 0.256 nan 8.310 nan 0.000 0.519 762 A N 1.674 124.488 122.820 -0.010 0.000 1.943 762 A HA 0.533 4.854 4.320 0.001 0.000 0.213 762 A C 1.147 178.733 177.584 0.003 0.000 1.181 762 A CA 0.893 52.931 52.037 0.001 0.000 0.653 762 A CB -0.419 18.587 19.000 0.009 0.000 0.833 762 A HN 0.866 nan 8.150 nan 0.000 0.451 766 L N 3.543 124.782 121.223 0.027 0.000 2.593 766 L HA 0.139 4.480 4.340 0.001 0.000 0.287 766 L C -1.943 174.930 176.870 0.005 0.000 1.243 766 L CA -0.121 54.742 54.840 0.038 0.000 0.890 766 L CB -0.603 41.492 42.059 0.059 0.000 1.134 766 L HN -0.113 nan 8.230 nan 0.000 0.502 767 P HA 0.156 nan 4.420 nan 0.000 0.270 767 P C -0.761 176.506 177.300 -0.056 0.000 1.223 767 P CA -0.159 62.905 63.100 -0.059 0.000 0.785 767 P CB 0.500 32.147 31.700 -0.089 0.000 0.923 768 I N 1.622 122.135 120.570 -0.094 0.000 2.354 768 I HA 0.272 4.443 4.170 0.001 0.000 0.292 768 I C 0.186 176.251 176.117 -0.087 0.000 0.989 768 I CA -0.243 61.016 61.300 -0.069 0.000 1.188 768 I CB 0.548 38.502 38.000 -0.077 0.000 1.342 768 I HN 0.469 nan 8.210 nan 0.000 0.457 769 H N 5.680 124.677 119.070 -0.121 0.000 2.551 769 H HA 0.502 5.058 4.556 0.001 0.000 0.321 769 H C -1.149 174.134 175.328 -0.074 0.000 1.028 769 H CA -0.747 55.223 56.048 -0.130 0.000 1.215 769 H CB 1.626 31.327 29.762 -0.101 0.000 1.414 769 H HN 0.468 nan 8.280 nan 0.000 0.480 770 L N 5.304 126.615 121.223 0.146 0.000 2.317 770 L HA 0.317 4.658 4.340 0.001 0.000 0.281 770 L C -1.223 175.781 176.870 0.223 0.000 1.024 770 L CA -0.441 54.472 54.840 0.122 0.000 0.810 770 L CB 0.999 43.093 42.059 0.058 0.000 1.240 770 L HN 0.789 nan 8.230 nan 0.000 0.427 771 H N 2.435 121.559 119.070 0.089 0.000 2.840 771 H HA 0.632 5.189 4.556 0.001 0.000 0.340 771 H C -1.297 174.027 175.328 -0.007 0.000 1.004 771 H CA -0.173 55.907 56.048 0.054 0.000 1.288 771 H CB 1.466 31.188 29.762 -0.068 0.000 1.607 771 H HN 0.703 nan 8.280 nan 0.000 0.522 772 T N 3.469 117.734 114.554 -0.481 0.000 2.865 772 T HA 0.345 4.695 4.350 0.001 0.000 0.294 772 T C -1.349 172.945 174.700 -0.677 0.000 1.119 772 T CA -0.684 61.139 62.100 -0.461 0.000 1.007 772 T CB 1.007 69.667 68.868 -0.346 0.000 1.225 772 T HN 0.699 nan 8.240 nan 0.000 0.515 773 H N 1.571 120.466 119.070 -0.292 0.000 2.533 773 H HA 0.315 4.872 4.556 0.001 0.000 0.343 773 H C -0.518 174.685 175.328 -0.209 0.000 1.160 773 H CA -0.429 55.484 56.048 -0.226 0.000 1.218 773 H CB 2.000 31.676 29.762 -0.144 0.000 1.566 773 H HN 0.638 nan 8.280 nan 0.000 0.522 774 D N 1.031 121.393 120.400 -0.063 0.000 2.460 774 D HA 0.041 4.682 4.640 0.001 0.000 0.229 774 D C 0.818 177.075 176.300 -0.071 0.000 1.170 774 D CA -0.050 53.889 54.000 -0.100 0.000 0.827 774 D CB 0.210 40.948 40.800 -0.103 0.000 0.973 774 D HN 0.461 nan 8.370 nan 0.000 0.496 775 T N -1.569 112.945 114.554 -0.067 0.000 2.759 775 T HA -0.204 4.146 4.350 0.001 0.000 0.269 775 T C 2.025 176.643 174.700 -0.136 0.000 1.042 775 T CA 1.608 63.650 62.100 -0.096 0.000 1.140 775 T CB -0.279 68.515 68.868 -0.124 0.000 0.864 775 T HN 0.329 nan 8.240 nan 0.000 0.455 776 S N 0.583 116.181 115.700 -0.169 0.000 2.453 776 S HA 0.241 4.711 4.470 0.001 0.000 0.231 776 S C 2.083 176.637 174.600 -0.076 0.000 1.005 776 S CA 0.904 59.000 58.200 -0.173 0.000 0.949 776 S CB -0.521 62.575 63.200 -0.174 0.000 0.774 776 S HN 0.802 nan 8.310 nan 0.000 0.510 777 G N 1.539 110.299 108.800 -0.068 0.000 2.195 777 G HA2 -0.284 3.676 3.960 0.001 0.000 0.246 777 G HA3 -0.284 3.676 3.960 0.001 0.000 0.246 777 G C 0.445 175.320 174.900 -0.042 0.000 0.984 777 G CA 0.280 45.353 45.100 -0.045 0.000 0.633 777 G HN 0.628 nan 8.290 nan 0.000 0.525 778 N N 0.522 119.196 118.700 -0.044 0.000 2.230 778 N HA 0.328 5.069 4.740 0.001 0.000 0.202 778 N C 2.175 177.621 175.510 -0.106 0.000 1.119 778 N CA 0.432 53.455 53.050 -0.044 0.000 0.851 778 N CB 0.124 38.614 38.487 0.005 0.000 0.990 778 N HN 0.385 nan 8.380 nan 0.000 0.497 779 G N 1.637 110.344 108.800 -0.156 0.000 2.529 779 G HA2 -0.276 3.684 3.960 0.001 0.000 0.219 779 G HA3 -0.276 3.684 3.960 0.001 0.000 0.219 779 G C 1.357 176.055 174.900 -0.338 0.000 1.177 779 G CA 0.710 45.632 45.100 -0.297 0.000 0.773 779 G HN 0.202 nan 8.290 nan 0.000 0.573 780 L N -0.345 120.773 121.223 -0.174 0.000 2.012 780 L HA -0.038 4.302 4.340 0.001 0.000 0.210 780 L C 2.963 179.798 176.870 -0.059 0.000 1.073 780 L CA 0.679 55.473 54.840 -0.077 0.000 0.748 780 L CB -0.347 41.701 42.059 -0.017 0.000 0.891 780 L HN 0.201 nan 8.230 nan 0.000 0.431 781 L N -0.945 120.234 121.223 -0.072 0.000 2.083 781 L HA -0.235 4.106 4.340 0.001 0.000 0.209 781 L C 2.574 179.403 176.870 -0.068 0.000 1.083 781 L CA 1.493 56.294 54.840 -0.066 0.000 0.752 781 L CB -0.520 41.505 42.059 -0.056 0.000 0.899 781 L HN 0.277 nan 8.230 nan 0.000 0.433 782 T N -1.482 113.006 114.554 -0.109 0.000 2.746 782 T HA -0.223 4.127 4.350 0.001 0.000 0.267 782 T C 1.666 176.359 174.700 -0.012 0.000 1.039 782 T CA 1.399 63.432 62.100 -0.112 0.000 1.142 782 T CB -0.309 68.433 68.868 -0.210 0.000 0.866 782 T HN 0.352 nan 8.240 nan 0.000 0.444 783 Y N 0.955 121.201 120.300 -0.089 0.000 2.184 783 Y HA -0.064 4.486 4.550 0.001 0.000 0.290 783 Y C 2.842 178.681 175.900 -0.102 0.000 1.129 783 Y CA 0.513 58.557 58.100 -0.094 0.000 1.144 783 Y CB -0.004 38.404 38.460 -0.087 0.000 0.995 783 Y HN -0.008 nan 8.280 nan 0.000 0.513 784 K N 0.572 121.003 120.400 0.052 0.000 2.063 784 K HA -0.227 4.093 4.320 0.001 0.000 0.208 784 K C 1.758 178.312 176.600 -0.076 0.000 1.048 784 K CA 1.479 57.719 56.287 -0.078 0.000 0.928 784 K CB -0.169 32.229 32.500 -0.170 0.000 0.713 784 K HN 0.338 nan 8.250 nan 0.000 0.442 785 Q N -0.335 119.447 119.800 -0.030 0.000 2.224 785 Q HA -0.044 4.296 4.340 0.001 0.000 0.203 785 Q C 1.947 178.002 176.000 0.092 0.000 0.970 785 Q CA 1.222 57.049 55.803 0.039 0.000 0.865 785 Q CB -0.056 28.700 28.738 0.030 0.000 0.922 785 Q HN 0.405 nan 8.270 nan 0.000 0.445 786 A N 0.468 123.307 122.820 0.033 0.000 1.929 786 A HA -0.077 4.244 4.320 0.001 0.000 0.216 786 A C 2.108 179.657 177.584 -0.058 0.000 1.176 786 A CA 0.600 52.628 52.037 -0.015 0.000 0.628 786 A CB -0.461 18.545 19.000 0.010 0.000 0.816 786 A HN 0.270 nan 8.150 nan 0.000 0.444 787 I N 0.277 120.814 120.570 -0.055 0.000 2.208 787 I HA -0.261 3.910 4.170 0.001 0.000 0.245 787 I C 1.644 177.720 176.117 -0.068 0.000 1.097 787 I CA 1.486 62.733 61.300 -0.089 0.000 1.363 787 I CB -0.353 37.587 38.000 -0.099 0.000 1.051 787 I HN 0.239 nan 8.210 nan 0.000 0.413 788 D N 0.965 121.353 120.400 -0.020 0.000 2.178 788 D HA -0.126 4.515 4.640 0.001 0.000 0.201 788 D C 1.948 178.244 176.300 -0.005 0.000 0.980 788 D CA 1.403 55.431 54.000 0.047 0.000 0.842 788 D CB -0.116 40.784 40.800 0.166 0.000 0.948 788 D HN 0.375 nan 8.370 nan 0.000 0.472 789 A N -0.674 122.069 122.820 -0.128 0.000 2.307 789 A HA 0.486 4.807 4.320 0.001 0.000 0.218 789 A C 1.632 179.087 177.584 -0.216 0.000 1.228 789 A CA 0.823 52.658 52.037 -0.337 0.000 0.857 789 A CB -0.016 18.647 19.000 -0.561 0.000 0.897 789 A HN 0.227 nan 8.150 nan 0.000 0.495 790 G N -1.427 107.282 108.800 -0.151 0.000 2.159 790 G HA2 -0.146 3.815 3.960 0.001 0.000 0.227 790 G HA3 -0.146 3.815 3.960 0.001 0.000 0.227 790 G C 0.357 175.166 174.900 -0.152 0.000 0.986 790 G CA 0.027 45.042 45.100 -0.141 0.000 0.651 790 G HN 1.137 nan 8.290 nan 0.000 0.523 791 V N 0.737 120.559 119.914 -0.154 0.000 2.720 791 V HA 0.212 4.333 4.120 0.001 0.000 0.307 791 V C 1.516 177.485 176.094 -0.208 0.000 1.071 791 V CA 1.737 63.936 62.300 -0.168 0.000 1.199 791 V CB 0.646 32.375 31.823 -0.156 0.000 0.900 791 V HN 0.400 nan 8.190 nan 0.000 0.494 792 D N 4.823 125.082 120.400 -0.235 0.000 2.144 792 D HA 0.194 4.835 4.640 0.001 0.000 0.207 792 D C 0.194 176.267 176.300 -0.380 0.000 0.970 792 D CA 1.357 55.180 54.000 -0.294 0.000 0.853 792 D CB 0.120 40.742 40.800 -0.297 0.000 1.007 792 D HN 0.592 nan 8.370 nan 0.000 0.469 793 I N 0.425 120.713 120.570 -0.470 0.000 2.689 793 I HA 0.404 4.574 4.170 0.001 0.000 0.299 793 I C -0.837 174.980 176.117 -0.500 0.000 1.059 793 I CA -1.170 59.749 61.300 -0.635 0.000 1.055 793 I CB 2.592 39.844 38.000 -1.247 0.000 1.243 793 I HN -0.145 nan 8.210 nan 0.000 0.425 794 I N -0.537 119.774 120.570 -0.431 0.000 2.730 794 I HA 0.594 4.765 4.170 0.001 0.000 0.298 794 I C -1.485 174.495 176.117 -0.229 0.000 1.089 794 I CA -0.830 60.202 61.300 -0.447 0.000 1.041 794 I CB 2.057 39.505 38.000 -0.921 0.000 1.235 794 I HN 0.258 nan 8.210 nan 0.000 0.423 795 D N 3.839 124.194 120.400 -0.074 0.000 2.295 795 D HA 0.496 5.136 4.640 0.001 0.000 0.248 795 D C -0.015 176.309 176.300 0.039 0.000 1.154 795 D CA 0.233 54.272 54.000 0.065 0.000 0.857 795 D CB 1.651 42.587 40.800 0.227 0.000 1.117 795 D HN 0.831 nan 8.370 nan 0.000 0.468 796 T N -1.245 113.306 114.554 -0.005 0.000 2.907 796 T HA 0.898 5.248 4.350 0.001 0.000 0.290 796 T C -0.636 174.049 174.700 -0.025 0.000 1.066 796 T CA -1.042 61.077 62.100 0.033 0.000 1.012 796 T CB 1.959 70.853 68.868 0.043 0.000 1.184 796 T HN 0.272 nan 8.240 nan 0.000 0.522 797 A N 0.663 123.480 122.820 -0.004 0.000 2.498 797 A HA 0.745 5.066 4.320 0.001 0.000 0.298 797 A C -0.348 177.244 177.584 0.014 0.000 1.075 797 A CA -0.880 51.135 52.037 -0.037 0.000 0.714 797 A CB 1.527 20.488 19.000 -0.066 0.000 1.299 797 A HN 0.916 nan 8.150 nan 0.000 0.407 798 V N 2.080 121.999 119.914 0.009 0.000 2.673 798 V HA 0.227 4.348 4.120 0.001 0.000 0.303 798 V C 1.933 178.049 176.094 0.036 0.000 1.046 798 V CA 0.850 63.185 62.300 0.059 0.000 1.126 798 V CB 0.588 32.461 31.823 0.084 0.000 0.934 798 V HN 1.362 nan 8.190 nan 0.000 0.487 799 A N 4.505 127.354 122.820 0.049 0.000 1.929 799 A HA -0.241 4.079 4.320 0.001 0.000 0.221 799 A C 2.258 179.862 177.584 0.033 0.000 1.211 799 A CA 2.765 54.825 52.037 0.037 0.000 0.657 799 A CB -0.860 18.155 19.000 0.026 0.000 0.827 799 A HN 1.186 nan 8.150 nan 0.000 0.462 800 S N -2.101 113.629 115.700 0.050 0.000 2.561 800 S HA 0.154 4.625 4.470 0.001 0.000 0.225 800 S C 1.116 175.750 174.600 0.058 0.000 0.977 800 S CA 0.964 59.204 58.200 0.067 0.000 0.926 800 S CB 0.035 63.299 63.200 0.107 0.000 0.769 800 S HN 0.399 nan 8.310 nan 0.000 0.533 801 M N 2.218 121.825 119.600 0.013 0.000 2.589 801 M HA 0.335 4.816 4.480 0.001 0.000 0.344 801 M C 0.313 176.589 176.300 -0.039 0.000 1.168 801 M CA -0.039 55.236 55.300 -0.042 0.000 0.956 801 M CB -0.063 32.428 32.600 -0.182 0.000 1.370 801 M HN 0.473 nan 8.290 nan 0.000 0.518 802 S N -0.689 115.005 115.700 -0.010 0.000 2.726 802 S HA 0.938 5.408 4.470 0.001 0.000 0.308 802 S C 0.350 174.949 174.600 -0.001 0.000 1.115 802 S CA 0.034 58.228 58.200 -0.010 0.000 0.965 802 S CB 2.352 65.553 63.200 0.002 0.000 1.145 802 S HN 0.604 nan 8.310 nan 0.000 0.532 803 G N 0.007 108.802 108.800 -0.009 0.000 2.712 803 G HA2 0.318 4.279 3.960 0.001 0.000 0.686 803 G HA3 0.318 4.279 3.960 0.001 0.000 0.686 803 G C -0.457 174.441 174.900 -0.003 0.000 1.321 803 G CA -0.594 44.501 45.100 -0.009 0.000 0.813 803 G HN 2.335 nan 8.290 nan 0.000 0.599 804 L N -1.613 119.603 121.223 -0.011 0.000 4.301 804 L HA 0.095 4.436 4.340 0.001 0.000 0.563 804 L C 1.686 178.561 176.870 0.009 0.000 1.000 804 L CA 1.990 56.825 54.840 -0.008 0.000 0.787 804 L CB -2.256 39.801 42.059 -0.003 0.000 0.567 804 L HN 3.024 nan 8.230 nan 0.000 1.010 805 T N -1.376 113.186 114.554 0.013 0.000 9.266 805 T HA -0.354 3.996 4.350 0.001 0.000 0.342 805 T C 0.602 175.410 174.700 0.181 0.000 1.919 805 T CA 1.490 63.609 62.100 0.032 0.000 2.973 805 T CB -1.497 67.361 68.868 -0.017 0.000 2.373 805 T HN 1.792 nan 8.240 nan 0.000 1.071 806 S N 0.350 116.117 115.700 0.112 0.000 2.690 806 S HA 0.659 5.130 4.470 0.001 0.000 0.285 806 S C -0.128 174.454 174.600 -0.030 0.000 1.135 806 S CA -0.568 57.685 58.200 0.088 0.000 1.020 806 S CB 1.235 64.445 63.200 0.016 0.000 1.159 806 S HN 0.580 nan 8.310 nan 0.000 0.534 807 Q N 1.590 121.321 119.800 -0.115 0.000 2.340 807 Q HA 0.413 4.753 4.340 0.001 0.000 0.249 807 Q C -2.398 173.552 176.000 -0.083 0.000 0.957 807 Q CA -1.389 54.314 55.803 -0.167 0.000 0.882 807 Q CB 0.290 28.951 28.738 -0.128 0.000 1.235 807 Q HN 0.364 nan 8.270 nan 0.000 0.439 808 P HA -0.060 nan 4.420 nan 0.000 0.266 808 P C -0.738 176.587 177.300 0.042 0.000 1.195 808 P CA 0.015 63.091 63.100 -0.040 0.000 0.768 808 P CB 0.624 32.270 31.700 -0.091 0.000 0.838 809 S N 2.700 118.424 115.700 0.040 0.000 2.546 809 S HA 0.123 4.593 4.470 0.001 0.000 0.290 809 S C 1.583 176.243 174.600 0.100 0.000 1.262 809 S CA 0.108 58.345 58.200 0.062 0.000 1.083 809 S CB -0.413 62.823 63.200 0.060 0.000 0.859 809 S HN 0.458 nan 8.310 nan 0.000 0.495 810 A N 5.895 128.778 122.820 0.105 0.000 1.933 810 A HA -0.120 4.200 4.320 0.001 0.000 0.218 810 A C 2.092 179.766 177.584 0.151 0.000 1.175 810 A CA 1.574 53.689 52.037 0.130 0.000 0.628 810 A CB -0.690 18.398 19.000 0.146 0.000 0.814 810 A HN 0.957 nan 8.150 nan 0.000 0.444 811 N N 0.233 119.014 118.700 0.135 0.000 2.069 811 N HA -0.131 4.610 4.740 0.001 0.000 0.191 811 N C 1.941 177.610 175.510 0.265 0.000 1.031 811 N CA 1.660 54.808 53.050 0.164 0.000 0.852 811 N CB -0.211 38.351 38.487 0.125 0.000 1.018 811 N HN 0.455 nan 8.380 nan 0.000 0.423 812 S N 1.435 117.257 115.700 0.204 0.000 2.368 812 S HA -0.082 4.389 4.470 0.001 0.000 0.225 812 S C 1.967 176.700 174.600 0.221 0.000 1.030 812 S CA 0.556 58.882 58.200 0.208 0.000 0.999 812 S CB -0.317 62.957 63.200 0.124 0.000 0.844 812 S HN 0.174 nan 8.310 nan 0.000 0.459 813 L N 0.792 122.121 121.223 0.177 0.000 2.131 813 L HA -0.034 4.307 4.340 0.001 0.000 0.210 813 L C 1.936 178.886 176.870 0.133 0.000 1.092 813 L CA 1.580 56.505 54.840 0.142 0.000 0.759 813 L CB -0.925 41.212 42.059 0.129 0.000 0.903 813 L HN 0.358 nan 8.230 nan 0.000 0.435 814 Y N -1.099 119.217 120.300 0.025 0.000 2.128 814 Y HA -0.334 4.216 4.550 0.001 0.000 0.284 814 Y C 2.093 177.919 175.900 -0.123 0.000 1.154 814 Y CA 2.174 60.217 58.100 -0.096 0.000 1.149 814 Y CB -0.364 37.951 38.460 -0.241 0.000 0.976 814 Y HN 0.276 nan 8.280 nan 0.000 0.505 815 Y N -1.022 119.417 120.300 0.232 0.000 2.475 815 Y HA 0.051 4.602 4.550 0.001 0.000 0.289 815 Y C 2.435 178.391 175.900 0.094 0.000 1.121 815 Y CA 0.468 58.657 58.100 0.150 0.000 1.257 815 Y CB -0.463 38.097 38.460 0.166 0.000 1.026 815 Y HN 0.205 nan 8.280 nan 0.000 0.555 816 A N -0.037 122.918 122.820 0.226 0.000 2.015 816 A HA -0.081 4.239 4.320 0.001 0.000 0.219 816 A C 1.784 179.478 177.584 0.183 0.000 1.163 816 A CA 1.166 53.306 52.037 0.171 0.000 0.646 816 A CB -0.757 18.308 19.000 0.108 0.000 0.806 816 A HN 0.498 nan 8.150 nan 0.000 0.448 817 L N -0.102 121.193 121.223 0.120 0.000 2.628 817 L HA 0.092 4.432 4.340 0.001 0.000 0.229 817 L C 0.002 176.997 176.870 0.209 0.000 1.137 817 L CA -0.355 54.585 54.840 0.167 0.000 0.909 817 L CB -0.497 41.572 42.059 0.017 0.000 1.137 817 L HN 0.332 nan 8.230 nan 0.000 0.470 818 N N 0.776 119.557 118.700 0.135 0.000 2.447 818 N HA 0.158 4.899 4.740 0.001 0.000 0.263 818 N C 1.177 176.689 175.510 0.004 0.000 1.226 818 N CA 0.682 53.761 53.050 0.049 0.000 0.906 818 N CB 0.669 39.201 38.487 0.075 0.000 1.060 818 N HN 0.291 nan 8.380 nan 0.000 0.468 819 G N 1.886 110.638 108.800 -0.081 0.000 2.268 819 G HA2 -0.294 3.666 3.960 0.001 0.000 0.240 819 G HA3 -0.294 3.666 3.960 0.001 0.000 0.240 819 G C -0.030 174.693 174.900 -0.295 0.000 1.010 819 G CA -0.332 44.631 45.100 -0.229 0.000 0.618 819 G HN 0.488 nan 8.290 nan 0.000 0.516 820 F N 1.263 121.207 119.950 -0.010 0.000 2.371 820 F HA 0.524 5.052 4.527 0.001 0.000 0.329 820 F C -0.097 175.704 175.800 0.002 0.000 1.107 820 F CA -1.552 56.445 58.000 -0.005 0.000 1.137 820 F CB 0.815 39.812 39.000 -0.005 0.000 1.214 820 F HN -0.157 nan 8.300 nan 0.000 0.536 821 P HA -0.172 nan 4.420 nan 0.000 0.216 821 P C -0.251 177.099 177.300 0.083 0.000 1.167 821 P CA 1.628 64.792 63.100 0.106 0.000 0.914 821 P CB 0.147 31.898 31.700 0.085 0.000 0.793 822 R N -0.476 120.057 120.500 0.055 0.000 2.407 822 R HA 0.385 4.725 4.340 0.001 0.000 0.303 822 R C 0.110 176.400 176.300 -0.016 0.000 0.981 822 R CA -0.541 55.532 56.100 -0.046 0.000 0.905 822 R CB 0.803 31.045 30.300 -0.097 0.000 1.099 822 R HN 0.415 nan 8.270 nan 0.000 0.459 823 H N -0.414 118.604 119.070 -0.086 0.000 2.670 823 H HA 0.439 4.995 4.556 0.001 0.000 0.361 823 H C -0.959 174.286 175.328 -0.138 0.000 1.169 823 H CA -1.174 54.787 56.048 -0.145 0.000 1.198 823 H CB 0.949 30.590 29.762 -0.200 0.000 1.700 823 H HN 0.290 nan 8.280 nan 0.000 0.542 824 L N 1.478 122.672 121.223 -0.049 0.000 2.319 824 L HA 0.265 4.605 4.340 0.001 0.000 0.280 824 L C 0.330 177.276 176.870 0.126 0.000 1.099 824 L CA -0.098 54.742 54.840 -0.002 0.000 0.828 824 L CB 0.531 42.616 42.059 0.043 0.000 1.150 824 L HN 0.752 nan 8.230 nan 0.000 0.442 825 R N 4.106 124.655 120.500 0.081 0.000 2.272 825 R HA 0.408 4.748 4.340 0.001 0.000 0.334 825 R C -0.683 175.714 176.300 0.161 0.000 1.117 825 R CA 0.297 56.475 56.100 0.130 0.000 0.966 825 R CB 0.080 30.418 30.300 0.063 0.000 1.049 825 R HN 0.866 nan 8.270 nan 0.000 0.477 826 T N 1.305 115.973 114.554 0.190 0.000 2.686 826 T HA 0.034 4.385 4.350 0.001 0.000 0.308 826 T C -2.030 172.655 174.700 -0.026 0.000 1.667 826 T CA -0.806 61.357 62.100 0.105 0.000 0.987 826 T CB 1.347 70.300 68.868 0.143 0.000 1.652 826 T HN 0.514 nan 8.240 nan 0.000 0.496 827 D N 1.492 121.806 120.400 -0.144 0.000 2.359 827 D HA 0.378 5.019 4.640 0.001 0.000 0.230 827 D C 1.301 177.409 176.300 -0.319 0.000 1.118 827 D CA -0.618 53.250 54.000 -0.220 0.000 0.844 827 D CB 0.610 41.286 40.800 -0.207 0.000 1.059 827 D HN 0.430 nan 8.370 nan 0.000 0.493 828 I N 3.339 123.635 120.570 -0.457 0.000 2.162 828 I HA -0.071 4.099 4.170 0.001 0.000 0.238 828 I C 2.228 178.205 176.117 -0.233 0.000 1.076 828 I CA 0.726 61.718 61.300 -0.514 0.000 1.353 828 I CB -0.763 36.751 38.000 -0.810 0.000 1.063 828 I HN 0.411 nan 8.210 nan 0.000 0.408 829 E N 1.725 121.828 120.200 -0.162 0.000 2.118 829 E HA -0.169 4.181 4.350 0.001 0.000 0.195 829 E C 2.283 178.843 176.600 -0.067 0.000 0.992 829 E CA 1.843 58.203 56.400 -0.066 0.000 0.804 829 E CB -0.793 28.883 29.700 -0.041 0.000 0.741 829 E HN 0.442 nan 8.360 nan 0.000 0.458 830 G N 0.206 108.933 108.800 -0.122 0.000 2.402 830 G HA2 -0.226 3.734 3.960 0.001 0.000 0.216 830 G HA3 -0.226 3.734 3.960 0.001 0.000 0.216 830 G C 1.651 176.458 174.900 -0.155 0.000 1.162 830 G CA 0.972 45.987 45.100 -0.140 0.000 0.777 830 G HN 0.253 nan 8.290 nan 0.000 0.539 831 M N 0.350 119.836 119.600 -0.190 0.000 2.175 831 M HA -0.017 4.464 4.480 0.001 0.000 0.264 831 M C 2.496 178.764 176.300 -0.054 0.000 1.063 831 M CA 0.944 56.157 55.300 -0.145 0.000 1.119 831 M CB -0.266 32.252 32.600 -0.136 0.000 1.377 831 M HN 0.198 nan 8.290 nan 0.000 0.415 832 E N -0.160 120.012 120.200 -0.047 0.000 2.051 832 E HA -0.174 4.177 4.350 0.001 0.000 0.192 832 E C 2.036 178.637 176.600 0.002 0.000 0.991 832 E CA 1.452 57.822 56.400 -0.049 0.000 0.799 832 E CB -0.578 29.138 29.700 0.027 0.000 0.748 832 E HN 0.375 nan 8.360 nan 0.000 0.449 833 S N 0.521 116.269 115.700 0.080 0.000 2.368 833 S HA -0.094 4.376 4.470 0.001 0.000 0.225 833 S C 2.107 176.792 174.600 0.142 0.000 1.030 833 S CA 0.695 58.978 58.200 0.140 0.000 0.999 833 S CB -0.147 63.090 63.200 0.061 0.000 0.844 833 S HN 0.162 nan 8.310 nan 0.000 0.459 834 L N 0.713 121.993 121.223 0.096 0.000 2.056 834 L HA -0.044 4.296 4.340 0.001 0.000 0.207 834 L C 2.866 179.939 176.870 0.337 0.000 1.078 834 L CA 1.386 56.354 54.840 0.214 0.000 0.749 834 L CB -0.715 41.453 42.059 0.181 0.000 0.901 834 L HN 0.385 nan 8.230 nan 0.000 0.433 835 S N -1.050 114.747 115.700 0.162 0.000 2.370 835 S HA -0.215 4.255 4.470 0.001 0.000 0.226 835 S C 2.051 176.702 174.600 0.085 0.000 1.033 835 S CA 1.116 59.374 58.200 0.096 0.000 1.011 835 S CB -0.260 62.887 63.200 -0.088 0.000 0.852 835 S HN 0.445 nan 8.310 nan 0.000 0.457 836 H N -0.879 118.282 119.070 0.152 0.000 2.389 836 H HA -0.064 4.493 4.556 0.001 0.000 0.299 836 H C 1.934 177.320 175.328 0.097 0.000 1.081 836 H CA 1.671 57.782 56.048 0.106 0.000 1.345 836 H CB -0.807 29.003 29.762 0.080 0.000 1.393 836 H HN 0.674 nan 8.280 nan 0.000 0.520 837 Y N 0.050 120.416 120.300 0.111 0.000 2.114 837 Y HA -0.239 4.311 4.550 0.001 0.000 0.284 837 Y C 2.053 177.891 175.900 -0.103 0.000 1.143 837 Y CA 1.453 59.520 58.100 -0.055 0.000 1.135 837 Y CB -0.746 37.614 38.460 -0.167 0.000 0.980 837 Y HN 0.041 nan 8.280 nan 0.000 0.499 838 W N -0.252 121.066 121.300 0.030 0.000 2.595 838 W HA -0.071 4.589 4.660 0.001 0.000 0.257 838 W C 2.925 179.381 176.519 -0.104 0.000 1.267 838 W CA 1.073 58.376 57.345 -0.069 0.000 1.300 838 W CB -0.315 29.215 29.460 0.118 0.000 1.120 838 W HN 0.074 nan 8.180 nan 0.000 0.618 839 S N -0.538 115.243 115.700 0.136 0.000 2.368 839 S HA -0.156 4.315 4.470 0.001 0.000 0.224 839 S C 1.814 176.402 174.600 -0.021 0.000 1.029 839 S CA 2.024 60.272 58.200 0.080 0.000 0.988 839 S CB -0.399 62.862 63.200 0.101 0.000 0.838 839 S HN 0.157 nan 8.310 nan 0.000 0.462 840 T N 1.339 115.814 114.554 -0.131 0.000 2.812 840 T HA 0.016 4.367 4.350 0.001 0.000 0.264 840 T C 1.860 176.223 174.700 -0.563 0.000 1.042 840 T CA 1.243 63.197 62.100 -0.243 0.000 1.140 840 T CB -0.395 68.345 68.868 -0.212 0.000 0.870 840 T HN 0.227 nan 8.240 nan 0.000 0.445 841 V N 1.806 121.290 119.914 -0.716 0.000 2.287 841 V HA -0.192 3.929 4.120 0.001 0.000 0.248 841 V C 2.602 178.451 176.094 -0.408 0.000 1.053 841 V CA 1.827 63.563 62.300 -0.940 0.000 1.027 841 V CB -0.625 30.745 31.823 -0.755 0.000 0.646 841 V HN 0.377 nan 8.190 nan 0.000 0.447 842 R N -0.393 120.103 120.500 -0.007 0.000 2.170 842 R HA -0.207 4.134 4.340 0.001 0.000 0.242 842 R C 2.265 178.680 176.300 0.192 0.000 1.145 842 R CA 1.921 58.147 56.100 0.210 0.000 0.984 842 R CB -0.458 29.948 30.300 0.176 0.000 0.869 842 R HN 0.481 nan 8.270 nan 0.000 0.455 843 T N -0.203 114.355 114.554 0.007 0.000 2.962 843 T HA -0.080 4.270 4.350 0.001 0.000 0.270 843 T C 1.081 175.929 174.700 0.247 0.000 1.088 843 T CA 0.990 63.163 62.100 0.121 0.000 1.127 843 T CB -0.202 68.740 68.868 0.123 0.000 0.883 843 T HN 0.459 nan 8.240 nan 0.000 0.493 844 Y N -0.971 119.328 120.300 -0.002 0.000 2.421 844 Y HA -0.075 4.476 4.550 0.001 0.000 0.292 844 Y C 0.845 176.740 175.900 -0.009 0.000 1.136 844 Y CA 0.244 58.215 58.100 -0.215 0.000 1.255 844 Y CB -0.050 38.116 38.460 -0.491 0.000 0.991 844 Y HN 0.286 nan 8.280 nan 0.000 0.552 845 Y N -0.579 119.973 120.300 0.420 0.000 2.801 845 Y HA 0.108 4.658 4.550 0.001 0.000 0.318 845 Y C 1.749 177.822 175.900 0.288 0.000 1.073 845 Y CA -0.474 57.892 58.100 0.444 0.000 1.360 845 Y CB -0.085 38.631 38.460 0.426 0.000 1.220 845 Y HN 0.045 nan 8.280 nan 0.000 0.536 846 S N -1.799 114.080 115.700 0.299 0.000 2.507 846 S HA -0.151 4.320 4.470 0.001 0.000 0.235 846 S C 1.227 175.846 174.600 0.032 0.000 0.988 846 S CA 1.107 59.410 58.200 0.172 0.000 0.944 846 S CB -0.014 63.281 63.200 0.159 0.000 0.762 846 S HN 0.465 nan 8.310 nan 0.000 0.526 847 D N 0.475 120.793 120.400 -0.136 0.000 2.317 847 D HA 0.071 4.712 4.640 0.001 0.000 0.211 847 D C 0.326 176.288 176.300 -0.565 0.000 0.966 847 D CA 0.806 54.534 54.000 -0.454 0.000 0.876 847 D CB -0.052 40.260 40.800 -0.815 0.000 0.927 847 D HN 0.559 nan 8.370 nan 0.000 0.519 848 F N 0.921 120.888 119.950 0.029 0.000 2.639 848 F HA 0.163 4.690 4.527 0.001 0.000 0.302 848 F C 1.294 177.117 175.800 0.038 0.000 1.097 848 F CA -0.348 57.667 58.000 0.024 0.000 1.294 848 F CB 0.450 39.483 39.000 0.054 0.000 1.027 848 F HN -0.351 nan 8.300 nan 0.000 0.550 853 D N 1.561 121.958 120.400 -0.006 0.000 2.349 853 D HA 0.063 4.704 4.640 0.001 0.000 0.215 853 D C 0.930 177.233 176.300 0.005 0.000 1.016 853 D CA 0.121 54.114 54.000 -0.013 0.000 0.870 853 D CB -0.262 40.511 40.800 -0.046 0.000 0.917 853 D HN 0.632 nan 8.370 nan 0.000 0.524 854 I N -0.532 120.053 120.570 0.025 0.000 2.474 854 I HA 0.240 4.410 4.170 0.001 0.000 0.287 854 I C 0.818 176.955 176.117 0.034 0.000 1.048 854 I CA -0.738 60.589 61.300 0.045 0.000 1.383 854 I CB 1.358 39.406 38.000 0.080 0.000 1.412 854 I HN -0.218 nan 8.210 nan 0.000 0.531 855 K N 2.671 123.089 120.400 0.030 0.000 2.501 855 K HA 0.467 4.788 4.320 0.001 0.000 0.204 855 K C -0.424 176.189 176.600 0.020 0.000 1.067 855 K CA -0.399 55.902 56.287 0.025 0.000 1.060 855 K CB 0.520 33.034 32.500 0.022 0.000 0.873 855 K HN 0.588 nan 8.250 nan 0.000 0.540 856 S N 1.883 117.595 115.700 0.020 0.000 2.564 856 S HA 0.509 4.980 4.470 0.001 0.000 0.274 856 S C -2.853 171.747 174.600 0.001 0.000 1.124 856 S CA -1.240 56.967 58.200 0.012 0.000 0.869 856 S CB 1.797 65.006 63.200 0.014 0.000 1.105 856 S HN 0.132 nan 8.310 nan 0.000 0.472 857 P HA 0.183 nan 4.420 nan 0.000 0.271 857 P C -1.139 176.133 177.300 -0.047 0.000 1.216 857 P CA -0.294 62.786 63.100 -0.033 0.000 0.776 857 P CB 0.342 32.023 31.700 -0.031 0.000 0.881 858 N N 0.710 119.356 118.700 -0.091 0.000 2.372 858 N HA 0.204 4.945 4.740 0.001 0.000 0.285 858 N C 0.586 175.982 175.510 -0.189 0.000 1.008 858 N CA -0.384 52.592 53.050 -0.122 0.000 0.880 858 N CB 1.193 39.581 38.487 -0.166 0.000 1.239 858 N HN 0.317 nan 8.380 nan 0.000 0.484 859 T N -0.362 114.110 114.554 -0.136 0.000 3.069 859 T HA 0.125 4.475 4.350 0.001 0.000 0.252 859 T C 0.900 175.509 174.700 -0.151 0.000 1.053 859 T CA 0.152 62.171 62.100 -0.135 0.000 0.964 859 T CB 0.111 69.007 68.868 0.047 0.000 1.005 859 T HN 0.529 nan 8.240 nan 0.000 0.532 860 E N 1.112 121.209 120.200 -0.171 0.000 2.478 860 E HA 0.014 4.365 4.350 0.001 0.000 0.198 860 E C 1.494 177.785 176.600 -0.517 0.000 1.046 860 E CA 0.193 56.486 56.400 -0.179 0.000 0.870 860 E CB -0.126 29.544 29.700 -0.049 0.000 0.818 860 E HN 0.471 nan 8.360 nan 0.000 0.527 861 I N 0.227 120.404 120.570 -0.655 0.000 2.335 861 I HA -0.275 3.896 4.170 0.001 0.000 0.251 861 I C 1.684 177.410 176.117 -0.652 0.000 1.129 861 I CA 1.483 62.250 61.300 -0.888 0.000 1.402 861 I CB -1.347 36.285 38.000 -0.613 0.000 1.069 861 I HN 0.219 nan 8.210 nan 0.000 0.424 862 Y N 0.814 120.943 120.300 -0.286 0.000 2.639 862 Y HA -0.145 4.405 4.550 0.001 0.000 0.297 862 Y C 2.554 178.366 175.900 -0.146 0.000 1.151 862 Y CA 0.239 58.242 58.100 -0.162 0.000 1.335 862 Y CB -0.077 38.329 38.460 -0.091 0.000 0.994 862 Y HN 0.267 nan 8.280 nan 0.000 0.548 863 Q N -0.820 118.903 119.800 -0.128 0.000 2.240 863 Q HA -0.055 4.285 4.340 0.001 0.000 0.194 863 Q C 2.219 178.197 176.000 -0.036 0.000 0.982 863 Q CA 1.254 57.026 55.803 -0.051 0.000 0.842 863 Q CB -0.671 28.052 28.738 -0.025 0.000 0.941 863 Q HN 0.694 nan 8.270 nan 0.000 0.516 864 H N 0.519 119.583 119.070 -0.009 0.000 2.502 864 H HA 0.160 4.716 4.556 0.001 0.000 0.283 864 H C -0.285 175.039 175.328 -0.006 0.000 1.015 864 H CA 0.893 56.938 56.048 -0.005 0.000 1.298 864 H CB 0.120 29.790 29.762 -0.153 0.000 1.411 864 H HN 0.276 nan 8.280 nan 0.000 0.556 865 E N 0.295 120.411 120.200 -0.140 0.000 2.539 865 E HA -0.205 4.145 4.350 0.001 0.000 0.253 865 E C -0.633 175.996 176.600 0.049 0.000 1.145 865 E CA 0.401 56.775 56.400 -0.044 0.000 0.738 865 E CB -1.560 28.139 29.700 -0.000 0.000 1.308 865 E HN 0.561 nan 8.360 nan 0.000 0.409 866 M N 1.731 121.390 119.600 0.098 0.000 2.251 866 M HA 0.142 4.622 4.480 0.001 0.000 0.346 866 M C -1.844 174.448 176.300 -0.013 0.000 1.499 866 M CA -1.161 54.094 55.300 -0.074 0.000 1.128 866 M CB 0.116 32.546 32.600 -0.283 0.000 1.809 866 M HN -0.117 nan 8.290 nan 0.000 0.464 867 P HA 0.170 nan 4.420 nan 0.000 0.276 867 P C 0.657 177.896 177.300 -0.101 0.000 1.244 867 P CA 0.076 63.151 63.100 -0.042 0.000 0.801 867 P CB 0.687 32.389 31.700 0.003 0.000 1.006 868 G N 2.258 110.901 108.800 -0.262 0.000 2.679 868 G HA2 -0.380 3.581 3.960 0.001 0.000 0.373 868 G HA3 -0.380 3.581 3.960 0.001 0.000 0.373 868 G C 1.329 176.136 174.900 -0.155 0.000 1.114 868 G CA 1.173 46.048 45.100 -0.376 0.000 0.898 868 G HN 0.714 nan 8.290 nan 0.000 0.648 869 G N -0.717 108.029 108.800 -0.090 0.000 2.551 869 G HA2 0.125 4.085 3.960 0.001 0.000 0.216 869 G HA3 0.125 4.085 3.960 0.001 0.000 0.216 869 G C 1.558 176.463 174.900 0.009 0.000 1.137 869 G CA 1.508 46.593 45.100 -0.025 0.000 0.798 869 G HN 0.932 nan 8.290 nan 0.000 0.536 870 Q N 0.002 119.811 119.800 0.016 0.000 2.084 870 Q HA -0.280 4.060 4.340 0.001 0.000 0.215 870 Q C 0.835 176.857 176.000 0.036 0.000 1.020 870 Q CA 1.193 57.018 55.803 0.037 0.000 0.887 870 Q CB -0.673 28.090 28.738 0.042 0.000 0.975 870 Q HN 0.459 nan 8.270 nan 0.000 0.413 871 Y N 0.472 120.719 120.300 -0.089 0.000 2.697 871 Y HA 0.222 4.773 4.550 0.001 0.000 0.349 871 Y C 0.713 176.591 175.900 -0.035 0.000 1.120 871 Y CA 0.893 58.949 58.100 -0.074 0.000 1.468 871 Y CB 0.252 38.639 38.460 -0.123 0.000 1.182 871 Y HN 0.437 nan 8.280 nan 0.000 0.525 872 S N 2.438 117.926 115.700 -0.353 0.000 1.186 872 S HA -0.258 4.213 4.470 0.001 0.000 0.254 872 S C 1.265 175.759 174.600 -0.177 0.000 0.552 872 S CA 0.782 58.817 58.200 -0.275 0.000 0.931 872 S CB -1.691 61.444 63.200 -0.109 0.000 0.785 872 S HN 0.854 nan 8.310 nan 0.000 0.487 873 N N 1.186 119.836 118.700 -0.082 0.000 2.084 873 N HA -0.027 4.713 4.740 0.001 0.000 0.190 873 N C 1.596 177.092 175.510 -0.024 0.000 1.030 873 N CA 1.622 54.650 53.050 -0.036 0.000 0.849 873 N CB -0.170 38.322 38.487 0.008 0.000 1.012 873 N HN 0.377 nan 8.380 nan 0.000 0.423 874 L N 0.449 121.672 121.223 -0.001 0.000 2.376 874 L HA 0.052 4.392 4.340 0.001 0.000 0.219 874 L C 2.182 179.104 176.870 0.087 0.000 1.133 874 L CA 1.069 55.954 54.840 0.075 0.000 0.816 874 L CB -0.363 41.770 42.059 0.124 0.000 0.933 874 L HN 0.026 nan 8.230 nan 0.000 0.449 875 S N -1.301 114.303 115.700 -0.159 0.000 2.357 875 S HA -0.127 4.343 4.470 0.001 0.000 0.221 875 S C 1.849 176.225 174.600 -0.373 0.000 1.031 875 S CA 0.915 58.754 58.200 -0.602 0.000 0.982 875 S CB -0.049 62.590 63.200 -0.935 0.000 0.853 875 S HN 0.533 nan 8.310 nan 0.000 0.458 876 Q N 0.719 120.385 119.800 -0.224 0.000 2.230 876 Q HA 0.005 4.345 4.340 0.001 0.000 0.202 876 Q C 2.032 177.993 176.000 -0.065 0.000 0.963 876 Q CA 0.753 56.474 55.803 -0.138 0.000 0.866 876 Q CB -0.452 28.226 28.738 -0.101 0.000 0.931 876 Q HN 0.663 nan 8.270 nan 0.000 0.452 877 Q N 0.075 119.859 119.800 -0.027 0.000 2.123 877 Q HA -0.022 4.319 4.340 0.001 0.000 0.199 877 Q C 1.812 177.838 176.000 0.042 0.000 0.966 877 Q CA 1.037 56.854 55.803 0.024 0.000 0.845 877 Q CB 0.104 28.875 28.738 0.055 0.000 0.907 877 Q HN 0.346 nan 8.270 nan 0.000 0.439 878 A N 1.006 123.859 122.820 0.055 0.000 1.969 878 A HA -0.141 4.179 4.320 0.001 0.000 0.218 878 A C 1.957 179.560 177.584 0.031 0.000 1.169 878 A CA 1.024 53.117 52.037 0.094 0.000 0.635 878 A CB -0.207 18.942 19.000 0.247 0.000 0.810 878 A HN 0.149 nan 8.150 nan 0.000 0.445 879 K N 0.629 121.008 120.400 -0.035 0.000 2.002 879 K HA -0.129 4.191 4.320 0.001 0.000 0.209 879 K C 2.427 179.017 176.600 -0.016 0.000 1.048 879 K CA 1.751 58.010 56.287 -0.046 0.000 0.930 879 K CB -0.676 31.771 32.500 -0.088 0.000 0.714 879 K HN 0.668 nan 8.250 nan 0.000 0.438 880 S N 0.861 116.557 115.700 -0.008 0.000 2.399 880 S HA -0.099 4.371 4.470 0.001 0.000 0.231 880 S C 1.657 176.269 174.600 0.019 0.000 1.022 880 S CA 0.816 59.019 58.200 0.006 0.000 0.983 880 S CB -0.243 62.964 63.200 0.012 0.000 0.803 880 S HN 0.110 nan 8.310 nan 0.000 0.480 881 L N 1.864 123.105 121.223 0.030 0.000 2.737 881 L HA 0.442 4.782 4.340 0.001 0.000 0.236 881 L C 1.417 178.306 176.870 0.031 0.000 1.219 881 L CA 0.578 55.441 54.840 0.038 0.000 1.021 881 L CB -0.315 41.777 42.059 0.056 0.000 1.291 881 L HN 0.516 nan 8.230 nan 0.000 0.470 882 G N 0.423 109.236 108.800 0.021 0.000 2.221 882 G HA2 -0.275 3.685 3.960 0.001 0.000 0.265 882 G HA3 -0.275 3.685 3.960 0.001 0.000 0.265 882 G C 0.087 175.001 174.900 0.023 0.000 1.041 882 G CA 0.175 45.285 45.100 0.017 0.000 0.807 882 G HN 0.307 nan 8.290 nan 0.000 0.502 883 L N -0.060 121.183 121.223 0.034 0.000 2.488 883 L HA 0.525 4.865 4.340 0.001 0.000 0.250 883 L C 1.523 178.429 176.870 0.060 0.000 1.280 883 L CA -0.115 54.758 54.840 0.054 0.000 0.929 883 L CB 0.807 42.913 42.059 0.078 0.000 1.200 883 L HN 0.164 nan 8.230 nan 0.000 0.495 884 G N -0.173 108.641 108.800 0.024 0.000 2.539 884 G HA2 -0.132 3.828 3.960 0.001 0.000 0.215 884 G HA3 -0.132 3.828 3.960 0.001 0.000 0.215 884 G C 1.147 176.066 174.900 0.032 0.000 1.141 884 G CA 0.344 45.440 45.100 -0.008 0.000 0.806 884 G HN 0.513 nan 8.290 nan 0.000 0.533 885 E N 1.163 121.391 120.200 0.047 0.000 2.014 885 E HA 0.028 4.378 4.350 0.001 0.000 0.190 885 E C 2.215 178.871 176.600 0.093 0.000 0.980 885 E CA 0.585 57.019 56.400 0.057 0.000 0.807 885 E CB -0.208 29.513 29.700 0.036 0.000 0.770 885 E HN 0.241 nan 8.360 nan 0.000 0.451 886 R N -0.212 120.340 120.500 0.086 0.000 2.346 886 R HA 0.026 4.367 4.340 0.001 0.000 0.208 886 R C 1.267 177.631 176.300 0.106 0.000 1.052 886 R CA 0.075 56.221 56.100 0.077 0.000 1.116 886 R CB -0.482 29.845 30.300 0.046 0.000 1.003 886 R HN 0.232 nan 8.270 nan 0.000 0.482 887 F N 2.524 122.472 119.950 -0.004 0.000 2.333 887 F HA -0.218 4.309 4.527 0.001 0.000 0.300 887 F C 1.868 177.674 175.800 0.011 0.000 1.083 887 F CA 1.553 59.547 58.000 -0.009 0.000 1.395 887 F CB 0.055 39.033 39.000 -0.037 0.000 1.056 887 F HN 0.155 nan 8.300 nan 0.000 0.529 888 D N 0.395 120.818 120.400 0.038 0.000 2.149 888 D HA -0.245 4.395 4.640 0.001 0.000 0.201 888 D C 1.549 177.807 176.300 -0.069 0.000 0.972 888 D CA 1.626 55.616 54.000 -0.016 0.000 0.835 888 D CB -1.037 39.795 40.800 0.053 0.000 0.966 888 D HN 0.671 nan 8.370 nan 0.000 0.476 889 E N 0.821 120.993 120.200 -0.046 0.000 2.481 889 E HA 0.027 4.378 4.350 0.001 0.000 0.195 889 E C 1.879 178.438 176.600 -0.067 0.000 1.047 889 E CA 0.086 56.462 56.400 -0.039 0.000 0.867 889 E CB 0.107 29.800 29.700 -0.011 0.000 0.858 889 E HN 0.104 nan 8.360 nan 0.000 0.513 890 V N 1.776 121.605 119.914 -0.142 0.000 2.379 890 V HA -0.190 3.930 4.120 0.001 0.000 0.245 890 V C 2.195 178.164 176.094 -0.209 0.000 1.044 890 V CA 1.782 63.976 62.300 -0.177 0.000 1.036 890 V CB -0.374 31.296 31.823 -0.255 0.000 0.664 890 V HN 0.208 nan 8.190 nan 0.000 0.453 891 K N -0.016 120.167 120.400 -0.361 0.000 2.147 891 K HA -0.233 4.087 4.320 0.001 0.000 0.205 891 K C 1.892 178.474 176.600 -0.029 0.000 1.049 891 K CA 1.776 57.906 56.287 -0.262 0.000 0.936 891 K CB -0.235 32.095 32.500 -0.285 0.000 0.722 891 K HN 0.437 nan 8.250 nan 0.000 0.446 892 D N 0.540 120.928 120.400 -0.020 0.000 2.162 892 D HA -0.106 4.534 4.640 0.001 0.000 0.203 892 D C 1.807 178.140 176.300 0.055 0.000 0.967 892 D CA 0.789 54.810 54.000 0.035 0.000 0.840 892 D CB 0.146 40.955 40.800 0.016 0.000 0.972 892 D HN -0.070 nan 8.370 nan 0.000 0.482 893 M N -0.801 118.817 119.600 0.030 0.000 2.229 893 M HA -0.068 4.413 4.480 0.001 0.000 0.264 893 M C 1.668 177.990 176.300 0.036 0.000 1.063 893 M CA 1.114 56.430 55.300 0.027 0.000 1.114 893 M CB -0.602 32.005 32.600 0.012 0.000 1.387 893 M HN 0.173 nan 8.290 nan 0.000 0.420 894 Y N -0.018 120.247 120.300 -0.058 0.000 2.128 894 Y HA -0.305 4.246 4.550 0.001 0.000 0.284 894 Y C 2.621 178.504 175.900 -0.030 0.000 1.154 894 Y CA 2.353 60.418 58.100 -0.059 0.000 1.149 894 Y CB -0.204 38.225 38.460 -0.052 0.000 0.976 894 Y HN 0.223 nan 8.280 nan 0.000 0.505 895 R N 0.156 120.816 120.500 0.265 0.000 2.096 895 R HA -0.157 4.183 4.340 0.001 0.000 0.235 895 R C 2.288 178.729 176.300 0.236 0.000 1.127 895 R CA 1.614 57.864 56.100 0.251 0.000 0.968 895 R CB -0.155 30.295 30.300 0.249 0.000 0.861 895 R HN 0.311 nan 8.270 nan 0.000 0.440 896 R N -0.425 120.153 120.500 0.130 0.000 2.090 896 R HA -0.033 4.307 4.340 0.001 0.000 0.228 896 R C 2.243 178.560 176.300 0.029 0.000 1.110 896 R CA 1.214 57.373 56.100 0.100 0.000 0.973 896 R CB -0.082 30.246 30.300 0.046 0.000 0.869 896 R HN 0.085 nan 8.270 nan 0.000 0.440 897 V N 1.956 121.795 119.914 -0.126 0.000 2.358 897 V HA -0.273 3.847 4.120 0.001 0.000 0.246 897 V C 2.255 178.041 176.094 -0.514 0.000 1.047 897 V CA 1.803 63.863 62.300 -0.399 0.000 1.035 897 V CB -0.767 30.710 31.823 -0.576 0.000 0.658 897 V HN 0.490 nan 8.190 nan 0.000 0.452 898 N N 0.275 118.749 118.700 -0.377 0.000 2.037 898 N HA -0.260 4.480 4.740 0.001 0.000 0.196 898 N C 1.930 177.304 175.510 -0.226 0.000 1.034 898 N CA 2.199 55.038 53.050 -0.352 0.000 0.861 898 N CB -0.272 38.010 38.487 -0.343 0.000 1.039 898 N HN 0.456 nan 8.380 nan 0.000 0.427 899 F N 1.273 121.194 119.950 -0.049 0.000 2.206 899 F HA 0.051 4.579 4.527 0.001 0.000 0.298 899 F C 2.505 178.346 175.800 0.068 0.000 1.090 899 F CA 0.311 58.321 58.000 0.016 0.000 1.323 899 F CB -0.366 38.640 39.000 0.010 0.000 1.028 899 F HN 0.047 nan 8.300 nan 0.000 0.492 900 L N -0.944 120.422 121.223 0.239 0.000 2.079 900 L HA -0.251 4.090 4.340 0.001 0.000 0.210 900 L C 1.852 179.008 176.870 0.477 0.000 1.081 900 L CA 1.385 56.395 54.840 0.283 0.000 0.752 900 L CB -0.361 41.833 42.059 0.225 0.000 0.896 900 L HN 0.089 nan 8.230 nan 0.000 0.433 901 F N 0.062 120.085 119.950 0.121 0.000 2.811 901 F HA 0.183 4.710 4.527 0.001 0.000 0.301 901 F C 1.783 177.601 175.800 0.029 0.000 1.151 901 F CA 0.540 58.620 58.000 0.132 0.000 1.412 901 F CB -0.697 38.339 39.000 0.059 0.000 1.113 901 F HN 0.244 nan 8.300 nan 0.000 0.579 902 G N 0.511 109.429 108.800 0.197 0.000 2.134 902 G HA2 -0.247 3.713 3.960 0.001 0.000 0.209 902 G HA3 -0.247 3.713 3.960 0.001 0.000 0.209 902 G C -0.086 174.816 174.900 0.002 0.000 0.993 902 G CA -0.112 45.030 45.100 0.070 0.000 0.669 902 G HN 0.354 nan 8.290 nan 0.000 0.519 903 D N -0.349 120.020 120.400 -0.053 0.000 3.830 903 D HA -0.134 4.507 4.640 0.001 0.000 0.247 903 D C 0.560 176.859 176.300 -0.002 0.000 1.073 903 D CA 1.259 55.149 54.000 -0.184 0.000 1.116 903 D CB -1.160 39.546 40.800 -0.156 0.000 0.909 903 D HN 1.494 nan 8.370 nan 0.000 0.418 904 I N -0.932 119.602 120.570 -0.060 0.000 2.947 904 I HA 0.676 4.846 4.170 0.001 0.000 0.314 904 I C 0.073 176.135 176.117 -0.091 0.000 1.028 904 I CA -0.866 60.434 61.300 0.000 0.000 1.077 904 I CB 1.245 39.235 38.000 -0.016 0.000 1.274 904 I HN -0.028 nan 8.210 nan 0.000 0.485 905 V N 3.601 123.490 119.914 -0.042 0.000 2.521 905 V HA 0.149 4.270 4.120 0.001 0.000 0.286 905 V C 0.580 176.657 176.094 -0.027 0.000 1.034 905 V CA -0.202 62.052 62.300 -0.076 0.000 1.045 905 V CB 0.182 32.028 31.823 0.039 0.000 0.974 905 V HN 0.639 nan 8.190 nan 0.000 0.480 906 K N 4.683 125.068 120.400 -0.026 0.000 2.423 906 K HA 0.590 4.910 4.320 0.001 0.000 0.234 906 K C -1.041 175.606 176.600 0.078 0.000 1.051 906 K CA -0.219 56.081 56.287 0.023 0.000 1.021 906 K CB 1.205 33.734 32.500 0.048 0.000 1.474 906 K HN 0.540 nan 8.250 nan 0.000 0.474 907 V N -0.442 119.541 119.914 0.115 0.000 3.102 907 V HA 0.310 4.431 4.120 0.001 0.000 0.312 907 V C 0.380 176.584 176.094 0.184 0.000 1.135 907 V CA -1.256 61.139 62.300 0.160 0.000 1.022 907 V CB 1.823 33.793 31.823 0.246 0.000 1.056 907 V HN 0.559 nan 8.190 nan 0.000 0.436 908 T N 3.594 118.264 114.554 0.193 0.000 2.849 908 T HA 0.089 4.440 4.350 0.001 0.000 0.289 908 T C -1.374 173.452 174.700 0.210 0.000 1.010 908 T CA 0.128 62.343 62.100 0.191 0.000 1.161 908 T CB 0.567 69.549 68.868 0.191 0.000 0.989 908 T HN 0.705 nan 8.240 nan 0.000 0.523 909 P HA 0.133 nan 4.420 nan 0.000 0.267 909 P C 1.419 178.766 177.300 0.078 0.000 1.289 909 P CA 0.048 63.221 63.100 0.122 0.000 0.866 909 P CB 0.034 31.806 31.700 0.121 0.000 1.309 910 S N 0.716 116.450 115.700 0.058 0.000 2.400 910 S HA -0.189 4.281 4.470 0.001 0.000 0.232 910 S C 2.038 176.595 174.600 -0.070 0.000 1.025 910 S CA 1.895 60.065 58.200 -0.051 0.000 0.993 910 S CB -1.635 61.543 63.200 -0.038 0.000 0.808 910 S HN 0.317 nan 8.310 nan 0.000 0.478 911 S N 1.888 117.604 115.700 0.027 0.000 2.383 911 S HA -0.036 4.435 4.470 0.001 0.000 0.227 911 S C 1.886 176.540 174.600 0.089 0.000 1.026 911 S CA 1.014 59.260 58.200 0.078 0.000 0.981 911 S CB -0.596 62.691 63.200 0.145 0.000 0.818 911 S HN 0.578 nan 8.310 nan 0.000 0.472 912 K N 1.016 121.467 120.400 0.085 0.000 2.148 912 K HA -0.009 4.311 4.320 0.001 0.000 0.204 912 K C 1.960 178.596 176.600 0.061 0.000 1.050 912 K CA 1.167 57.511 56.287 0.095 0.000 0.942 912 K CB -0.352 32.210 32.500 0.104 0.000 0.724 912 K HN 0.369 nan 8.250 nan 0.000 0.446 913 V N 0.878 120.798 119.914 0.011 0.000 2.261 913 V HA -0.233 3.888 4.120 0.001 0.000 0.246 913 V C 2.428 178.514 176.094 -0.014 0.000 1.047 913 V CA 1.516 63.822 62.300 0.010 0.000 1.015 913 V CB -0.277 31.484 31.823 -0.104 0.000 0.642 913 V HN 0.091 nan 8.190 nan 0.000 0.446 914 V N 0.994 120.800 119.914 -0.181 0.000 2.332 914 V HA -0.205 3.915 4.120 0.001 0.000 0.248 914 V C 2.644 178.507 176.094 -0.385 0.000 1.055 914 V CA 2.243 64.273 62.300 -0.450 0.000 1.038 914 V CB -1.570 29.785 31.823 -0.781 0.000 0.651 914 V HN 0.611 nan 8.190 nan 0.000 0.450 915 G N -0.372 108.334 108.800 -0.156 0.000 2.446 915 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 915 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 915 G C 1.284 176.247 174.900 0.105 0.000 1.168 915 G CA 1.077 46.256 45.100 0.131 0.000 0.771 915 G HN 0.479 nan 8.290 nan 0.000 0.551 916 D N -0.010 120.447 120.400 0.096 0.000 2.104 916 D HA -0.124 4.516 4.640 0.001 0.000 0.194 916 D C 2.338 178.733 176.300 0.157 0.000 0.994 916 D CA 1.229 55.305 54.000 0.126 0.000 0.830 916 D CB -0.294 40.575 40.800 0.116 0.000 0.959 916 D HN 0.281 nan 8.370 nan 0.000 0.452 917 M N 0.772 120.445 119.600 0.122 0.000 2.117 917 M HA -0.075 4.405 4.480 0.001 0.000 0.262 917 M C 1.907 178.292 176.300 0.140 0.000 1.065 917 M CA 1.566 56.967 55.300 0.169 0.000 1.114 917 M CB -0.301 32.372 32.600 0.122 0.000 1.361 917 M HN -0.020 nan 8.290 nan 0.000 0.408 918 A N -0.028 122.808 122.820 0.026 0.000 1.865 918 A HA -0.154 4.166 4.320 0.001 0.000 0.217 918 A C 2.108 179.746 177.584 0.091 0.000 1.191 918 A CA 1.888 53.945 52.037 0.034 0.000 0.623 918 A CB -1.275 17.744 19.000 0.031 0.000 0.826 918 A HN 0.552 nan 8.150 nan 0.000 0.444 919 L N -1.683 119.615 121.223 0.124 0.000 2.083 919 L HA -0.129 4.211 4.340 0.001 0.000 0.209 919 L C 2.268 179.228 176.870 0.149 0.000 1.083 919 L CA 2.238 57.156 54.840 0.130 0.000 0.752 919 L CB -1.029 41.117 42.059 0.146 0.000 0.899 919 L HN 0.567 nan 8.230 nan 0.000 0.433 920 Y N -1.166 119.178 120.300 0.074 0.000 2.263 920 Y HA -0.186 4.365 4.550 0.001 0.000 0.292 920 Y C 2.513 178.455 175.900 0.070 0.000 1.130 920 Y CA 1.834 59.980 58.100 0.077 0.000 1.179 920 Y CB -0.061 38.467 38.460 0.114 0.000 0.998 920 Y HN 0.200 nan 8.280 nan 0.000 0.532 921 M N -1.325 118.355 119.600 0.133 0.000 2.349 921 M HA -0.126 4.355 4.480 0.001 0.000 0.266 921 M C 1.744 178.029 176.300 -0.024 0.000 1.076 921 M CA 0.919 56.255 55.300 0.059 0.000 1.126 921 M CB -0.004 32.676 32.600 0.132 0.000 1.392 921 M HN 0.194 nan 8.290 nan 0.000 0.440 922 V N 0.031 119.938 119.914 -0.011 0.000 2.270 922 V HA -0.209 3.912 4.120 0.001 0.000 0.245 922 V C 1.311 177.372 176.094 -0.054 0.000 1.043 922 V CA 1.299 63.587 62.300 -0.020 0.000 1.014 922 V CB -0.609 31.215 31.823 0.001 0.000 0.645 922 V HN 0.485 nan 8.190 nan 0.000 0.447 923 Q N 0.041 119.792 119.800 -0.083 0.000 2.524 923 Q HA -0.029 4.311 4.340 0.001 0.000 0.246 923 Q C 0.866 176.738 176.000 -0.213 0.000 1.063 923 Q CA 0.565 56.290 55.803 -0.129 0.000 0.945 923 Q CB 0.222 28.878 28.738 -0.137 0.000 1.292 923 Q HN 0.620 nan 8.270 nan 0.000 0.518 924 N N 0.622 119.208 118.700 -0.191 0.000 2.895 924 N HA -0.227 4.514 4.740 0.001 0.000 0.237 924 N C -1.203 174.233 175.510 -0.124 0.000 0.934 924 N CA 1.367 54.300 53.050 -0.195 0.000 0.984 924 N CB -1.297 36.983 38.487 -0.345 0.000 1.089 924 N HN 0.795 nan 8.380 nan 0.000 0.604 925 D N -0.486 119.857 120.400 -0.095 0.000 3.357 925 D HA -0.168 4.472 4.640 0.001 0.000 0.238 925 D C -0.579 175.700 176.300 -0.036 0.000 1.126 925 D CA 0.763 54.732 54.000 -0.051 0.000 0.984 925 D CB -1.035 39.744 40.800 -0.035 0.000 0.925 925 D HN 0.437 nan 8.370 nan 0.000 0.414 926 L N 1.811 123.019 121.223 -0.026 0.000 2.386 926 L HA 0.517 4.857 4.340 0.001 0.000 0.271 926 L C -0.040 176.851 176.870 0.035 0.000 0.993 926 L CA -0.398 54.449 54.840 0.010 0.000 0.819 926 L CB 1.996 44.068 42.059 0.022 0.000 1.294 926 L HN 0.248 nan 8.230 nan 0.000 0.414 927 D N 0.546 120.973 120.400 0.045 0.000 2.689 927 D HA 0.344 4.984 4.640 0.001 0.000 0.255 927 D C 0.344 176.683 176.300 0.066 0.000 1.113 927 D CA -0.419 53.610 54.000 0.048 0.000 1.115 927 D CB 0.732 41.551 40.800 0.032 0.000 1.334 927 D HN 0.417 nan 8.370 nan 0.000 0.621 928 E N -1.327 118.908 120.200 0.059 0.000 2.204 928 E HA -0.119 4.232 4.350 0.001 0.000 0.195 928 E C 1.499 178.139 176.600 0.067 0.000 0.990 928 E CA 1.384 57.826 56.400 0.069 0.000 0.821 928 E CB 0.022 29.758 29.700 0.060 0.000 0.750 928 E HN 0.353 nan 8.360 nan 0.000 0.477 929 Q N -1.272 118.562 119.800 0.057 0.000 2.390 929 Q HA 0.078 4.419 4.340 0.001 0.000 0.216 929 Q C 2.037 178.073 176.000 0.060 0.000 0.916 929 Q CA 1.001 56.836 55.803 0.053 0.000 0.911 929 Q CB 0.231 28.994 28.738 0.042 0.000 1.035 929 Q HN 0.276 nan 8.270 nan 0.000 0.541 930 S N -0.477 115.260 115.700 0.062 0.000 2.447 930 S HA -0.074 4.396 4.470 0.001 0.000 0.233 930 S C 1.876 176.535 174.600 0.098 0.000 1.006 930 S CA 0.818 59.058 58.200 0.067 0.000 0.957 930 S CB -0.410 62.820 63.200 0.051 0.000 0.773 930 S HN 0.185 nan 8.310 nan 0.000 0.507 931 V N 0.751 120.739 119.914 0.124 0.000 2.913 931 V HA 0.109 4.229 4.120 0.001 0.000 0.260 931 V C 1.677 177.858 176.094 0.146 0.000 1.098 931 V CA 1.404 63.823 62.300 0.199 0.000 1.121 931 V CB -0.386 31.556 31.823 0.199 0.000 0.714 931 V HN 0.620 nan 8.190 nan 0.000 0.487 932 I N -1.629 118.986 120.570 0.076 0.000 3.300 932 I HA -0.036 4.134 4.170 0.001 0.000 0.279 932 I C 2.288 178.445 176.117 0.065 0.000 1.172 932 I CA 0.994 62.309 61.300 0.024 0.000 1.431 932 I CB -0.253 37.755 38.000 0.013 0.000 1.240 932 I HN 0.154 nan 8.210 nan 0.000 0.453 933 T N 0.235 114.839 114.554 0.083 0.000 2.746 933 T HA -0.129 4.221 4.350 0.001 0.000 0.267 933 T C 0.880 175.652 174.700 0.121 0.000 1.039 933 T CA 1.355 63.514 62.100 0.098 0.000 1.142 933 T CB -0.141 68.769 68.868 0.070 0.000 0.866 933 T HN 0.233 nan 8.240 nan 0.000 0.444 934 D N -0.036 120.427 120.400 0.105 0.000 2.501 934 D HA 0.243 4.884 4.640 0.001 0.000 0.224 934 D C 1.666 178.028 176.300 0.102 0.000 1.202 934 D CA 0.012 54.072 54.000 0.100 0.000 0.829 934 D CB 0.311 41.148 40.800 0.060 0.000 1.023 934 D HN 0.427 nan 8.370 nan 0.000 0.499 935 G N -0.139 108.732 108.800 0.118 0.000 2.623 935 G HA2 -0.184 3.776 3.960 0.001 0.000 0.214 935 G HA3 -0.184 3.776 3.960 0.001 0.000 0.214 935 G C 1.178 176.127 174.900 0.080 0.000 1.138 935 G CA 0.182 45.367 45.100 0.143 0.000 0.794 935 G HN 0.182 nan 8.290 nan 0.000 0.535 936 Y N 0.301 120.656 120.300 0.092 0.000 2.181 936 Y HA 0.038 4.589 4.550 0.001 0.000 0.288 936 Y C 1.739 177.656 175.900 0.028 0.000 1.146 936 Y CA 1.374 59.511 58.100 0.061 0.000 1.164 936 Y CB 0.241 38.721 38.460 0.033 0.000 0.982 936 Y HN 0.007 nan 8.280 nan 0.000 0.515 937 K N 0.188 120.678 120.400 0.151 0.000 2.655 937 K HA 0.241 4.561 4.320 0.001 0.000 0.213 937 K C -0.216 176.370 176.600 -0.023 0.000 1.126 937 K CA 0.093 56.414 56.287 0.056 0.000 1.076 937 K CB -0.051 32.480 32.500 0.051 0.000 1.644 937 K HN 0.090 nan 8.250 nan 0.000 0.523 938 L N 0.152 121.304 121.223 -0.117 0.000 2.854 938 L HA 0.322 4.662 4.340 0.001 0.000 0.249 938 L C -0.637 176.032 176.870 -0.334 0.000 1.091 938 L CA 0.561 55.237 54.840 -0.273 0.000 0.935 938 L CB 0.234 41.997 42.059 -0.494 0.000 1.367 938 L HN 0.628 nan 8.230 nan 0.000 0.524 939 D N 0.784 121.000 120.400 -0.307 0.000 3.729 939 D HA -0.247 4.394 4.640 0.001 0.000 0.242 939 D C -0.373 175.748 176.300 -0.299 0.000 1.091 939 D CA 0.450 54.342 54.000 -0.180 0.000 1.096 939 D CB -0.812 39.947 40.800 -0.069 0.000 0.901 939 D HN 0.046 nan 8.370 nan 0.000 0.416 940 F N 1.267 121.103 119.950 -0.190 0.000 2.403 940 F HA 0.371 4.898 4.527 0.001 0.000 0.320 940 F C -0.988 174.579 175.800 -0.387 0.000 1.176 940 F CA -1.288 56.451 58.000 -0.436 0.000 1.206 940 F CB -0.077 38.750 39.000 -0.288 0.000 1.235 940 F HN 0.084 nan 8.300 nan 0.000 0.565 941 P HA -0.022 nan 4.420 nan 0.000 0.267 941 P C 0.507 177.811 177.300 0.007 0.000 1.200 941 P CA 0.086 63.120 63.100 -0.109 0.000 0.772 941 P CB 0.544 32.204 31.700 -0.066 0.000 0.855 942 E N 1.554 121.771 120.200 0.027 0.000 2.085 942 E HA -0.217 4.134 4.350 0.001 0.000 0.194 942 E C 1.661 178.306 176.600 0.075 0.000 0.994 942 E CA 1.864 58.293 56.400 0.048 0.000 0.801 942 E CB -0.143 29.586 29.700 0.049 0.000 0.743 942 E HN 0.532 nan 8.360 nan 0.000 0.453 943 S N -0.280 115.476 115.700 0.092 0.000 2.399 943 S HA -0.120 4.350 4.470 0.001 0.000 0.231 943 S C 2.061 176.768 174.600 0.178 0.000 1.022 943 S CA 1.280 59.554 58.200 0.124 0.000 0.983 943 S CB -0.408 62.863 63.200 0.118 0.000 0.803 943 S HN 0.170 nan 8.310 nan 0.000 0.480 944 V N 2.611 122.631 119.914 0.178 0.000 2.379 944 V HA -0.096 4.024 4.120 0.001 0.000 0.245 944 V C 2.844 179.080 176.094 0.236 0.000 1.044 944 V CA 1.388 63.846 62.300 0.263 0.000 1.036 944 V CB -0.978 30.966 31.823 0.203 0.000 0.664 944 V HN 0.649 nan 8.190 nan 0.000 0.453 945 V N -1.836 118.139 119.914 0.102 0.000 2.515 945 V HA -0.154 3.967 4.120 0.001 0.000 0.250 945 V C 2.387 178.510 176.094 0.048 0.000 1.058 945 V CA 2.314 64.635 62.300 0.036 0.000 1.064 945 V CB -0.526 31.300 31.823 0.005 0.000 0.675 945 V HN 0.476 nan 8.190 nan 0.000 0.461 946 S N 0.192 115.944 115.700 0.086 0.000 2.357 946 S HA -0.157 4.313 4.470 0.001 0.000 0.221 946 S C 1.842 176.491 174.600 0.082 0.000 1.031 946 S CA 1.551 59.791 58.200 0.067 0.000 0.982 946 S CB -0.684 62.565 63.200 0.082 0.000 0.853 946 S HN 0.789 nan 8.310 nan 0.000 0.458 947 F N 0.850 120.808 119.950 0.013 0.000 2.134 947 F HA -0.014 4.513 4.527 0.001 0.000 0.299 947 F C 1.529 177.245 175.800 -0.140 0.000 1.097 947 F CA 1.528 59.515 58.000 -0.023 0.000 1.264 947 F CB -0.367 38.625 39.000 -0.012 0.000 1.001 947 F HN 0.260 nan 8.300 nan 0.000 0.479 948 F N 0.920 120.554 119.950 -0.527 0.000 2.699 948 F HA 0.027 4.554 4.527 0.001 0.000 0.298 948 F C 1.954 177.235 175.800 -0.866 0.000 1.154 948 F CA 0.865 58.278 58.000 -0.979 0.000 1.457 948 F CB -0.333 38.263 39.000 -0.673 0.000 1.106 948 F HN -0.099 nan 8.300 nan 0.000 0.585 949 K N -0.481 119.705 120.400 -0.355 0.000 2.400 949 K HA 0.172 4.492 4.320 0.001 0.000 0.194 949 K C 1.514 177.958 176.600 -0.260 0.000 1.033 949 K CA 0.713 56.838 56.287 -0.272 0.000 1.021 949 K CB 0.059 32.476 32.500 -0.137 0.000 0.808 949 K HN 0.287 nan 8.250 nan 0.000 0.505 950 G N 1.871 110.496 108.800 -0.292 0.000 2.141 950 G HA2 -0.271 3.690 3.960 0.001 0.000 0.242 950 G HA3 -0.271 3.690 3.960 0.001 0.000 0.242 950 G C 0.398 175.282 174.900 -0.027 0.000 0.982 950 G CA 0.314 45.333 45.100 -0.135 0.000 0.662 950 G HN 0.419 nan 8.290 nan 0.000 0.527 951 E N -0.878 119.307 120.200 -0.024 0.000 2.418 951 E HA 0.139 4.490 4.350 0.001 0.000 0.197 951 E C 2.062 178.695 176.600 0.055 0.000 1.026 951 E CA 0.644 57.051 56.400 0.012 0.000 0.862 951 E CB 0.104 29.801 29.700 -0.005 0.000 0.799 951 E HN 0.580 nan 8.360 nan 0.000 0.518 952 I N -0.764 119.870 120.570 0.107 0.000 3.708 952 I HA 0.160 4.331 4.170 0.001 0.000 0.302 952 I C 0.962 177.182 176.117 0.173 0.000 1.255 952 I CA 0.519 61.913 61.300 0.157 0.000 1.362 952 I CB 1.041 39.195 38.000 0.257 0.000 1.100 952 I HN 0.115 nan 8.210 nan 0.000 0.434 953 G N -0.155 108.732 108.800 0.145 0.000 2.293 953 G HA2 0.041 4.001 3.960 0.001 0.000 0.282 953 G HA3 0.041 4.001 3.960 0.001 0.000 0.282 953 G C -1.530 173.290 174.900 -0.135 0.000 1.299 953 G CA -0.853 44.340 45.100 0.154 0.000 1.018 953 G HN -0.102 nan 8.290 nan 0.000 0.478 954 Q N 0.476 119.943 119.800 -0.555 0.000 2.322 954 Q HA 0.546 4.886 4.340 0.001 0.000 0.265 954 Q C -2.571 173.048 176.000 -0.636 0.000 0.985 954 Q CA -1.778 53.553 55.803 -0.787 0.000 0.849 954 Q CB 1.780 29.757 28.738 -1.268 0.000 1.274 954 Q HN 0.367 nan 8.270 nan 0.000 0.449 955 P HA 0.063 nan 4.420 nan 0.000 0.275 955 P C 0.978 178.075 177.300 -0.338 0.000 1.227 955 P CA -0.266 62.610 63.100 -0.372 0.000 0.781 955 P CB 0.885 32.310 31.700 -0.459 0.000 0.906 956 V N 2.129 121.950 119.914 -0.154 0.000 2.250 956 V HA -0.313 3.808 4.120 0.001 0.000 0.253 956 V C 2.229 178.205 176.094 -0.195 0.000 1.065 956 V CA 2.248 64.482 62.300 -0.110 0.000 1.039 956 V CB -0.938 30.868 31.823 -0.028 0.000 0.647 956 V HN 0.714 nan 8.190 nan 0.000 0.446 957 N N -0.407 118.154 118.700 -0.232 0.000 2.135 957 N HA 0.075 4.816 4.740 0.001 0.000 0.186 957 N C 0.884 176.255 175.510 -0.232 0.000 1.027 957 N CA 1.470 54.386 53.050 -0.223 0.000 0.849 957 N CB 0.480 38.849 38.487 -0.195 0.000 1.002 957 N HN 0.638 nan 8.380 nan 0.000 0.425 958 G N -0.950 107.640 108.800 -0.350 0.000 2.384 958 G HA2 -0.068 3.892 3.960 0.001 0.000 0.668 958 G HA3 -0.068 3.892 3.960 0.001 0.000 0.668 958 G C -1.243 173.359 174.900 -0.498 0.000 1.280 958 G CA -0.722 44.121 45.100 -0.427 0.000 0.992 958 G HN 0.107 nan 8.290 nan 0.000 0.512 959 F N 0.777 120.611 119.950 -0.193 0.000 2.422 959 F HA 0.509 5.036 4.527 0.001 0.000 0.333 959 F C 0.791 176.562 175.800 -0.048 0.000 1.095 959 F CA -0.782 57.111 58.000 -0.179 0.000 1.038 959 F CB 1.727 40.578 39.000 -0.247 0.000 1.156 959 F HN 0.479 nan 8.300 nan 0.000 0.483 960 N N 3.107 121.955 118.700 0.247 0.000 2.452 960 N HA -0.013 4.727 4.740 0.001 0.000 0.266 960 N C 0.824 176.420 175.510 0.143 0.000 1.175 960 N CA 0.289 53.441 53.050 0.169 0.000 0.945 960 N CB 0.891 39.481 38.487 0.170 0.000 1.063 960 N HN 0.688 nan 8.380 nan 0.000 0.472 961 K N 3.053 123.498 120.400 0.075 0.000 2.026 961 K HA -0.156 4.165 4.320 0.001 0.000 0.208 961 K C 0.233 176.828 176.600 -0.008 0.000 1.048 961 K CA 1.740 58.045 56.287 0.030 0.000 0.929 961 K CB 0.116 32.627 32.500 0.019 0.000 0.713 961 K HN 0.542 nan 8.250 nan 0.000 0.439 962 D N 0.646 121.045 120.400 -0.002 0.000 2.178 962 D HA -0.141 4.500 4.640 0.001 0.000 0.202 962 D C 1.675 177.917 176.300 -0.096 0.000 0.974 962 D CA 0.551 54.535 54.000 -0.028 0.000 0.841 962 D CB 0.017 40.818 40.800 0.002 0.000 0.953 962 D HN 0.100 nan 8.370 nan 0.000 0.478 963 L N 0.506 121.678 121.223 -0.086 0.000 2.072 963 L HA -0.104 4.236 4.340 0.001 0.000 0.205 963 L C 2.114 178.711 176.870 -0.454 0.000 1.079 963 L CA 1.642 56.358 54.840 -0.207 0.000 0.752 963 L CB -0.513 41.510 42.059 -0.061 0.000 0.906 963 L HN -0.020 nan 8.230 nan 0.000 0.436 964 Q N -0.850 118.777 119.800 -0.287 0.000 2.096 964 Q HA -0.234 4.107 4.340 0.001 0.000 0.204 964 Q C 2.131 177.926 176.000 -0.342 0.000 0.982 964 Q CA 1.793 57.387 55.803 -0.349 0.000 0.850 964 Q CB -0.176 28.505 28.738 -0.095 0.000 0.901 964 Q HN 0.650 nan 8.270 nan 0.000 0.422 965 A N 0.255 122.936 122.820 -0.232 0.000 1.883 965 A HA -0.173 4.147 4.320 0.001 0.000 0.217 965 A C 2.135 179.560 177.584 -0.265 0.000 1.186 965 A CA 1.871 53.804 52.037 -0.173 0.000 0.624 965 A CB -1.011 17.944 19.000 -0.074 0.000 0.822 965 A HN 0.466 nan 8.150 nan 0.000 0.444 966 V N -2.500 117.161 119.914 -0.421 0.000 2.970 966 V HA -0.077 4.044 4.120 0.001 0.000 0.260 966 V C 1.982 177.875 176.094 -0.336 0.000 1.100 966 V CA 1.185 63.144 62.300 -0.568 0.000 1.122 966 V CB -0.779 30.689 31.823 -0.591 0.000 0.721 966 V HN 0.403 nan 8.190 nan 0.000 0.483 967 I N 0.731 121.021 120.570 -0.467 0.000 2.206 967 I HA -0.031 4.139 4.170 0.001 0.000 0.239 967 I C 2.443 178.439 176.117 -0.202 0.000 1.078 967 I CA 1.826 62.838 61.300 -0.481 0.000 1.367 967 I CB -0.916 36.567 38.000 -0.861 0.000 1.078 967 I HN 0.373 nan 8.210 nan 0.000 0.413 968 L N -0.493 120.602 121.223 -0.213 0.000 2.056 968 L HA 0.106 4.446 4.340 0.001 0.000 0.202 968 L C 1.035 177.872 176.870 -0.056 0.000 1.086 968 L CA 0.305 55.075 54.840 -0.116 0.000 0.758 968 L CB -0.923 41.058 42.059 -0.130 0.000 0.912 968 L HN 0.102 nan 8.230 nan 0.000 0.446 969 K N 1.337 121.706 120.400 -0.051 0.000 6.088 969 K HA -0.217 4.104 4.320 0.001 0.000 0.624 969 K C 0.510 177.119 176.600 0.016 0.000 1.685 969 K CA 0.742 57.041 56.287 0.020 0.000 1.516 969 K CB -1.088 31.472 32.500 0.100 0.000 1.815 969 K HN 0.945 nan 8.250 nan 0.000 0.319 970 G N 2.679 111.482 108.800 0.004 0.000 3.211 970 G HA2 -0.324 3.637 3.960 0.001 0.000 0.206 970 G HA3 -0.324 3.637 3.960 0.001 0.000 0.206 970 G C -0.172 174.716 174.900 -0.021 0.000 1.418 970 G CA 0.408 45.506 45.100 -0.003 0.000 0.958 970 G HN 0.851 nan 8.290 nan 0.000 0.567 971 Q N 1.971 121.754 119.800 -0.030 0.000 2.340 971 Q HA 0.594 4.934 4.340 0.001 0.000 0.249 971 Q C 0.059 176.022 176.000 -0.063 0.000 0.957 971 Q CA 0.125 55.902 55.803 -0.043 0.000 0.882 971 Q CB 1.036 29.748 28.738 -0.043 0.000 1.235 971 Q HN 0.752 nan 8.270 nan 0.000 0.439 972 E N 0.709 120.868 120.200 -0.069 0.000 2.299 972 E HA 0.721 5.072 4.350 0.001 0.000 0.260 972 E C -1.220 175.316 176.600 -0.107 0.000 0.944 972 E CA -1.344 55.003 56.400 -0.088 0.000 0.815 972 E CB 1.383 31.039 29.700 -0.073 0.000 1.252 972 E HN 0.653 nan 8.360 nan 0.000 0.418 973 A N 1.613 124.352 122.820 -0.135 0.000 2.310 973 A HA 0.480 4.801 4.320 0.001 0.000 0.299 973 A C -0.086 177.429 177.584 -0.115 0.000 1.147 973 A CA -0.822 51.118 52.037 -0.162 0.000 0.818 973 A CB 0.231 19.071 19.000 -0.267 0.000 1.096 973 A HN 0.545 nan 8.150 nan 0.000 0.495 974 L N 1.204 122.371 121.223 -0.093 0.000 2.397 974 L HA 0.313 4.653 4.340 0.001 0.000 0.271 974 L C 1.440 178.291 176.870 -0.032 0.000 1.148 974 L CA -0.205 54.605 54.840 -0.049 0.000 0.825 974 L CB 0.688 42.739 42.059 -0.014 0.000 1.117 974 L HN 0.834 nan 8.230 nan 0.000 0.456 975 T N 0.580 115.134 114.554 0.000 0.000 3.022 975 T HA 0.307 4.658 4.350 0.001 0.000 0.250 975 T C 0.575 175.350 174.700 0.124 0.000 1.060 975 T CA 0.304 62.419 62.100 0.026 0.000 1.013 975 T CB 0.178 69.054 68.868 0.014 0.000 0.982 975 T HN 0.682 nan 8.240 nan 0.000 0.508 976 A N 1.587 124.509 122.820 0.169 0.000 2.252 976 A HA 0.702 5.023 4.320 0.001 0.000 0.305 976 A C 0.056 177.843 177.584 0.339 0.000 1.097 976 A CA -0.879 51.332 52.037 0.289 0.000 0.849 976 A CB 0.401 19.592 19.000 0.319 0.000 1.142 976 A HN 0.667 nan 8.150 nan 0.000 0.499 977 R N 0.453 121.168 120.500 0.359 0.000 2.623 977 R HA 0.228 4.568 4.340 0.001 0.000 0.271 977 R C -2.296 174.111 176.300 0.177 0.000 1.043 977 R CA -0.859 55.413 56.100 0.287 0.000 1.083 977 R CB -0.376 29.963 30.300 0.064 0.000 0.974 977 R HN 0.348 nan 8.270 nan 0.000 0.436 978 P HA -0.135 nan 4.420 nan 0.000 0.216 978 P C 1.232 178.561 177.300 0.048 0.000 1.150 978 P CA 1.637 64.784 63.100 0.079 0.000 0.837 978 P CB 0.015 31.739 31.700 0.040 0.000 0.786 979 G N -0.422 108.394 108.800 0.026 0.000 2.534 979 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 979 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 979 G C 1.525 176.414 174.900 -0.018 0.000 1.128 979 G CA 0.246 45.347 45.100 0.003 0.000 0.784 979 G HN 0.290 nan 8.290 nan 0.000 0.542 980 E N -0.457 119.722 120.200 -0.034 0.000 2.085 980 E HA -0.152 4.199 4.350 0.001 0.000 0.194 980 E C 0.876 177.278 176.600 -0.330 0.000 0.994 980 E CA 0.897 57.180 56.400 -0.194 0.000 0.801 980 E CB -0.139 29.430 29.700 -0.218 0.000 0.743 980 E HN 0.602 nan 8.360 nan 0.000 0.453 981 Y N -0.191 120.107 120.300 -0.004 0.000 2.658 981 Y HA 0.284 4.835 4.550 0.001 0.000 0.276 981 Y C -0.279 175.610 175.900 -0.020 0.000 1.167 981 Y CA -0.521 57.573 58.100 -0.011 0.000 1.230 981 Y CB 0.568 39.023 38.460 -0.008 0.000 1.144 981 Y HN -0.075 nan 8.280 nan 0.000 0.529 982 L N 1.621 122.880 121.223 0.059 0.000 2.326 982 L HA 0.221 4.562 4.340 0.001 0.000 0.278 982 L C 0.348 177.215 176.870 -0.004 0.000 1.092 982 L CA -0.772 54.080 54.840 0.020 0.000 0.810 982 L CB 0.840 42.894 42.059 -0.009 0.000 1.153 982 L HN 0.299 nan 8.230 nan 0.000 0.439 983 E N 3.225 123.419 120.200 -0.009 0.000 2.376 983 E HA 0.181 4.531 4.350 0.001 0.000 0.266 983 E C -2.430 174.136 176.600 -0.057 0.000 1.009 983 E CA -1.734 54.650 56.400 -0.027 0.000 0.902 983 E CB -0.139 29.548 29.700 -0.023 0.000 0.972 983 E HN 0.260 nan 8.360 nan 0.000 0.439 984 P HA -0.060 nan 4.420 nan 0.000 0.263 984 P C -0.656 176.529 177.300 -0.192 0.000 1.195 984 P CA -0.191 62.841 63.100 -0.114 0.000 0.762 984 P CB 0.536 32.176 31.700 -0.100 0.000 0.799 985 V N 4.282 124.018 119.914 -0.296 0.000 2.540 985 V HA -0.058 4.062 4.120 0.001 0.000 0.297 985 V C 1.003 176.695 176.094 -0.670 0.000 1.024 985 V CA 0.484 62.517 62.300 -0.444 0.000 1.105 985 V CB 0.036 31.570 31.823 -0.480 0.000 0.938 985 V HN 0.579 nan 8.190 nan 0.000 0.482 986 D N 4.707 124.880 120.400 -0.378 0.000 2.374 986 D HA 0.122 4.763 4.640 0.001 0.000 0.240 986 D C 0.730 176.907 176.300 -0.204 0.000 1.229 986 D CA -0.040 53.805 54.000 -0.258 0.000 0.895 986 D CB 0.447 41.182 40.800 -0.107 0.000 1.046 986 D HN 0.501 nan 8.370 nan 0.000 0.498 987 F N 1.599 121.565 119.950 0.027 0.000 2.502 987 F HA -0.059 4.469 4.527 0.001 0.000 0.298 987 F C 2.270 178.082 175.800 0.019 0.000 1.111 987 F CA 0.115 58.132 58.000 0.029 0.000 1.445 987 F CB 0.371 39.387 39.000 0.026 0.000 1.081 987 F HN 0.305 nan 8.300 nan 0.000 0.558 988 E N 0.923 121.213 120.200 0.150 0.000 2.046 988 E HA -0.136 4.215 4.350 0.001 0.000 0.190 988 E C 1.925 178.561 176.600 0.060 0.000 0.982 988 E CA 0.882 57.336 56.400 0.090 0.000 0.800 988 E CB -0.352 29.383 29.700 0.058 0.000 0.756 988 E HN 0.437 nan 8.360 nan 0.000 0.449 989 K N 0.756 121.182 120.400 0.043 0.000 2.209 989 K HA -0.058 4.262 4.320 0.001 0.000 0.204 989 K C 2.193 178.819 176.600 0.043 0.000 1.048 989 K CA 0.813 57.118 56.287 0.031 0.000 0.940 989 K CB 0.032 32.543 32.500 0.017 0.000 0.729 989 K HN -0.060 nan 8.250 nan 0.000 0.451 990 V N 1.019 120.977 119.914 0.074 0.000 2.453 990 V HA -0.179 3.941 4.120 0.001 0.000 0.247 990 V C 2.276 178.386 176.094 0.026 0.000 1.048 990 V CA 1.539 63.888 62.300 0.082 0.000 1.049 990 V CB -0.411 31.528 31.823 0.193 0.000 0.672 990 V HN 0.243 nan 8.190 nan 0.000 0.457 991 R N 1.207 121.740 120.500 0.054 0.000 2.091 991 R HA -0.206 4.134 4.340 0.001 0.000 0.238 991 R C 2.070 178.373 176.300 0.004 0.000 1.136 991 R CA 2.128 58.245 56.100 0.028 0.000 0.959 991 R CB -0.512 29.814 30.300 0.044 0.000 0.856 991 R HN 0.633 nan 8.270 nan 0.000 0.437 992 E N -0.049 120.156 120.200 0.008 0.000 2.051 992 E HA -0.206 4.144 4.350 0.001 0.000 0.192 992 E C 1.945 178.536 176.600 -0.016 0.000 0.991 992 E CA 1.407 57.807 56.400 -0.000 0.000 0.799 992 E CB -0.310 29.394 29.700 0.006 0.000 0.748 992 E HN 0.250 nan 8.360 nan 0.000 0.449 993 L N 1.051 122.255 121.223 -0.031 0.000 2.046 993 L HA -0.159 4.182 4.340 0.001 0.000 0.208 993 L C 2.042 178.857 176.870 -0.091 0.000 1.077 993 L CA 1.562 56.367 54.840 -0.059 0.000 0.747 993 L CB -0.230 41.784 42.059 -0.075 0.000 0.896 993 L HN 0.112 nan 8.230 nan 0.000 0.432 994 L N -0.940 120.212 121.223 -0.118 0.000 2.109 994 L HA -0.148 4.192 4.340 0.001 0.000 0.207 994 L C 2.348 179.205 176.870 -0.023 0.000 1.086 994 L CA 1.207 55.993 54.840 -0.090 0.000 0.760 994 L CB -0.579 41.422 42.059 -0.095 0.000 0.910 994 L HN 0.327 nan 8.230 nan 0.000 0.437 995 E N -0.399 119.792 120.200 -0.016 0.000 2.418 995 E HA -0.151 4.200 4.350 0.001 0.000 0.197 995 E C 1.818 178.415 176.600 -0.004 0.000 1.026 995 E CA 0.343 56.742 56.400 -0.002 0.000 0.862 995 E CB 0.230 29.931 29.700 0.001 0.000 0.799 995 E HN 0.380 nan 8.360 nan 0.000 0.518 996 E N 0.471 120.664 120.200 -0.012 0.000 2.166 996 E HA -0.049 4.302 4.350 0.001 0.000 0.192 996 E C 1.606 178.200 176.600 -0.009 0.000 0.967 996 E CA 0.425 56.820 56.400 -0.009 0.000 0.840 996 E CB 0.299 29.993 29.700 -0.010 0.000 0.795 996 E HN 0.305 nan 8.360 nan 0.000 0.470 997 E N 0.654 120.846 120.200 -0.014 0.000 2.046 997 E HA -0.124 4.226 4.350 0.001 0.000 0.190 997 E C 1.985 178.582 176.600 -0.005 0.000 0.982 997 E CA 0.852 57.246 56.400 -0.009 0.000 0.800 997 E CB 0.101 29.794 29.700 -0.012 0.000 0.756 997 E HN 0.210 nan 8.360 nan 0.000 0.449 998 Q N -0.031 119.770 119.800 0.002 0.000 2.376 998 Q HA 0.045 4.386 4.340 0.001 0.000 0.206 998 Q C -0.325 175.675 176.000 0.001 0.000 0.921 998 Q CA 0.013 55.819 55.803 0.004 0.000 0.911 998 Q CB 0.537 29.290 28.738 0.024 0.000 1.032 998 Q HN 0.149 nan 8.270 nan 0.000 0.510 999 Q N -0.264 119.537 119.800 0.001 0.000 2.438 999 Q HA -0.232 4.108 4.340 0.001 0.000 0.356 999 Q C -0.002 176.000 176.000 0.004 0.000 1.438 999 Q CA 0.271 56.075 55.803 0.001 0.000 0.973 999 Q CB -1.495 27.242 28.738 -0.003 0.000 1.151 999 Q HN 0.620 nan 8.270 nan 0.000 0.328 1000 G N 0.851 109.656 108.800 0.008 0.000 2.061 1000 G HA2 -0.008 3.952 3.960 0.001 0.000 0.059 1000 G HA3 -0.008 3.952 3.960 0.001 0.000 0.059 1000 G C -2.832 172.077 174.900 0.015 0.000 1.013 1000 G CA -0.326 44.781 45.100 0.010 0.000 1.185 1000 G HN 0.299 nan 8.290 nan 0.000 0.410 1001 P HA 0.639 nan 4.420 nan 0.000 0.282 1001 P C -0.977 176.346 177.300 0.037 0.000 1.262 1001 P CA -0.078 63.036 63.100 0.024 0.000 0.773 1001 P CB 1.785 33.499 31.700 0.024 0.000 0.879 1002 V N 3.341 123.274 119.914 0.032 0.000 2.686 1002 V HA 0.377 4.497 4.120 0.001 0.000 0.306 1002 V C 0.537 176.642 176.094 0.019 0.000 1.065 1002 V CA -0.427 61.898 62.300 0.042 0.000 0.894 1002 V CB 2.284 34.127 31.823 0.034 0.000 1.004 1002 V HN 0.757 nan 8.190 nan 0.000 0.424 1003 T N 0.505 115.068 114.554 0.016 0.000 2.912 1003 T HA 0.425 4.775 4.350 0.001 0.000 0.280 1003 T C 0.793 175.455 174.700 -0.064 0.000 0.989 1003 T CA -0.619 61.462 62.100 -0.031 0.000 0.995 1003 T CB 1.594 70.431 68.868 -0.052 0.000 1.077 1003 T HN 0.557 nan 8.240 nan 0.000 0.531 1004 E N 0.253 120.388 120.200 -0.108 0.000 2.268 1004 E HA -0.138 4.212 4.350 0.001 0.000 0.195 1004 E C 2.041 178.527 176.600 -0.190 0.000 0.995 1004 E CA 1.033 57.348 56.400 -0.142 0.000 0.836 1004 E CB -0.116 29.492 29.700 -0.154 0.000 0.763 1004 E HN 0.717 nan 8.360 nan 0.000 0.491 1005 Q N 0.470 120.091 119.800 -0.298 0.000 2.119 1005 Q HA -0.127 4.214 4.340 0.001 0.000 0.201 1005 Q C 1.664 177.605 176.000 -0.097 0.000 0.972 1005 Q CA 0.993 56.489 55.803 -0.513 0.000 0.847 1005 Q CB 0.101 28.235 28.738 -1.007 0.000 0.903 1005 Q HN 0.238 nan 8.270 nan 0.000 0.433 1006 D N 0.474 120.869 120.400 -0.008 0.000 2.178 1006 D HA -0.121 4.519 4.640 0.001 0.000 0.201 1006 D C 1.819 178.050 176.300 -0.115 0.000 0.980 1006 D CA 0.962 55.003 54.000 0.068 0.000 0.842 1006 D CB 0.029 40.907 40.800 0.131 0.000 0.948 1006 D HN 0.291 nan 8.370 nan 0.000 0.472 1007 I N 1.143 121.690 120.570 -0.038 0.000 2.162 1007 I HA -0.216 3.954 4.170 0.001 0.000 0.238 1007 I C 2.509 178.688 176.117 0.103 0.000 1.076 1007 I CA 0.804 62.114 61.300 0.017 0.000 1.353 1007 I CB -0.329 37.681 38.000 0.016 0.000 1.063 1007 I HN -0.048 nan 8.210 nan 0.000 0.408 1008 I N -0.700 119.931 120.570 0.102 0.000 2.286 1008 I HA -0.198 3.973 4.170 0.001 0.000 0.248 1008 I C 2.566 178.850 176.117 0.279 0.000 1.115 1008 I CA 1.187 62.599 61.300 0.187 0.000 1.392 1008 I CB -0.830 37.325 38.000 0.259 0.000 1.065 1008 I HN 0.037 nan 8.210 nan 0.000 0.418 1009 S N 0.489 116.449 115.700 0.434 0.000 2.370 1009 S HA -0.235 4.235 4.470 0.001 0.000 0.226 1009 S C 2.008 176.740 174.600 0.220 0.000 1.033 1009 S CA 1.766 60.309 58.200 0.571 0.000 1.011 1009 S CB -0.608 63.007 63.200 0.691 0.000 0.852 1009 S HN 0.591 nan 8.310 nan 0.000 0.457 1010 Y N 2.408 122.547 120.300 -0.268 0.000 2.145 1010 Y HA -0.148 4.402 4.550 0.001 0.000 0.286 1010 Y C 2.244 178.162 175.900 0.030 0.000 1.145 1010 Y CA 1.128 59.077 58.100 -0.251 0.000 1.148 1010 Y CB -0.700 37.502 38.460 -0.429 0.000 0.981 1010 Y HN 0.024 nan 8.280 nan 0.000 0.507 1011 V N 0.470 120.387 119.914 0.005 0.000 2.287 1011 V HA -0.335 3.785 4.120 0.001 0.000 0.248 1011 V C 2.469 178.512 176.094 -0.086 0.000 1.053 1011 V CA 2.166 64.442 62.300 -0.040 0.000 1.027 1011 V CB -0.876 31.023 31.823 0.127 0.000 0.646 1011 V HN 0.428 nan 8.190 nan 0.000 0.447 1012 L N -1.976 119.173 121.223 -0.123 0.000 2.093 1012 L HA -0.080 4.260 4.340 0.001 0.000 0.208 1012 L C 0.507 177.272 176.870 -0.176 0.000 1.085 1012 L CA 1.478 56.135 54.840 -0.305 0.000 0.755 1012 L CB -0.078 41.803 42.059 -0.296 0.000 0.904 1012 L HN 0.353 nan 8.230 nan 0.000 0.435 1013 Y N -2.151 118.266 120.300 0.195 0.000 2.563 1013 Y HA 0.229 4.780 4.550 0.001 0.000 0.351 1013 Y C -1.892 174.049 175.900 0.069 0.000 1.087 1013 Y CA -1.784 56.451 58.100 0.226 0.000 1.272 1013 Y CB 0.661 39.247 38.460 0.210 0.000 1.095 1013 Y HN -0.115 nan 8.280 nan 0.000 0.620 1014 P HA -0.200 nan 4.420 nan 0.000 0.212 1014 P C 1.043 178.414 177.300 0.117 0.000 1.178 1014 P CA 2.041 65.008 63.100 -0.222 0.000 0.915 1014 P CB 0.420 31.967 31.700 -0.256 0.000 0.788 1015 K N -0.649 119.830 120.400 0.131 0.000 2.057 1015 K HA -0.079 4.242 4.320 0.001 0.000 0.207 1015 K C 2.017 178.692 176.600 0.125 0.000 1.049 1015 K CA 1.290 57.653 56.287 0.127 0.000 0.931 1015 K CB -1.050 31.497 32.500 0.077 0.000 0.714 1015 K HN 0.003 nan 8.250 nan 0.000 0.440 1016 V N 0.626 120.617 119.914 0.128 0.000 2.323 1016 V HA -0.242 3.878 4.120 0.001 0.000 0.244 1016 V C 2.079 178.209 176.094 0.060 0.000 1.041 1016 V CA 1.506 63.841 62.300 0.057 0.000 1.025 1016 V CB -0.547 31.268 31.823 -0.013 0.000 0.656 1016 V HN 0.253 nan 8.190 nan 0.000 0.451 1017 Y N 1.381 121.667 120.300 -0.025 0.000 2.097 1017 Y HA -0.258 4.292 4.550 0.001 0.000 0.282 1017 Y C 2.675 178.649 175.900 0.124 0.000 1.152 1017 Y CA 2.156 60.217 58.100 -0.065 0.000 1.136 1017 Y CB -0.172 38.324 38.460 0.061 0.000 0.975 1017 Y HN 0.254 nan 8.280 nan 0.000 0.498 1018 E N 0.310 120.679 120.200 0.282 0.000 2.070 1018 E HA -0.296 4.054 4.350 0.001 0.000 0.197 1018 E C 2.132 178.744 176.600 0.020 0.000 1.004 1018 E CA 1.919 58.417 56.400 0.164 0.000 0.805 1018 E CB -0.479 29.373 29.700 0.253 0.000 0.744 1018 E HN 0.699 nan 8.360 nan 0.000 0.451 1019 Q N -0.463 119.366 119.800 0.049 0.000 2.170 1019 Q HA -0.180 4.160 4.340 0.001 0.000 0.203 1019 Q C 2.035 178.051 176.000 0.026 0.000 0.976 1019 Q CA 1.261 57.081 55.803 0.028 0.000 0.858 1019 Q CB -0.267 28.492 28.738 0.034 0.000 0.907 1019 Q HN 0.340 nan 8.270 nan 0.000 0.433 1020 Y N 0.918 121.158 120.300 -0.101 0.000 2.242 1020 Y HA -0.222 4.329 4.550 0.001 0.000 0.291 1020 Y C 1.734 177.566 175.900 -0.114 0.000 1.137 1020 Y CA 1.037 59.090 58.100 -0.079 0.000 1.181 1020 Y CB -0.015 38.399 38.460 -0.076 0.000 0.989 1020 Y HN 0.021 nan 8.280 nan 0.000 0.527 1021 I N 0.831 121.164 120.570 -0.394 0.000 2.179 1021 I HA -0.309 3.862 4.170 0.001 0.000 0.242 1021 I C 2.292 178.244 176.117 -0.274 0.000 1.088 1021 I CA 1.478 62.527 61.300 -0.418 0.000 1.357 1021 I CB -1.588 36.228 38.000 -0.307 0.000 1.051 1021 I HN 0.393 nan 8.210 nan 0.000 0.409 1022 Q N 0.215 119.914 119.800 -0.168 0.000 2.112 1022 Q HA -0.200 4.141 4.340 0.001 0.000 0.206 1022 Q C 2.161 178.074 176.000 -0.146 0.000 0.987 1022 Q CA 2.439 58.168 55.803 -0.123 0.000 0.858 1022 Q CB -0.382 28.316 28.738 -0.066 0.000 0.905 1022 Q HN 0.530 nan 8.270 nan 0.000 0.420 1023 T N 0.434 114.915 114.554 -0.122 0.000 2.777 1023 T HA -0.141 4.210 4.350 0.001 0.000 0.266 1023 T C 1.710 176.342 174.700 -0.114 0.000 1.040 1023 T CA 1.137 63.205 62.100 -0.052 0.000 1.141 1023 T CB -0.174 68.751 68.868 0.095 0.000 0.868 1023 T HN 0.247 nan 8.240 nan 0.000 0.444 1024 R N 1.225 121.568 120.500 -0.262 0.000 2.081 1024 R HA -0.030 4.311 4.340 0.001 0.000 0.235 1024 R C 2.227 178.420 176.300 -0.179 0.000 1.131 1024 R CA 1.525 57.467 56.100 -0.263 0.000 0.960 1024 R CB -0.327 29.675 30.300 -0.496 0.000 0.856 1024 R HN 0.506 nan 8.270 nan 0.000 0.436 1025 N N -0.205 118.380 118.700 -0.192 0.000 2.192 1025 N HA -0.249 4.492 4.740 0.001 0.000 0.188 1025 N C 1.829 177.239 175.510 -0.167 0.000 1.013 1025 N CA 1.286 54.245 53.050 -0.151 0.000 0.863 1025 N CB 0.002 38.406 38.487 -0.138 0.000 0.990 1025 N HN 0.385 nan 8.380 nan 0.000 0.430 1026 Q N -0.372 119.275 119.800 -0.254 0.000 2.107 1026 Q HA -0.025 4.316 4.340 0.001 0.000 0.195 1026 Q C 0.805 176.590 176.000 -0.359 0.000 0.964 1026 Q CA 0.912 56.462 55.803 -0.422 0.000 0.833 1026 Q CB 0.252 28.530 28.738 -0.768 0.000 0.910 1026 Q HN 0.486 nan 8.270 nan 0.000 0.465 1027 Y N -0.958 119.345 120.300 0.006 0.000 2.442 1027 Y HA 0.331 4.882 4.550 0.001 0.000 0.250 1027 Y C 1.060 176.945 175.900 -0.025 0.000 1.113 1027 Y CA -0.200 57.914 58.100 0.023 0.000 1.273 1027 Y CB 1.319 39.819 38.460 0.067 0.000 1.138 1027 Y HN 0.352 nan 8.280 nan 0.000 0.522 1028 G N 1.623 110.462 108.800 0.065 0.000 2.542 1028 G HA2 -0.334 3.627 3.960 0.001 0.000 0.235 1028 G HA3 -0.334 3.627 3.960 0.001 0.000 0.235 1028 G C -0.541 174.371 174.900 0.021 0.000 1.286 1028 G CA -0.264 44.847 45.100 0.019 0.000 0.904 1028 G HN 0.418 nan 8.290 nan 0.000 0.577 1029 N N 0.680 119.390 118.700 0.016 0.000 2.402 1029 N HA 0.329 5.069 4.740 0.001 0.000 0.259 1029 N C 1.606 177.114 175.510 -0.004 0.000 1.167 1029 N CA -0.376 52.688 53.050 0.024 0.000 0.949 1029 N CB -0.037 38.464 38.487 0.023 0.000 1.212 1029 N HN 0.474 nan 8.380 nan 0.000 0.493 1030 L N 2.244 123.467 121.223 -0.000 0.000 2.492 1030 L HA -0.016 4.324 4.340 0.001 0.000 0.223 1030 L C 2.072 178.867 176.870 -0.125 0.000 1.132 1030 L CA 0.208 55.014 54.840 -0.057 0.000 0.850 1030 L CB -0.002 42.066 42.059 0.015 0.000 0.966 1030 L HN 0.538 nan 8.230 nan 0.000 0.454 1031 S N 0.372 116.010 115.700 -0.103 0.000 2.419 1031 S HA -0.101 4.369 4.470 0.001 0.000 0.233 1031 S C 1.898 176.412 174.600 -0.143 0.000 1.016 1031 S CA 1.122 59.229 58.200 -0.155 0.000 0.974 1031 S CB -0.159 62.992 63.200 -0.083 0.000 0.786 1031 S HN 0.377 nan 8.310 nan 0.000 0.492 1032 L N 0.921 122.090 121.223 -0.091 0.000 2.240 1032 L HA 0.106 4.446 4.340 0.001 0.000 0.211 1032 L C 0.584 177.410 176.870 -0.073 0.000 1.106 1032 L CA 0.267 55.066 54.840 -0.068 0.000 0.793 1032 L CB -0.569 41.466 42.059 -0.040 0.000 0.927 1032 L HN 0.205 nan 8.230 nan 0.000 0.446 1033 L N 1.530 122.705 121.223 -0.079 0.000 2.483 1033 L HA 0.007 4.347 4.340 0.001 0.000 0.276 1033 L C 0.336 177.146 176.870 -0.099 0.000 1.213 1033 L CA -0.238 54.572 54.840 -0.051 0.000 0.843 1033 L CB 0.034 42.108 42.059 0.024 0.000 1.107 1033 L HN 0.262 nan 8.230 nan 0.000 0.487 1034 D N 0.876 121.225 120.400 -0.086 0.000 2.372 1034 D HA 0.010 4.651 4.640 0.001 0.000 0.243 1034 D C 0.673 176.846 176.300 -0.212 0.000 1.121 1034 D CA -0.435 53.474 54.000 -0.151 0.000 0.898 1034 D CB 1.299 42.011 40.800 -0.146 0.000 1.202 1034 D HN 0.509 nan 8.370 nan 0.000 0.428 1035 T N 2.070 116.415 114.554 -0.349 0.000 2.635 1035 T HA -0.099 4.251 4.350 0.001 0.000 0.267 1035 T C -0.918 173.545 174.700 -0.395 0.000 1.040 1035 T CA 1.603 63.416 62.100 -0.478 0.000 1.156 1035 T CB -1.013 67.561 68.868 -0.490 0.000 0.863 1035 T HN 0.488 nan 8.240 nan 0.000 0.430 1036 P HA -0.035 nan 4.420 nan 0.000 0.218 1036 P C 1.497 178.871 177.300 0.124 0.000 1.148 1036 P CA 1.196 64.226 63.100 -0.117 0.000 0.822 1036 P CB -0.270 31.259 31.700 -0.286 0.000 0.784 1037 T N -1.419 113.148 114.554 0.022 0.000 2.904 1037 T HA -0.079 4.271 4.350 0.001 0.000 0.267 1037 T C 1.400 176.189 174.700 0.148 0.000 1.059 1037 T CA 0.672 62.833 62.100 0.100 0.000 1.137 1037 T CB -0.875 68.036 68.868 0.070 0.000 0.879 1037 T HN 0.030 nan 8.240 nan 0.000 0.467 1038 F N 0.986 120.874 119.950 -0.104 0.000 2.113 1038 F HA 0.070 4.597 4.527 0.001 0.000 0.297 1038 F C 1.596 177.288 175.800 -0.182 0.000 1.103 1038 F CA 1.142 59.070 58.000 -0.120 0.000 1.248 1038 F CB -0.368 38.367 39.000 -0.442 0.000 0.999 1038 F HN 0.160 nan 8.300 nan 0.000 0.475 1039 F N -2.086 117.713 119.950 -0.252 0.000 2.416 1039 F HA -0.019 4.509 4.527 0.001 0.000 0.296 1039 F C 1.417 176.797 175.800 -0.699 0.000 1.099 1039 F CA 0.327 57.848 58.000 -0.798 0.000 1.427 1039 F CB -0.090 38.460 39.000 -0.750 0.000 1.079 1039 F HN -0.075 nan 8.300 nan 0.000 0.536 1040 F N -1.041 118.947 119.950 0.062 0.000 2.789 1040 F HA 0.393 4.921 4.527 0.001 0.000 0.320 1040 F C 1.528 177.340 175.800 0.020 0.000 1.079 1040 F CA 0.483 58.517 58.000 0.057 0.000 1.205 1040 F CB 0.212 39.262 39.000 0.084 0.000 1.046 1040 F HN 0.003 nan 8.300 nan 0.000 0.586 1041 G N 1.607 110.500 108.800 0.156 0.000 2.552 1041 G HA2 -0.293 3.668 3.960 0.001 0.000 0.267 1041 G HA3 -0.293 3.668 3.960 0.001 0.000 0.267 1041 G C -0.287 174.693 174.900 0.133 0.000 1.174 1041 G CA 0.061 45.220 45.100 0.098 0.000 0.955 1041 G HN 0.144 nan 8.290 nan 0.000 0.546 1042 M N 0.690 120.360 119.600 0.117 0.000 2.470 1042 M HA 0.565 5.045 4.480 0.001 0.000 0.285 1042 M C 0.071 176.416 176.300 0.075 0.000 1.213 1042 M CA -0.787 54.577 55.300 0.106 0.000 0.901 1042 M CB 2.117 34.801 32.600 0.140 0.000 1.718 1042 M HN 0.977 nan 8.290 nan 0.000 0.469 1043 R N 1.847 122.379 120.500 0.054 0.000 2.607 1043 R HA 0.512 4.853 4.340 0.001 0.000 0.261 1043 R C -0.743 175.572 176.300 0.025 0.000 1.051 1043 R CA -0.805 55.312 56.100 0.029 0.000 1.110 1043 R CB 0.508 30.813 30.300 0.008 0.000 1.158 1043 R HN 0.667 nan 8.270 nan 0.000 0.543 1044 N N -0.127 118.579 118.700 0.009 0.000 2.454 1044 N HA 0.062 4.802 4.740 0.001 0.000 0.260 1044 N C 0.329 175.844 175.510 0.008 0.000 1.218 1044 N CA 1.077 54.128 53.050 0.003 0.000 0.904 1044 N CB 0.711 39.193 38.487 -0.009 0.000 1.065 1044 N HN 0.908 nan 8.380 nan 0.000 0.462 1045 G N 1.312 110.121 108.800 0.015 0.000 2.160 1045 G HA2 -0.299 3.662 3.960 0.001 0.000 0.251 1045 G HA3 -0.299 3.662 3.960 0.001 0.000 0.251 1045 G C -0.007 174.909 174.900 0.028 0.000 1.008 1045 G CA 0.165 45.276 45.100 0.019 0.000 0.724 1045 G HN 0.701 nan 8.290 nan 0.000 0.514 1046 E N 0.197 120.421 120.200 0.040 0.000 2.266 1046 E HA 0.576 4.926 4.350 0.001 0.000 0.277 1046 E C -0.400 176.235 176.600 0.060 0.000 1.018 1046 E CA -0.335 56.092 56.400 0.045 0.000 0.840 1046 E CB 0.800 30.528 29.700 0.047 0.000 1.082 1046 E HN 0.081 nan 8.360 nan 0.000 0.395 1047 T N 2.920 117.502 114.554 0.048 0.000 2.792 1047 T HA 0.404 4.755 4.350 0.001 0.000 0.280 1047 T C -0.962 173.761 174.700 0.039 0.000 0.990 1047 T CA -0.528 61.600 62.100 0.048 0.000 0.960 1047 T CB 1.240 70.130 68.868 0.037 0.000 0.939 1047 T HN 0.209 nan 8.240 nan 0.000 0.439 1048 V N 3.707 123.645 119.914 0.039 0.000 2.604 1048 V HA 0.414 4.534 4.120 0.001 0.000 0.305 1048 V C -0.148 175.954 176.094 0.014 0.000 1.043 1048 V CA -0.948 61.368 62.300 0.027 0.000 0.888 1048 V CB 2.045 33.889 31.823 0.035 0.000 0.995 1048 V HN 0.841 nan 8.190 nan 0.000 0.429 1049 E N 4.485 124.689 120.200 0.006 0.000 2.231 1049 E HA 0.632 4.982 4.350 0.001 0.000 0.277 1049 E C -1.187 175.408 176.600 -0.008 0.000 0.999 1049 E CA -0.521 55.879 56.400 -0.001 0.000 0.827 1049 E CB 2.319 32.019 29.700 0.000 0.000 1.101 1049 E HN 0.508 nan 8.360 nan 0.000 0.393 1050 I N 1.979 122.542 120.570 -0.011 0.000 2.476 1050 I HA 0.131 4.301 4.170 0.001 0.000 0.281 1050 I C -0.120 175.987 176.117 -0.016 0.000 1.040 1050 I CA -0.459 60.832 61.300 -0.016 0.000 1.094 1050 I CB 1.578 39.567 38.000 -0.018 0.000 1.219 1050 I HN 0.429 nan 8.210 nan 0.000 0.450 1051 E N 5.843 126.034 120.200 -0.017 0.000 2.159 1051 E HA 0.096 4.446 4.350 0.001 0.000 0.272 1051 E C 0.709 177.299 176.600 -0.015 0.000 1.138 1051 E CA -0.149 56.243 56.400 -0.014 0.000 0.915 1051 E CB 0.725 30.417 29.700 -0.013 0.000 1.028 1051 E HN 0.545 nan 8.360 nan 0.000 0.423 1052 I N 2.828 123.390 120.570 -0.013 0.000 2.480 1052 I HA 0.005 4.175 4.170 0.001 0.000 0.251 1052 I C 0.887 176.998 176.117 -0.009 0.000 1.124 1052 I CA 1.034 62.326 61.300 -0.012 0.000 1.444 1052 I CB -0.521 37.471 38.000 -0.012 0.000 1.098 1052 I HN 0.524 nan 8.210 nan 0.000 0.428 1053 D N -1.012 119.383 120.400 -0.009 0.000 2.851 1053 D HA 0.168 4.809 4.640 0.001 0.000 0.339 1053 D C -0.681 175.614 176.300 -0.008 0.000 1.347 1053 D CA -0.610 53.385 54.000 -0.007 0.000 0.888 1053 D CB 1.363 42.159 40.800 -0.007 0.000 1.431 1053 D HN -0.254 nan 8.370 nan 0.000 0.509 1054 K N 0.345 120.741 120.400 -0.007 0.000 2.336 1054 K HA 0.417 4.737 4.320 0.001 0.000 0.290 1054 K C 0.640 177.235 176.600 -0.008 0.000 1.067 1054 K CA 0.992 57.274 56.287 -0.008 0.000 0.962 1054 K CB -0.334 32.162 32.500 -0.008 0.000 1.008 1054 K HN 0.592 nan 8.250 nan 0.000 0.467 1055 G N 3.400 112.195 108.800 -0.008 0.000 2.179 1055 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 1055 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 1055 G C -0.196 174.699 174.900 -0.008 0.000 0.977 1055 G CA 0.091 45.187 45.100 -0.008 0.000 0.641 1055 G HN 0.568 nan 8.290 nan 0.000 0.533 1056 K N 0.461 120.855 120.400 -0.009 0.000 2.274 1056 K HA 0.646 4.966 4.320 0.001 0.000 0.262 1056 K C 0.259 176.853 176.600 -0.010 0.000 0.961 1056 K CA -0.750 55.531 56.287 -0.010 0.000 0.833 1056 K CB 1.058 33.552 32.500 -0.010 0.000 1.102 1056 K HN 0.589 nan 8.250 nan 0.000 0.436 1057 R N 2.311 122.805 120.500 -0.011 0.000 2.643 1057 R HA 0.411 4.752 4.340 0.001 0.000 0.269 1057 R C -1.341 174.951 176.300 -0.014 0.000 1.037 1057 R CA -0.961 55.132 56.100 -0.012 0.000 0.894 1057 R CB 0.772 31.067 30.300 -0.009 0.000 1.238 1057 R HN 0.318 nan 8.270 nan 0.000 0.459 1058 L N 2.915 124.128 121.223 -0.017 0.000 2.292 1058 L HA 0.440 4.781 4.340 0.001 0.000 0.284 1058 L C -0.356 176.504 176.870 -0.017 0.000 1.065 1058 L CA -0.997 53.830 54.840 -0.022 0.000 0.806 1058 L CB 1.216 43.256 42.059 -0.032 0.000 1.175 1058 L HN 0.513 nan 8.230 nan 0.000 0.431 1059 I N 5.471 126.032 120.570 -0.015 0.000 2.355 1059 I HA 0.415 4.585 4.170 0.001 0.000 0.288 1059 I C -0.046 176.068 176.117 -0.005 0.000 0.999 1059 I CA -0.265 61.033 61.300 -0.004 0.000 1.163 1059 I CB 1.388 39.390 38.000 0.004 0.000 1.316 1059 I HN 0.454 nan 8.210 nan 0.000 0.454 1060 I N 5.938 126.510 120.570 0.002 0.000 2.433 1060 I HA 0.391 4.561 4.170 0.001 0.000 0.292 1060 I C -0.024 176.140 176.117 0.079 0.000 1.001 1060 I CA -0.649 60.657 61.300 0.010 0.000 1.119 1060 I CB 2.291 40.262 38.000 -0.048 0.000 1.289 1060 I HN 0.444 nan 8.210 nan 0.000 0.438 1061 K N 6.911 127.392 120.400 0.135 0.000 2.376 1061 K HA 0.523 4.844 4.320 0.001 0.000 0.257 1061 K C -1.523 175.230 176.600 0.255 0.000 0.939 1061 K CA -0.682 55.697 56.287 0.154 0.000 0.809 1061 K CB 1.890 34.452 32.500 0.103 0.000 1.121 1061 K HN 0.568 nan 8.250 nan 0.000 0.425 1062 L N 5.493 126.839 121.223 0.205 0.000 2.255 1062 L HA 0.214 4.554 4.340 0.001 0.000 0.289 1062 L C 0.795 177.685 176.870 0.033 0.000 1.046 1062 L CA 0.091 54.997 54.840 0.110 0.000 0.816 1062 L CB 0.676 42.790 42.059 0.091 0.000 1.197 1062 L HN 0.829 nan 8.230 nan 0.000 0.427 1063 E N 2.295 122.504 120.200 0.015 0.000 2.011 1063 E HA 0.044 4.394 4.350 0.001 0.000 0.191 1063 E C -0.005 176.582 176.600 -0.022 0.000 0.979 1063 E CA 1.103 57.510 56.400 0.012 0.000 0.822 1063 E CB 0.081 29.803 29.700 0.036 0.000 0.782 1063 E HN 0.727 nan 8.360 nan 0.000 0.459 1064 T N -1.027 113.512 114.554 -0.026 0.000 2.841 1064 T HA 0.656 5.006 4.350 0.001 0.000 0.296 1064 T C -0.490 174.229 174.700 0.031 0.000 1.166 1064 T CA -0.844 61.236 62.100 -0.033 0.000 1.007 1064 T CB 1.425 70.236 68.868 -0.095 0.000 1.253 1064 T HN 0.004 nan 8.240 nan 0.000 0.511 1065 I N 2.081 122.665 120.570 0.024 0.000 2.474 1065 I HA 0.497 4.667 4.170 0.001 0.000 0.294 1065 I C 0.813 176.980 176.117 0.082 0.000 1.005 1065 I CA -0.819 60.517 61.300 0.060 0.000 1.113 1065 I CB 2.189 40.197 38.000 0.013 0.000 1.289 1065 I HN 0.937 nan 8.210 nan 0.000 0.436 1066 S N 4.740 120.529 115.700 0.149 0.000 2.655 1066 S HA 0.361 4.831 4.470 0.001 0.000 0.265 1066 S C 0.001 174.642 174.600 0.070 0.000 1.240 1066 S CA -0.773 57.504 58.200 0.128 0.000 0.986 1066 S CB 0.859 64.187 63.200 0.213 0.000 0.985 1066 S HN 0.510 nan 8.310 nan 0.000 0.562 1067 E N 1.363 121.593 120.200 0.051 0.000 2.373 1067 E HA 0.294 4.644 4.350 0.001 0.000 0.263 1067 E C -2.397 174.221 176.600 0.030 0.000 1.073 1067 E CA -1.896 54.523 56.400 0.031 0.000 0.894 1067 E CB -0.202 29.510 29.700 0.020 0.000 1.008 1067 E HN 0.465 nan 8.360 nan 0.000 0.420 1068 P HA -0.044 nan 4.420 nan 0.000 0.268 1068 P C -0.350 176.952 177.300 0.003 0.000 1.204 1068 P CA 0.012 63.120 63.100 0.013 0.000 0.768 1068 P CB 0.436 32.142 31.700 0.010 0.000 0.842 1069 D N 1.710 122.103 120.400 -0.011 0.000 2.348 1069 D HA -0.008 4.633 4.640 0.001 0.000 0.272 1069 D C 0.924 177.213 176.300 -0.019 0.000 1.237 1069 D CA -0.009 53.978 54.000 -0.022 0.000 1.042 1069 D CB -0.128 40.640 40.800 -0.054 0.000 1.117 1069 D HN 0.253 nan 8.370 nan 0.000 0.548 1070 E N -0.896 119.290 120.200 -0.023 0.000 2.110 1070 E HA -0.144 4.206 4.350 0.001 0.000 0.193 1070 E C 1.474 178.064 176.600 -0.016 0.000 0.988 1070 E CA 1.380 57.771 56.400 -0.016 0.000 0.804 1070 E CB -0.471 29.220 29.700 -0.015 0.000 0.745 1070 E HN 0.415 nan 8.360 nan 0.000 0.458 1071 N N -0.371 118.314 118.700 -0.026 0.000 2.457 1071 N HA 0.079 4.819 4.740 0.001 0.000 0.180 1071 N C 0.748 176.250 175.510 -0.014 0.000 1.050 1071 N CA 1.002 54.039 53.050 -0.022 0.000 0.906 1071 N CB 0.558 39.025 38.487 -0.034 0.000 0.968 1071 N HN 0.296 nan 8.380 nan 0.000 0.445 1072 G N -0.393 108.399 108.800 -0.013 0.000 2.141 1072 G HA2 -0.222 3.738 3.960 0.001 0.000 0.195 1072 G HA3 -0.222 3.738 3.960 0.001 0.000 0.195 1072 G C -0.678 174.223 174.900 0.002 0.000 1.012 1072 G CA -0.594 44.504 45.100 -0.003 0.000 0.696 1072 G HN 0.232 nan 8.290 nan 0.000 0.508 1073 N N 0.487 119.181 118.700 -0.010 0.000 2.400 1073 N HA 0.485 5.225 4.740 0.001 0.000 0.288 1073 N C 0.259 175.776 175.510 0.013 0.000 1.024 1073 N CA -0.369 52.681 53.050 0.001 0.000 0.894 1073 N CB 1.109 39.574 38.487 -0.038 0.000 1.173 1073 N HN 0.384 nan 8.380 nan 0.000 0.487 1074 R N 0.496 121.027 120.500 0.053 0.000 2.540 1074 R HA 0.450 4.791 4.340 0.001 0.000 0.287 1074 R C -0.318 176.058 176.300 0.127 0.000 0.980 1074 R CA -0.556 55.586 56.100 0.071 0.000 0.966 1074 R CB 1.077 31.410 30.300 0.055 0.000 1.106 1074 R HN 0.332 nan 8.270 nan 0.000 0.480 1075 T N 3.585 118.221 114.554 0.137 0.000 2.753 1075 T HA 0.367 4.718 4.350 0.001 0.000 0.297 1075 T C 0.421 175.137 174.700 0.026 0.000 0.981 1075 T CA -0.495 61.679 62.100 0.125 0.000 0.956 1075 T CB 0.396 69.321 68.868 0.094 0.000 0.936 1075 T HN 0.315 nan 8.240 nan 0.000 0.463 1076 I N 3.821 124.335 120.570 -0.092 0.000 2.325 1076 I HA 0.242 4.412 4.170 0.001 0.000 0.291 1076 I C -0.561 175.362 176.117 -0.323 0.000 1.019 1076 I CA -0.808 60.370 61.300 -0.204 0.000 1.302 1076 I CB 0.519 38.297 38.000 -0.371 0.000 1.401 1076 I HN 0.565 nan 8.210 nan 0.000 0.485 1077 Y N 6.414 126.569 120.300 -0.242 0.000 2.425 1077 Y HA 0.336 4.887 4.550 0.001 0.000 0.347 1077 Y C -0.188 175.604 175.900 -0.179 0.000 0.976 1077 Y CA -0.129 57.889 58.100 -0.137 0.000 1.190 1077 Y CB 0.229 38.653 38.460 -0.060 0.000 1.136 1077 Y HN 0.376 nan 8.280 nan 0.000 0.517 1078 Y N 0.993 121.345 120.300 0.088 0.000 2.567 1078 Y HA 0.768 5.318 4.550 0.001 0.000 0.333 1078 Y C -0.164 175.770 175.900 0.057 0.000 1.106 1078 Y CA -1.429 56.706 58.100 0.058 0.000 1.157 1078 Y CB 1.879 40.348 38.460 0.015 0.000 1.277 1078 Y HN 0.515 nan 8.280 nan 0.000 0.490 1079 A N 3.506 126.489 122.820 0.272 0.000 2.357 1079 A HA 0.664 4.984 4.320 0.001 0.000 0.295 1079 A C -1.241 176.399 177.584 0.094 0.000 1.121 1079 A CA -0.579 51.545 52.037 0.146 0.000 0.742 1079 A CB 0.797 19.864 19.000 0.112 0.000 1.181 1079 A HN 0.775 nan 8.150 nan 0.000 0.454 1080 M N 3.295 122.923 119.600 0.046 0.000 2.151 1080 M HA 0.351 4.831 4.480 0.001 0.000 0.290 1080 M C -0.409 175.889 176.300 -0.002 0.000 0.965 1080 M CA -0.011 55.288 55.300 -0.003 0.000 0.930 1080 M CB 0.678 33.243 32.600 -0.059 0.000 1.560 1080 M HN 0.899 nan 8.290 nan 0.000 0.438 1081 N N 3.484 122.183 118.700 -0.002 0.000 2.725 1081 N HA -0.186 4.554 4.740 0.001 0.000 0.251 1081 N C 0.447 175.959 175.510 0.004 0.000 1.031 1081 N CA 0.660 53.709 53.050 -0.003 0.000 0.720 1081 N CB -1.114 37.365 38.487 -0.012 0.000 0.930 1081 N HN 1.200 nan 8.380 nan 0.000 0.543 1082 G N -0.487 108.321 108.800 0.014 0.000 2.198 1082 G HA2 -0.326 3.634 3.960 0.001 0.000 0.260 1082 G HA3 -0.326 3.634 3.960 0.001 0.000 0.260 1082 G C -0.246 174.666 174.900 0.020 0.000 1.025 1082 G CA 0.713 45.824 45.100 0.018 0.000 0.769 1082 G HN 0.527 nan 8.290 nan 0.000 0.507 1083 Q N -0.552 119.262 119.800 0.024 0.000 2.285 1083 Q HA 0.726 5.066 4.340 0.001 0.000 0.269 1083 Q C 0.045 176.073 176.000 0.046 0.000 1.030 1083 Q CA 0.251 56.069 55.803 0.026 0.000 0.788 1083 Q CB 1.632 30.375 28.738 0.007 0.000 1.266 1083 Q HN 1.123 nan 8.270 nan 0.000 0.438 1084 A N 3.380 126.236 122.820 0.060 0.000 2.440 1084 A HA 0.698 5.018 4.320 0.001 0.000 0.251 1084 A C -0.428 177.199 177.584 0.073 0.000 1.089 1084 A CA 0.007 52.095 52.037 0.084 0.000 0.779 1084 A CB 0.335 19.392 19.000 0.095 0.000 1.022 1084 A HN 0.620 nan 8.150 nan 0.000 0.492 1085 R N 0.536 121.091 120.500 0.092 0.000 2.698 1085 R HA 0.596 4.937 4.340 0.001 0.000 0.275 1085 R C -1.083 175.242 176.300 0.041 0.000 1.001 1085 R CA -0.395 55.743 56.100 0.064 0.000 0.896 1085 R CB 1.771 32.115 30.300 0.074 0.000 1.218 1085 R HN 0.837 nan 8.270 nan 0.000 0.462 1086 R N 3.698 124.153 120.500 -0.074 0.000 2.532 1086 R HA 0.568 4.909 4.340 0.001 0.000 0.297 1086 R C -0.828 175.270 176.300 -0.337 0.000 0.984 1086 R CA -0.834 55.118 56.100 -0.246 0.000 0.884 1086 R CB 1.629 31.720 30.300 -0.349 0.000 1.182 1086 R HN 0.354 nan 8.270 nan 0.000 0.442 1087 I N 3.376 123.775 120.570 -0.284 0.000 2.498 1087 I HA 0.325 4.496 4.170 0.001 0.000 0.290 1087 I C -0.584 175.396 176.117 -0.230 0.000 1.032 1087 I CA -0.961 60.186 61.300 -0.254 0.000 1.073 1087 I CB 1.593 39.635 38.000 0.070 0.000 1.251 1087 I HN 0.583 nan 8.210 nan 0.000 0.426 1088 Y N 5.769 126.071 120.300 0.004 0.000 2.335 1088 Y HA 0.597 5.148 4.550 0.001 0.000 0.339 1088 Y C -0.018 175.894 175.900 0.020 0.000 0.987 1088 Y CA -0.893 57.205 58.100 -0.005 0.000 1.140 1088 Y CB 1.656 40.110 38.460 -0.010 0.000 1.173 1088 Y HN 0.334 nan 8.280 nan 0.000 0.486 1089 I N 3.719 124.390 120.570 0.167 0.000 2.509 1089 I HA 0.233 4.404 4.170 0.001 0.000 0.293 1089 I C -0.339 175.827 176.117 0.082 0.000 1.020 1089 I CA -1.086 60.279 61.300 0.109 0.000 1.088 1089 I CB 1.697 39.745 38.000 0.079 0.000 1.267 1089 I HN 0.407 nan 8.210 nan 0.000 0.430 1090 K N 4.703 125.142 120.400 0.066 0.000 2.292 1090 K HA 0.088 4.409 4.320 0.001 0.000 0.290 1090 K C -0.677 175.941 176.600 0.031 0.000 1.083 1090 K CA -0.234 56.079 56.287 0.043 0.000 0.918 1090 K CB 0.269 32.792 32.500 0.038 0.000 1.089 1090 K HN 0.535 nan 8.250 nan 0.000 0.473 1091 D N 3.180 123.595 120.400 0.026 0.000 2.414 1091 D HA -0.017 4.623 4.640 0.001 0.000 0.242 1091 D C -0.021 176.287 176.300 0.013 0.000 1.129 1091 D CA 0.476 54.486 54.000 0.018 0.000 0.885 1091 D CB 0.763 41.573 40.800 0.017 0.000 1.198 1091 D HN 0.503 nan 8.370 nan 0.000 0.437 1092 E N 1.620 121.825 120.200 0.009 0.000 2.812 1092 E HA 0.100 4.451 4.350 0.001 0.000 0.211 1092 E C -0.351 176.251 176.600 0.005 0.000 0.986 1092 E CA -0.509 55.895 56.400 0.007 0.000 1.119 1092 E CB 0.336 30.039 29.700 0.005 0.000 1.046 1092 E HN 0.351 nan 8.360 nan 0.000 0.474 1141 E N 0.074 120.275 120.200 0.002 0.000 2.146 1141 E HA 0.754 5.104 4.350 0.001 0.000 0.282 1141 E C 0.350 176.952 176.600 0.002 0.000 0.989 1141 E CA -0.064 56.337 56.400 0.002 0.000 0.799 1141 E CB 1.030 30.731 29.700 0.002 0.000 1.088 1141 E HN 0.945 nan 8.360 nan 0.000 0.397 1142 A N 4.537 127.358 122.820 0.002 0.000 2.759 1142 A HA 0.373 4.693 4.320 0.001 0.000 0.214 1142 A C 0.448 178.033 177.584 0.002 0.000 2.342 1142 A CA -0.098 51.940 52.037 0.002 0.000 1.364 1142 A CB 0.270 19.271 19.000 0.002 0.000 1.221 1142 A HN 0.651 nan 8.150 nan 0.000 0.468 1143 M N -0.004 119.597 119.600 0.001 0.000 3.106 1143 M HA 0.300 4.780 4.480 0.001 0.000 0.213 1143 M C -0.445 175.855 176.300 0.001 0.000 1.117 1143 M CA -0.014 55.287 55.300 0.001 0.000 0.900 1143 M CB 0.522 33.122 32.600 0.001 0.000 1.339 1143 M HN 0.556 nan 8.290 nan 0.000 0.542 1144 K N -0.805 119.596 120.400 0.001 0.000 3.529 1144 K HA -0.144 4.176 4.320 0.001 0.000 0.313 1144 K C -0.421 176.180 176.600 0.001 0.000 1.316 1144 K CA 0.972 57.260 56.287 0.001 0.000 0.988 1144 K CB -0.826 31.675 32.500 0.001 0.000 1.252 1144 K HN 0.454 nan 8.250 nan 0.000 0.438 1145 M N 1.522 121.123 119.600 0.002 0.000 2.066 1145 M HA 0.204 4.684 4.480 0.001 0.000 0.340 1145 M C -0.164 176.137 176.300 0.002 0.000 1.053 1145 M CA 0.082 55.383 55.300 0.002 0.000 0.983 1145 M CB 1.264 33.865 32.600 0.002 0.000 1.520 1145 M HN 0.019 nan 8.290 nan 0.000 0.428 1146 E N 3.825 124.026 120.200 0.002 0.000 2.176 1146 E HA 0.639 4.989 4.350 0.001 0.000 0.267 1146 E C -1.332 175.269 176.600 0.002 0.000 0.893 1146 E CA -0.037 56.365 56.400 0.002 0.000 0.761 1146 E CB 1.657 31.358 29.700 0.002 0.000 1.133 1146 E HN 0.787 nan 8.360 nan 0.000 0.409 1147 T N 0.000 114.555 114.554 0.002 0.000 3.816 1147 T HA 0.000 4.350 4.350 0.001 0.000 0.228 1147 T CA 0.000 62.101 62.100 0.002 0.000 1.349 1147 T CB 0.000 68.869 68.868 0.002 0.000 0.612 1147 T HN 0.000 nan 8.240 nan 0.000 0.658