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 3ho8_1_B DATA FIRST_RESID 36 DATA SEQUENCE QIKKLLVANR GEIAIRIFRA AAELDISTVA IYSNEDKSSL HRYKADESYL DATA SEQUENCE VGSDLGPAES YLNIERIIDV AKQANVDAIH PGYGFLSENE QFARRCAEEG DATA SEQUENCE IKFIGPHLEH LDMFGDKVKA RTTAIKADLP VIPXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXIDNPKHI 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 MWGGATFDVA 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 RIYIKDEN 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 0.000 176.014 176.000 0.023 0.000 1.003 36 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 36 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 37 I N 2.816 123.402 120.570 0.026 0.000 2.505 37 I HA 0.054 4.225 4.170 0.001 0.000 0.287 37 I C 0.550 176.687 176.117 0.034 0.000 1.104 37 I CA 0.985 62.303 61.300 0.031 0.000 1.387 37 I CB 0.597 38.617 38.000 0.033 0.000 1.404 37 I HN 0.355 nan 8.210 nan 0.000 0.528 38 K N 4.129 124.550 120.400 0.036 0.000 2.464 38 K HA 0.177 4.498 4.320 0.001 0.000 0.206 38 K C 0.173 176.801 176.600 0.047 0.000 1.186 38 K CA -0.034 56.276 56.287 0.037 0.000 0.990 38 K CB 0.831 33.349 32.500 0.030 0.000 1.003 38 K HN 0.234 nan 8.250 nan 0.000 0.562 39 K N 1.476 121.907 120.400 0.053 0.000 2.581 39 K HA 0.377 4.698 4.320 0.001 0.000 0.249 39 K C -2.011 174.638 176.600 0.083 0.000 0.966 39 K CA -0.266 56.062 56.287 0.069 0.000 0.811 39 K CB 1.453 33.990 32.500 0.062 0.000 1.223 39 K HN -0.086 nan 8.250 nan 0.000 0.438 40 L N 5.429 126.719 121.223 0.112 0.000 2.298 40 L HA 0.538 4.879 4.340 0.001 0.000 0.284 40 L C -1.048 175.930 176.870 0.180 0.000 1.013 40 L CA -0.914 54.003 54.840 0.128 0.000 0.824 40 L CB 1.018 43.153 42.059 0.127 0.000 1.221 40 L HN 0.666 nan 8.230 nan 0.000 0.418 41 L N 5.039 126.359 121.223 0.161 0.000 2.325 41 L HA 0.540 4.881 4.340 0.001 0.000 0.279 41 L C -0.795 176.176 176.870 0.169 0.000 1.054 41 L CA -0.412 54.547 54.840 0.199 0.000 0.804 41 L CB 1.691 43.856 42.059 0.176 0.000 1.200 41 L HN 0.302 nan 8.230 nan 0.000 0.436 42 V N 5.033 125.050 119.914 0.171 0.000 2.370 42 V HA 0.403 4.523 4.120 0.001 0.000 0.279 42 V C 0.656 176.808 176.094 0.097 0.000 1.029 42 V CA -0.293 62.017 62.300 0.018 0.000 0.870 42 V CB 1.268 32.918 31.823 -0.288 0.000 0.984 42 V HN 0.896 nan 8.190 nan 0.000 0.451 43 A N 4.748 127.629 122.820 0.102 0.000 3.105 43 A HA 0.486 4.806 4.320 0.001 0.000 0.272 43 A C 0.318 177.896 177.584 -0.011 0.000 1.466 43 A CA 0.049 52.144 52.037 0.097 0.000 1.101 43 A CB -0.750 18.331 19.000 0.136 0.000 1.065 43 A HN 0.847 nan 8.150 nan 0.000 0.643 44 N N -0.671 117.975 118.700 -0.089 0.000 3.316 44 N HA 0.689 5.429 4.740 0.001 0.000 0.300 44 N C -0.668 174.522 175.510 -0.533 0.000 1.567 44 N CA -0.800 52.038 53.050 -0.355 0.000 0.821 44 N CB 1.200 39.487 38.487 -0.333 0.000 1.748 44 N HN 0.514 nan 8.380 nan 0.000 0.603 45 R N -0.586 119.418 120.500 -0.826 0.000 2.831 45 R HA 0.802 5.142 4.340 0.001 0.000 0.266 45 R C 0.182 176.069 176.300 -0.689 0.000 1.051 45 R CA -0.436 54.999 56.100 -1.108 0.000 0.943 45 R CB 0.407 30.089 30.300 -1.030 0.000 1.228 45 R HN 0.672 nan 8.270 nan 0.000 0.467 46 G N 1.080 109.574 108.800 -0.509 0.000 2.591 46 G HA2 -0.461 3.500 3.960 0.001 0.000 0.278 46 G HA3 -0.461 3.500 3.960 0.001 0.000 0.278 46 G C 0.737 175.563 174.900 -0.123 0.000 1.293 46 G CA 1.067 46.069 45.100 -0.164 0.000 0.930 46 G HN 1.120 nan 8.290 nan 0.000 0.562 47 E N -0.758 119.425 120.200 -0.029 0.000 2.082 47 E HA -0.260 4.090 4.350 0.001 0.000 0.215 47 E C 2.403 178.973 176.600 -0.049 0.000 1.048 47 E CA 2.613 59.018 56.400 0.009 0.000 0.869 47 E CB -0.378 29.370 29.700 0.079 0.000 0.773 47 E HN 0.854 nan 8.360 nan 0.000 0.466 48 I N 0.695 121.192 120.570 -0.120 0.000 2.530 48 I HA -0.145 4.026 4.170 0.001 0.000 0.257 48 I C 2.186 178.089 176.117 -0.358 0.000 1.179 48 I CA 1.286 62.447 61.300 -0.231 0.000 1.440 48 I CB -0.641 37.025 38.000 -0.556 0.000 1.087 48 I HN 0.395 nan 8.210 nan 0.000 0.440 49 A N -0.118 122.481 122.820 -0.368 0.000 1.897 49 A HA -0.102 4.219 4.320 0.001 0.000 0.215 49 A C 2.199 179.550 177.584 -0.389 0.000 1.181 49 A CA 1.443 53.187 52.037 -0.489 0.000 0.620 49 A CB -0.746 18.041 19.000 -0.354 0.000 0.821 49 A HN 0.363 nan 8.150 nan 0.000 0.443 50 I N -0.508 120.027 120.570 -0.058 0.000 2.226 50 I HA -0.216 3.954 4.170 0.001 0.000 0.245 50 I C 2.532 178.655 176.117 0.011 0.000 1.100 50 I CA 1.533 62.888 61.300 0.092 0.000 1.374 50 I CB -0.240 37.795 38.000 0.059 0.000 1.057 50 I HN 0.261 nan 8.210 nan 0.000 0.413 51 R N 1.337 121.800 120.500 -0.063 0.000 2.082 51 R HA -0.150 4.191 4.340 0.001 0.000 0.234 51 R C 2.116 178.338 176.300 -0.130 0.000 1.136 51 R CA 1.932 58.005 56.100 -0.044 0.000 0.935 51 R CB -0.952 29.356 30.300 0.014 0.000 0.842 51 R HN 0.310 nan 8.270 nan 0.000 0.430 52 I N -0.216 120.158 120.570 -0.326 0.000 2.118 52 I HA -0.322 3.849 4.170 0.001 0.000 0.241 52 I C 2.116 178.107 176.117 -0.211 0.000 1.070 52 I CA 1.828 62.880 61.300 -0.413 0.000 1.327 52 I CB -0.393 37.153 38.000 -0.757 0.000 1.034 52 I HN 0.132 nan 8.210 nan 0.000 0.405 53 F N 0.495 120.401 119.950 -0.074 0.000 2.250 53 F HA -0.208 4.320 4.527 0.001 0.000 0.301 53 F C 2.671 178.457 175.800 -0.024 0.000 1.077 53 F CA 0.868 58.846 58.000 -0.037 0.000 1.348 53 F CB -0.315 38.667 39.000 -0.030 0.000 1.040 53 F HN -0.026 nan 8.300 nan 0.000 0.509 54 R N -0.075 120.509 120.500 0.141 0.000 2.119 54 R HA -0.007 4.334 4.340 0.001 0.000 0.222 54 R C 2.407 178.741 176.300 0.057 0.000 1.088 54 R CA 0.933 57.083 56.100 0.084 0.000 0.984 54 R CB -0.455 29.882 30.300 0.061 0.000 0.884 54 R HN 0.241 nan 8.270 nan 0.000 0.447 55 A N 1.335 124.174 122.820 0.031 0.000 1.855 55 A HA 0.039 4.360 4.320 0.001 0.000 0.213 55 A C 2.369 179.975 177.584 0.037 0.000 1.195 55 A CA 1.217 53.267 52.037 0.021 0.000 0.610 55 A CB -0.638 18.357 19.000 -0.009 0.000 0.837 55 A HN 0.319 nan 8.150 nan 0.000 0.444 56 A N 0.006 122.854 122.820 0.046 0.000 1.948 56 A HA 0.074 4.394 4.320 0.001 0.000 0.220 56 A C 2.422 180.052 177.584 0.077 0.000 1.177 56 A CA 2.290 54.370 52.037 0.071 0.000 0.636 56 A CB -0.901 18.165 19.000 0.110 0.000 0.815 56 A HN 1.072 nan 8.150 nan 0.000 0.449 57 A N 0.005 122.876 122.820 0.085 0.000 1.968 57 A HA -0.076 4.244 4.320 0.001 0.000 0.217 57 A C 1.848 179.461 177.584 0.048 0.000 1.169 57 A CA 1.230 53.308 52.037 0.067 0.000 0.638 57 A CB -0.421 18.619 19.000 0.067 0.000 0.812 57 A HN 0.667 nan 8.150 nan 0.000 0.446 58 E N 0.225 120.452 120.200 0.045 0.000 2.153 58 E HA -0.126 4.225 4.350 0.001 0.000 0.194 58 E C 1.071 177.691 176.600 0.033 0.000 0.988 58 E CA 0.888 57.310 56.400 0.036 0.000 0.811 58 E CB -0.337 29.383 29.700 0.033 0.000 0.746 58 E HN 0.610 nan 8.360 nan 0.000 0.466 59 L N 1.530 122.775 121.223 0.036 0.000 2.645 59 L HA 0.018 4.359 4.340 0.001 0.000 0.234 59 L C -0.488 176.403 176.870 0.035 0.000 1.165 59 L CA -0.094 54.766 54.840 0.034 0.000 0.944 59 L CB -0.230 41.850 42.059 0.035 0.000 1.149 59 L HN -0.064 nan 8.230 nan 0.000 0.446 60 D N -0.212 120.210 120.400 0.036 0.000 2.837 60 D HA -0.186 4.455 4.640 0.001 0.000 0.230 60 D C 0.051 176.375 176.300 0.039 0.000 1.152 60 D CA 0.793 54.814 54.000 0.034 0.000 0.736 60 D CB -1.162 39.654 40.800 0.028 0.000 1.084 60 D HN 0.120 nan 8.370 nan 0.000 0.429 61 I N 0.213 120.813 120.570 0.050 0.000 2.519 61 I HA 0.115 4.285 4.170 0.001 0.000 0.287 61 I C 1.052 177.208 176.117 0.065 0.000 1.047 61 I CA -0.365 60.971 61.300 0.059 0.000 1.381 61 I CB 0.993 39.035 38.000 0.071 0.000 1.417 61 I HN -0.203 nan 8.210 nan 0.000 0.540 62 S N 4.012 119.749 115.700 0.062 0.000 2.505 62 S HA 0.328 4.798 4.470 0.001 0.000 0.276 62 S C 0.430 175.083 174.600 0.089 0.000 1.274 62 S CA -0.666 57.571 58.200 0.061 0.000 1.053 62 S CB 0.383 63.615 63.200 0.053 0.000 0.919 62 S HN 0.728 nan 8.310 nan 0.000 0.490 63 T N -0.121 114.480 114.554 0.078 0.000 2.771 63 T HA 0.632 4.982 4.350 0.001 0.000 0.281 63 T C -0.405 174.341 174.700 0.076 0.000 0.982 63 T CA -0.760 61.420 62.100 0.133 0.000 0.978 63 T CB 0.831 69.791 68.868 0.153 0.000 0.930 63 T HN 0.266 nan 8.240 nan 0.000 0.447 64 V N 2.493 122.535 119.914 0.213 0.000 2.448 64 V HA 0.775 4.896 4.120 0.001 0.000 0.295 64 V C 0.308 176.610 176.094 0.347 0.000 1.025 64 V CA -0.918 61.512 62.300 0.217 0.000 0.859 64 V CB 1.264 33.231 31.823 0.241 0.000 0.988 64 V HN 1.271 nan 8.190 nan 0.000 0.431 65 A N 5.971 128.953 122.820 0.270 0.000 2.324 65 A HA 0.944 5.265 4.320 0.001 0.000 0.330 65 A C -0.517 177.314 177.584 0.411 0.000 1.165 65 A CA -0.632 51.684 52.037 0.465 0.000 0.813 65 A CB 0.999 20.201 19.000 0.337 0.000 1.197 65 A HN 0.968 nan 8.150 nan 0.000 0.484 66 I N -0.241 120.591 120.570 0.437 0.000 2.493 66 I HA 0.828 4.999 4.170 0.001 0.000 0.298 66 I C -0.739 175.664 176.117 0.477 0.000 0.998 66 I CA -0.923 60.574 61.300 0.328 0.000 1.137 66 I CB 1.523 39.616 38.000 0.156 0.000 1.310 66 I HN 0.711 nan 8.210 nan 0.000 0.445 67 Y N 2.574 122.986 120.300 0.186 0.000 2.545 67 Y HA 0.844 5.395 4.550 0.001 0.000 0.348 67 Y C -0.353 175.562 175.900 0.025 0.000 1.002 67 Y CA -0.987 57.237 58.100 0.207 0.000 1.039 67 Y CB 1.118 39.644 38.460 0.109 0.000 1.271 67 Y HN 0.754 nan 8.280 nan 0.000 0.467 68 S N 0.726 116.555 115.700 0.216 0.000 2.745 68 S HA 0.337 4.808 4.470 0.001 0.000 0.292 68 S C 0.160 174.905 174.600 0.242 0.000 1.133 68 S CA -0.594 57.651 58.200 0.075 0.000 0.998 68 S CB 1.141 64.428 63.200 0.145 0.000 1.087 68 S HN 0.783 nan 8.310 nan 0.000 0.551 69 N N 1.468 120.258 118.700 0.151 0.000 2.037 69 N HA -0.186 4.555 4.740 0.001 0.000 0.196 69 N C 1.494 177.145 175.510 0.235 0.000 1.034 69 N CA 1.978 55.131 53.050 0.172 0.000 0.861 69 N CB -0.676 37.872 38.487 0.101 0.000 1.039 69 N HN 0.868 nan 8.380 nan 0.000 0.427 70 E N 0.550 120.918 120.200 0.280 0.000 2.338 70 E HA -0.064 4.286 4.350 0.001 0.000 0.197 70 E C 0.101 176.904 176.600 0.339 0.000 1.007 70 E CA 0.795 57.385 56.400 0.316 0.000 0.849 70 E CB -0.035 29.896 29.700 0.385 0.000 0.774 70 E HN 0.292 nan 8.360 nan 0.000 0.506 71 D N -0.076 120.545 120.400 0.368 0.000 2.358 71 D HA -0.022 4.618 4.640 0.001 0.000 0.224 71 D C 1.016 177.418 176.300 0.171 0.000 1.123 71 D CA -0.046 54.136 54.000 0.304 0.000 0.833 71 D CB 0.367 41.401 40.800 0.390 0.000 0.946 71 D HN 0.089 nan 8.370 nan 0.000 0.505 72 K N 0.558 121.050 120.400 0.154 0.000 2.077 72 K HA -0.132 4.189 4.320 0.001 0.000 0.213 72 K C 1.877 178.446 176.600 -0.053 0.000 1.051 72 K CA 0.994 57.269 56.287 -0.020 0.000 0.929 72 K CB -0.460 32.072 32.500 0.054 0.000 0.715 72 K HN 0.029 nan 8.250 nan 0.000 0.451 73 S N 0.912 116.657 115.700 0.076 0.000 2.461 73 S HA -0.039 4.432 4.470 0.001 0.000 0.228 73 S C 1.016 175.724 174.600 0.181 0.000 1.005 73 S CA -0.003 58.284 58.200 0.146 0.000 0.942 73 S CB 0.004 63.343 63.200 0.232 0.000 0.776 73 S HN 0.375 nan 8.310 nan 0.000 0.514 74 S N 1.045 116.827 115.700 0.136 0.000 2.554 74 S HA 0.059 4.530 4.470 0.001 0.000 0.290 74 S C 1.104 175.661 174.600 -0.072 0.000 1.309 74 S CA -0.249 58.027 58.200 0.126 0.000 1.047 74 S CB 0.196 63.509 63.200 0.189 0.000 0.828 74 S HN 0.419 nan 8.310 nan 0.000 0.509 75 L N 4.217 125.344 121.223 -0.160 0.000 2.141 75 L HA -0.088 4.253 4.340 0.001 0.000 0.209 75 L C 2.564 179.110 176.870 -0.540 0.000 1.094 75 L CA 1.677 56.211 54.840 -0.511 0.000 0.763 75 L CB -0.458 41.351 42.059 -0.417 0.000 0.908 75 L HN 0.977 nan 8.230 nan 0.000 0.437 76 H N -0.778 118.154 119.070 -0.231 0.000 2.428 76 H HA -0.127 4.430 4.556 0.001 0.000 0.296 76 H C 1.982 177.233 175.328 -0.127 0.000 1.062 76 H CA 0.653 56.639 56.048 -0.103 0.000 1.350 76 H CB -0.350 29.454 29.762 0.070 0.000 1.403 76 H HN 0.313 nan 8.280 nan 0.000 0.533 77 R N 0.810 120.843 120.500 -0.779 0.000 2.159 77 R HA -0.239 4.102 4.340 0.001 0.000 0.249 77 R C 1.108 177.261 176.300 -0.245 0.000 1.136 77 R CA 2.491 58.303 56.100 -0.481 0.000 0.951 77 R CB -0.609 29.450 30.300 -0.402 0.000 0.876 77 R HN 0.632 nan 8.270 nan 0.000 0.440 78 Y N -1.503 118.609 120.300 -0.312 0.000 2.833 78 Y HA 0.422 4.973 4.550 0.001 0.000 0.339 78 Y C 0.310 176.073 175.900 -0.229 0.000 1.032 78 Y CA -0.587 57.358 58.100 -0.259 0.000 1.450 78 Y CB 0.286 38.610 38.460 -0.227 0.000 1.296 78 Y HN -0.235 nan 8.280 nan 0.000 0.535 79 K N 0.917 121.092 120.400 -0.375 0.000 2.536 79 K HA 0.567 4.888 4.320 0.001 0.000 0.203 79 K C -0.279 175.991 176.600 -0.551 0.000 1.063 79 K CA 0.006 56.094 56.287 -0.332 0.000 1.063 79 K CB 1.050 33.422 32.500 -0.213 0.000 0.843 79 K HN 0.422 nan 8.250 nan 0.000 0.521 80 A N 0.499 122.920 122.820 -0.666 0.000 2.423 80 A HA 0.370 4.691 4.320 0.001 0.000 0.304 80 A C -0.104 177.291 177.584 -0.315 0.000 1.104 80 A CA -0.584 51.008 52.037 -0.742 0.000 0.757 80 A CB 1.090 19.386 19.000 -1.173 0.000 1.313 80 A HN -0.040 nan 8.150 nan 0.000 0.423 81 D N 0.439 120.728 120.400 -0.185 0.000 2.123 81 D HA -0.056 4.584 4.640 0.001 0.000 0.196 81 D C 0.172 176.428 176.300 -0.073 0.000 0.992 81 D CA 1.787 55.736 54.000 -0.086 0.000 0.833 81 D CB 0.199 40.984 40.800 -0.026 0.000 0.954 81 D HN 0.709 nan 8.370 nan 0.000 0.455 82 E N -0.990 119.177 120.200 -0.056 0.000 2.317 82 E HA 0.524 4.875 4.350 0.001 0.000 0.270 82 E C -0.894 175.675 176.600 -0.051 0.000 0.885 82 E CA -0.701 55.676 56.400 -0.038 0.000 0.760 82 E CB 2.406 32.197 29.700 0.152 0.000 1.227 82 E HN -0.008 nan 8.360 nan 0.000 0.434 83 S N 1.149 116.724 115.700 -0.208 0.000 2.549 83 S HA 0.706 5.177 4.470 0.001 0.000 0.280 83 S C -1.355 173.095 174.600 -0.250 0.000 1.109 83 S CA -0.771 57.407 58.200 -0.036 0.000 0.905 83 S CB 0.918 64.129 63.200 0.019 0.000 1.081 83 S HN 0.469 nan 8.310 nan 0.000 0.477 84 Y N 0.424 120.856 120.300 0.221 0.000 2.479 84 Y HA 0.506 5.057 4.550 0.000 0.000 0.338 84 Y C -0.663 174.910 175.900 -0.546 0.000 1.055 84 Y CA -1.143 56.938 58.100 -0.031 0.000 1.023 84 Y CB 1.530 39.974 38.460 -0.026 0.000 1.287 84 Y HN 0.759 nan 8.280 nan 0.000 0.447 85 L N 4.832 125.731 121.223 -0.541 0.000 2.418 85 L HA 0.344 4.685 4.340 0.001 0.000 0.274 85 L C -0.021 176.676 176.870 -0.289 0.000 1.135 85 L CA -0.424 54.017 54.840 -0.665 0.000 0.870 85 L CB 0.446 42.289 42.059 -0.360 0.000 1.154 85 L HN 0.473 nan 8.230 nan 0.000 0.462 86 V N 3.331 123.066 119.914 -0.299 0.000 2.112 86 V HA 0.678 4.799 4.120 0.001 0.000 0.271 86 V C 0.749 176.752 176.094 -0.151 0.000 1.465 86 V CA -0.166 62.021 62.300 -0.189 0.000 1.419 86 V CB -0.774 30.923 31.823 -0.211 0.000 1.409 86 V HN 1.243 nan 8.190 nan 0.000 0.495 87 G N 3.488 112.221 108.800 -0.111 0.000 3.273 87 G HA2 -0.171 3.790 3.960 0.001 0.000 0.325 87 G HA3 -0.171 3.790 3.960 0.001 0.000 0.325 87 G C 0.468 175.324 174.900 -0.074 0.000 0.960 87 G CA 0.062 45.116 45.100 -0.076 0.000 0.808 87 G HN 1.538 nan 8.290 nan 0.000 0.387 88 S N 0.658 116.326 115.700 -0.053 0.000 2.537 88 S HA -0.083 4.387 4.470 0.001 0.000 0.240 88 S C 1.599 176.185 174.600 -0.024 0.000 0.981 88 S CA 1.505 59.685 58.200 -0.033 0.000 0.948 88 S CB 0.041 63.235 63.200 -0.010 0.000 0.759 88 S HN 0.739 nan 8.310 nan 0.000 0.531 89 D N 2.749 123.132 120.400 -0.029 0.000 2.087 89 D HA -0.001 4.639 4.640 0.001 0.000 0.201 89 D C 0.871 177.153 176.300 -0.031 0.000 0.980 89 D CA 0.326 54.311 54.000 -0.024 0.000 0.849 89 D CB -0.843 39.943 40.800 -0.023 0.000 1.001 89 D HN 0.480 nan 8.370 nan 0.000 0.452 90 L N 0.691 121.891 121.223 -0.039 0.000 2.483 90 L HA 0.385 4.726 4.340 0.001 0.000 0.276 90 L C 1.098 177.937 176.870 -0.051 0.000 1.213 90 L CA -0.539 54.275 54.840 -0.044 0.000 0.843 90 L CB -0.453 41.580 42.059 -0.043 0.000 1.107 90 L HN -0.007 nan 8.230 nan 0.000 0.487 91 G N 1.508 110.270 108.800 -0.064 0.000 2.712 91 G HA2 0.317 4.278 3.960 0.001 0.000 0.258 91 G HA3 0.317 4.278 3.960 0.001 0.000 0.258 91 G C -1.426 173.438 174.900 -0.059 0.000 1.241 91 G CA -0.292 44.751 45.100 -0.094 0.000 0.923 91 G HN 0.753 nan 8.290 nan 0.000 0.548 92 P HA -0.101 nan 4.420 nan 0.000 0.217 92 P C 1.870 179.252 177.300 0.138 0.000 1.150 92 P CA 1.847 64.983 63.100 0.061 0.000 0.832 92 P CB 0.044 31.718 31.700 -0.044 0.000 0.787 93 A N 1.889 124.705 122.820 -0.006 0.000 1.858 93 A HA -0.172 4.148 4.320 0.001 0.000 0.216 93 A C 2.052 179.782 177.584 0.243 0.000 1.190 93 A CA 1.875 53.986 52.037 0.124 0.000 0.617 93 A CB -1.134 17.872 19.000 0.009 0.000 0.827 93 A HN 0.326 nan 8.150 nan 0.000 0.443 94 E N -0.022 120.246 120.200 0.113 0.000 2.479 94 E HA 0.090 4.441 4.350 0.001 0.000 0.193 94 E C 1.116 177.730 176.600 0.023 0.000 1.049 94 E CA 0.691 57.150 56.400 0.098 0.000 0.870 94 E CB -0.335 29.391 29.700 0.044 0.000 0.944 94 E HN 0.362 nan 8.360 nan 0.000 0.492 95 S N 0.322 115.998 115.700 -0.039 0.000 2.595 95 S HA -0.045 4.425 4.470 0.001 0.000 0.235 95 S C 0.133 174.384 174.600 -0.581 0.000 0.974 95 S CA 0.542 58.570 58.200 -0.287 0.000 0.942 95 S CB -0.313 62.671 63.200 -0.361 0.000 0.766 95 S HN 0.403 nan 8.310 nan 0.000 0.536 96 Y N -0.650 119.572 120.300 -0.130 0.000 2.707 96 Y HA 0.465 5.016 4.550 0.002 0.000 0.249 96 Y C 0.792 176.614 175.900 -0.130 0.000 1.166 96 Y CA -0.214 57.704 58.100 -0.303 0.000 1.184 96 Y CB 0.316 38.215 38.460 -0.934 0.000 1.240 96 Y HN 0.100 nan 8.280 nan 0.000 0.547 97 L N -0.656 120.606 121.223 0.064 0.000 3.086 97 L HA 0.236 4.576 4.340 0.001 0.000 0.274 97 L C 0.367 177.243 176.870 0.011 0.000 1.184 97 L CA 0.142 55.031 54.840 0.083 0.000 1.002 97 L CB 0.561 42.720 42.059 0.166 0.000 1.383 97 L HN 0.090 nan 8.230 nan 0.000 0.582 98 N N 1.158 119.843 118.700 -0.025 0.000 2.558 98 N HA 0.260 5.000 4.740 0.001 0.000 0.233 98 N C 0.988 176.503 175.510 0.009 0.000 1.038 98 N CA -0.082 52.962 53.050 -0.009 0.000 0.934 98 N CB 1.157 39.630 38.487 -0.023 0.000 1.175 98 N HN 0.152 nan 8.380 nan 0.000 0.512 99 I N 1.751 122.355 120.570 0.057 0.000 2.069 99 I HA -0.297 3.873 4.170 0.001 0.000 0.237 99 I C 1.862 178.090 176.117 0.185 0.000 1.053 99 I CA 1.300 62.708 61.300 0.180 0.000 1.311 99 I CB 0.018 38.152 38.000 0.223 0.000 1.030 99 I HN 0.422 nan 8.210 nan 0.000 0.398 100 E N 0.229 120.493 120.200 0.107 0.000 2.515 100 E HA -0.181 4.169 4.350 0.001 0.000 0.201 100 E C 1.971 178.603 176.600 0.053 0.000 1.071 100 E CA 0.682 57.127 56.400 0.075 0.000 0.880 100 E CB -0.141 29.585 29.700 0.043 0.000 0.828 100 E HN 0.360 nan 8.360 nan 0.000 0.540 101 R N 0.177 120.705 120.500 0.046 0.000 2.103 101 R HA 0.140 4.481 4.340 0.001 0.000 0.212 101 R C 2.176 178.487 176.300 0.019 0.000 1.107 101 R CA 0.240 56.346 56.100 0.010 0.000 1.025 101 R CB -0.092 30.195 30.300 -0.022 0.000 0.929 101 R HN 0.015 nan 8.270 nan 0.000 0.456 102 I N 0.934 121.534 120.570 0.049 0.000 2.423 102 I HA -0.260 3.911 4.170 0.001 0.000 0.254 102 I C 2.034 178.240 176.117 0.149 0.000 1.151 102 I CA 1.470 62.826 61.300 0.093 0.000 1.421 102 I CB -0.760 37.315 38.000 0.126 0.000 1.079 102 I HN 0.210 nan 8.210 nan 0.000 0.431 103 I N 0.831 121.497 120.570 0.160 0.000 2.315 103 I HA -0.275 3.895 4.170 0.001 0.000 0.248 103 I C 2.134 178.275 176.117 0.039 0.000 1.117 103 I CA 1.257 62.622 61.300 0.108 0.000 1.404 103 I CB -0.255 37.798 38.000 0.089 0.000 1.071 103 I HN 0.158 nan 8.210 nan 0.000 0.419 104 D N 0.317 120.727 120.400 0.016 0.000 2.077 104 D HA -0.144 4.496 4.640 0.001 0.000 0.196 104 D C 2.362 178.626 176.300 -0.061 0.000 0.986 104 D CA 1.203 55.188 54.000 -0.024 0.000 0.829 104 D CB -0.514 40.267 40.800 -0.032 0.000 0.983 104 D HN 0.046 nan 8.370 nan 0.000 0.453 105 V N 1.594 121.464 119.914 -0.074 0.000 2.250 105 V HA -0.339 3.782 4.120 0.001 0.000 0.250 105 V C 2.508 178.533 176.094 -0.115 0.000 1.060 105 V CA 2.215 64.427 62.300 -0.148 0.000 1.030 105 V CB -1.047 30.722 31.823 -0.090 0.000 0.643 105 V HN 0.237 nan 8.190 nan 0.000 0.445 106 A N -0.410 122.399 122.820 -0.019 0.000 1.859 106 A HA -0.331 3.990 4.320 0.001 0.000 0.217 106 A C 2.294 179.867 177.584 -0.018 0.000 1.198 106 A CA 2.572 54.617 52.037 0.012 0.000 0.629 106 A CB -0.586 18.448 19.000 0.057 0.000 0.830 106 A HN 0.578 nan 8.150 nan 0.000 0.446 107 K N -1.144 119.241 120.400 -0.025 0.000 2.057 107 K HA -0.147 4.173 4.320 0.001 0.000 0.206 107 K C 2.453 179.022 176.600 -0.052 0.000 1.050 107 K CA 1.264 57.533 56.287 -0.030 0.000 0.935 107 K CB -0.155 32.331 32.500 -0.024 0.000 0.715 107 K HN 0.511 nan 8.250 nan 0.000 0.439 108 Q N 0.478 120.225 119.800 -0.088 0.000 2.124 108 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 108 Q C 1.588 177.504 176.000 -0.140 0.000 0.977 108 Q CA 1.602 57.332 55.803 -0.121 0.000 0.850 108 Q CB 0.022 28.656 28.738 -0.174 0.000 0.901 108 Q HN 0.304 nan 8.270 nan 0.000 0.429 109 A N 0.306 123.029 122.820 -0.161 0.000 2.238 109 A HA 0.007 4.328 4.320 0.001 0.000 0.208 109 A C 0.113 177.687 177.584 -0.016 0.000 1.177 109 A CA 0.540 52.517 52.037 -0.099 0.000 0.804 109 A CB -0.187 18.758 19.000 -0.091 0.000 0.823 109 A HN 0.624 nan 8.150 nan 0.000 0.482 110 N N -1.737 116.951 118.700 -0.020 0.000 2.747 110 N HA -0.129 4.611 4.740 0.001 0.000 0.249 110 N C -0.448 175.071 175.510 0.016 0.000 1.107 110 N CA 0.867 53.917 53.050 0.000 0.000 0.707 110 N CB -2.064 36.427 38.487 0.008 0.000 1.054 110 N HN 0.237 nan 8.380 nan 0.000 0.555 111 V N 0.978 120.904 119.914 0.019 0.000 2.572 111 V HA 0.090 4.211 4.120 0.001 0.000 0.291 111 V C 1.197 177.309 176.094 0.029 0.000 1.039 111 V CA 0.443 62.766 62.300 0.038 0.000 1.055 111 V CB 1.231 33.088 31.823 0.056 0.000 0.969 111 V HN 0.356 nan 8.190 nan 0.000 0.482 112 D N 2.012 122.431 120.400 0.032 0.000 2.398 112 D HA 0.453 5.094 4.640 0.001 0.000 0.210 112 D C 0.227 176.539 176.300 0.021 0.000 1.094 112 D CA 0.465 54.478 54.000 0.022 0.000 0.839 112 D CB 0.673 41.485 40.800 0.020 0.000 0.963 112 D HN 0.650 nan 8.370 nan 0.000 0.506 113 A N 0.033 122.873 122.820 0.032 0.000 2.594 113 A HA 0.620 4.940 4.320 0.001 0.000 0.296 113 A C -1.601 176.010 177.584 0.046 0.000 1.061 113 A CA -0.802 51.251 52.037 0.026 0.000 0.689 113 A CB 1.013 20.024 19.000 0.019 0.000 1.280 113 A HN 0.104 nan 8.150 nan 0.000 0.406 114 I N 2.397 122.987 120.570 0.033 0.000 2.441 114 I HA 0.323 4.493 4.170 0.001 0.000 0.295 114 I C -0.423 175.697 176.117 0.006 0.000 0.994 114 I CA -0.635 60.713 61.300 0.080 0.000 1.144 114 I CB 1.748 39.843 38.000 0.159 0.000 1.314 114 I HN 0.764 nan 8.210 nan 0.000 0.445 115 H N 8.084 127.124 119.070 -0.051 0.000 2.552 115 H HA 0.308 4.865 4.556 0.001 0.000 0.311 115 H C -2.226 173.045 175.328 -0.096 0.000 1.071 115 H CA -2.236 53.730 56.048 -0.137 0.000 1.307 115 H CB 2.071 31.744 29.762 -0.150 0.000 1.416 115 H HN 0.298 nan 8.280 nan 0.000 0.464 116 P HA 0.028 nan 4.420 nan 0.000 0.217 116 P C 0.411 177.821 177.300 0.183 0.000 1.151 116 P CA 1.607 64.768 63.100 0.102 0.000 0.828 116 P CB 0.349 31.980 31.700 -0.115 0.000 0.788 117 G N -0.777 108.202 108.800 0.300 0.000 2.632 117 G HA2 -0.136 3.824 3.960 0.001 0.000 0.224 117 G HA3 -0.136 3.824 3.960 0.001 0.000 0.224 117 G C -0.946 174.015 174.900 0.102 0.000 1.341 117 G CA -0.218 44.923 45.100 0.068 0.000 0.880 117 G HN 0.322 nan 8.290 nan 0.000 0.566 118 Y N -0.768 119.611 120.300 0.132 0.000 2.528 118 Y HA 0.760 5.311 4.550 0.001 0.000 0.335 118 Y C 1.051 177.006 175.900 0.092 0.000 1.093 118 Y CA -0.428 57.736 58.100 0.107 0.000 1.134 118 Y CB 1.011 39.518 38.460 0.078 0.000 1.253 118 Y HN 2.701 nan 8.280 nan 0.000 0.478 119 G N 1.478 110.470 108.800 0.319 0.000 2.593 119 G HA2 -0.244 3.716 3.960 0.001 0.000 0.237 119 G HA3 -0.244 3.716 3.960 0.001 0.000 0.237 119 G C 0.077 175.040 174.900 0.104 0.000 1.312 119 G CA 0.174 45.334 45.100 0.099 0.000 0.896 119 G HN 1.112 nan 8.290 nan 0.000 0.574 120 F N -0.953 119.046 119.950 0.082 0.000 3.002 120 F HA -0.284 4.244 4.527 0.002 0.000 0.254 120 F C 1.629 177.452 175.800 0.039 0.000 1.434 120 F CA 2.553 60.584 58.000 0.052 0.000 1.773 120 F CB -1.283 37.731 39.000 0.023 0.000 0.569 120 F HN 0.554 nan 8.300 nan 0.000 0.401 121 L N 0.348 121.709 121.223 0.229 0.000 2.335 121 L HA 0.412 4.752 4.340 0.001 0.000 0.268 121 L C 0.096 177.149 176.870 0.305 0.000 1.037 121 L CA 0.123 55.039 54.840 0.126 0.000 0.895 121 L CB 1.042 42.912 42.059 -0.314 0.000 1.266 121 L HN 0.381 nan 8.230 nan 0.000 0.439 122 S N 0.068 115.974 115.700 0.344 0.000 2.615 122 S HA 0.097 4.568 4.470 0.001 0.000 0.277 122 S C 0.888 175.742 174.600 0.423 0.000 1.068 122 S CA -0.405 58.033 58.200 0.397 0.000 1.315 122 S CB 0.775 64.136 63.200 0.269 0.000 1.193 122 S HN 0.615 nan 8.310 nan 0.000 0.656 123 E N 1.407 121.800 120.200 0.321 0.000 2.743 123 E HA 0.198 4.548 4.350 0.001 0.000 0.222 123 E C -0.272 176.438 176.600 0.182 0.000 0.959 123 E CA -0.072 56.477 56.400 0.247 0.000 1.198 123 E CB 0.484 30.300 29.700 0.194 0.000 1.100 123 E HN 0.370 nan 8.360 nan 0.000 0.518 124 N N 1.100 119.910 118.700 0.183 0.000 2.455 124 N HA 0.025 4.766 4.740 0.001 0.000 0.280 124 N C 0.841 176.372 175.510 0.036 0.000 1.055 124 N CA -0.104 53.019 53.050 0.122 0.000 0.961 124 N CB 1.020 39.599 38.487 0.153 0.000 1.121 124 N HN 0.002 nan 8.380 nan 0.000 0.476 125 E N 2.190 122.399 120.200 0.016 0.000 2.031 125 E HA -0.243 4.108 4.350 0.001 0.000 0.193 125 E C 1.406 177.971 176.600 -0.059 0.000 0.994 125 E CA 1.447 57.822 56.400 -0.041 0.000 0.800 125 E CB -0.010 29.680 29.700 -0.017 0.000 0.752 125 E HN 0.713 nan 8.360 nan 0.000 0.447 126 Q N 0.236 120.041 119.800 0.008 0.000 2.050 126 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 126 Q C 1.982 178.001 176.000 0.032 0.000 0.980 126 Q CA 1.374 57.189 55.803 0.020 0.000 0.840 126 Q CB -0.603 28.169 28.738 0.057 0.000 0.898 126 Q HN 0.220 nan 8.270 nan 0.000 0.424 127 F N 0.298 120.212 119.950 -0.061 0.000 2.161 127 F HA -0.103 4.424 4.527 0.001 0.000 0.300 127 F C 1.839 177.569 175.800 -0.115 0.000 1.089 127 F CA 1.483 59.466 58.000 -0.030 0.000 1.282 127 F CB -0.672 38.362 39.000 0.058 0.000 1.010 127 F HN 0.174 nan 8.300 nan 0.000 0.485 128 A N 0.728 123.275 122.820 -0.455 0.000 1.854 128 A HA -0.165 4.156 4.320 0.001 0.000 0.214 128 A C 2.410 179.755 177.584 -0.398 0.000 1.192 128 A CA 1.478 53.029 52.037 -0.810 0.000 0.611 128 A CB -0.975 17.247 19.000 -1.297 0.000 0.832 128 A HN 0.424 nan 8.150 nan 0.000 0.442 129 R N -0.867 119.472 120.500 -0.269 0.000 2.140 129 R HA -0.219 4.122 4.340 0.001 0.000 0.250 129 R C 2.178 178.394 176.300 -0.140 0.000 1.150 129 R CA 1.841 57.842 56.100 -0.165 0.000 0.966 129 R CB -0.222 30.012 30.300 -0.111 0.000 0.869 129 R HN 0.337 nan 8.270 nan 0.000 0.445 130 R N 0.004 120.415 120.500 -0.147 0.000 2.075 130 R HA -0.023 4.318 4.340 0.001 0.000 0.226 130 R C 2.431 178.648 176.300 -0.138 0.000 1.114 130 R CA 1.079 57.111 56.100 -0.113 0.000 0.972 130 R CB -1.096 29.164 30.300 -0.068 0.000 0.869 130 R HN 0.335 nan 8.270 nan 0.000 0.437 131 C N 0.628 119.793 119.300 -0.225 0.000 2.376 131 C HA -0.179 4.282 4.460 0.001 0.000 0.275 131 C C 2.826 177.755 174.990 -0.102 0.000 1.200 131 C CA 1.339 60.244 59.018 -0.187 0.000 1.756 131 C CB -1.042 26.567 27.740 -0.218 0.000 2.050 131 C HN 0.573 nan 8.230 nan 0.000 0.460 132 A N -0.502 122.261 122.820 -0.095 0.000 2.066 132 A HA -0.106 4.215 4.320 0.001 0.000 0.218 132 A C 1.851 179.396 177.584 -0.065 0.000 1.157 132 A CA 1.102 53.097 52.037 -0.069 0.000 0.670 132 A CB -0.489 18.466 19.000 -0.075 0.000 0.804 132 A HN 0.745 nan 8.150 nan 0.000 0.453 133 E N -0.194 119.963 120.200 -0.071 0.000 2.511 133 E HA -0.038 4.313 4.350 0.001 0.000 0.196 133 E C 0.366 176.938 176.600 -0.046 0.000 1.066 133 E CA 0.362 56.728 56.400 -0.056 0.000 0.871 133 E CB 0.180 29.847 29.700 -0.055 0.000 0.863 133 E HN 0.498 nan 8.360 nan 0.000 0.520 134 E N -0.723 119.448 120.200 -0.048 0.000 2.714 134 E HA 0.116 4.467 4.350 0.001 0.000 0.219 134 E C 0.594 177.175 176.600 -0.032 0.000 0.979 134 E CA 0.132 56.509 56.400 -0.037 0.000 1.092 134 E CB 1.304 30.981 29.700 -0.037 0.000 1.049 134 E HN 0.258 nan 8.360 nan 0.000 0.487 135 G N 2.066 110.847 108.800 -0.033 0.000 2.198 135 G HA2 -0.288 3.673 3.960 0.001 0.000 0.260 135 G HA3 -0.288 3.673 3.960 0.001 0.000 0.260 135 G C 0.214 175.103 174.900 -0.019 0.000 1.025 135 G CA 0.325 45.410 45.100 -0.025 0.000 0.769 135 G HN 0.276 nan 8.290 nan 0.000 0.507 136 I N -0.063 120.492 120.570 -0.026 0.000 2.362 136 I HA 0.317 4.487 4.170 0.001 0.000 0.289 136 I C 0.501 176.612 176.117 -0.010 0.000 0.994 136 I CA -0.726 60.564 61.300 -0.018 0.000 1.158 136 I CB 1.821 39.803 38.000 -0.030 0.000 1.315 136 I HN -0.021 nan 8.210 nan 0.000 0.451 137 K N 7.472 127.875 120.400 0.005 0.000 2.231 137 K HA 0.216 4.537 4.320 0.001 0.000 0.275 137 K C -0.288 176.340 176.600 0.046 0.000 1.105 137 K CA -0.662 55.640 56.287 0.025 0.000 0.931 137 K CB 0.307 32.815 32.500 0.014 0.000 1.296 137 K HN 0.463 nan 8.250 nan 0.000 0.446 138 F N 5.349 125.244 119.950 -0.093 0.000 2.417 138 F HA -0.121 4.406 4.527 0.001 0.000 0.412 138 F C 0.211 175.975 175.800 -0.059 0.000 0.964 138 F CA 0.341 58.287 58.000 -0.089 0.000 1.081 138 F CB 0.136 39.074 39.000 -0.103 0.000 0.909 138 F HN 0.448 nan 8.300 nan 0.000 0.522 139 I N 7.693 127.975 120.570 -0.480 0.000 2.366 139 I HA 0.242 4.412 4.170 0.001 0.000 0.302 139 I C 0.865 176.639 176.117 -0.572 0.000 1.194 139 I CA 0.480 61.531 61.300 -0.416 0.000 1.667 139 I CB -1.142 36.636 38.000 -0.370 0.000 1.501 139 I HN 0.766 nan 8.210 nan 0.000 0.776 140 G N 5.626 114.244 108.800 -0.302 0.000 2.664 140 G HA2 0.506 4.466 3.960 0.001 0.000 0.303 140 G HA3 0.506 4.466 3.960 0.001 0.000 0.303 140 G C -3.134 171.799 174.900 0.056 0.000 1.243 140 G CA -0.591 44.437 45.100 -0.121 0.000 0.826 140 G HN 0.107 nan 8.290 nan 0.000 0.498 141 P HA 0.321 nan 4.420 nan 0.000 0.279 141 P C -0.494 176.972 177.300 0.277 0.000 1.282 141 P CA -0.424 62.643 63.100 -0.055 0.000 0.788 141 P CB 0.313 31.802 31.700 -0.352 0.000 1.139 142 H N -0.933 118.291 119.070 0.257 0.000 2.730 142 H HA 0.065 4.621 4.556 0.001 0.000 0.376 142 H C 1.529 176.850 175.328 -0.011 0.000 1.299 142 H CA -0.271 55.800 56.048 0.039 0.000 1.447 142 H CB -0.438 29.236 29.762 -0.147 0.000 1.493 142 H HN 0.186 nan 8.280 nan 0.000 0.619 143 L N 0.546 121.793 121.223 0.041 0.000 2.042 143 L HA -0.193 4.148 4.340 0.001 0.000 0.210 143 L C 2.357 179.200 176.870 -0.044 0.000 1.076 143 L CA 1.879 56.689 54.840 -0.049 0.000 0.749 143 L CB -0.623 41.378 42.059 -0.096 0.000 0.893 143 L HN 0.695 nan 8.230 nan 0.000 0.432 144 E N -1.608 118.540 120.200 -0.086 0.000 2.371 144 E HA -0.172 4.178 4.350 0.001 0.000 0.194 144 E C 1.853 178.398 176.600 -0.092 0.000 1.012 144 E CA 0.790 57.126 56.400 -0.107 0.000 0.860 144 E CB -0.600 29.020 29.700 -0.134 0.000 0.811 144 E HN 0.521 nan 8.360 nan 0.000 0.502 145 H N 1.667 120.740 119.070 0.005 0.000 2.319 145 H HA 0.001 4.558 4.556 0.001 0.000 0.299 145 H C 2.330 177.696 175.328 0.063 0.000 1.092 145 H CA 1.577 57.649 56.048 0.041 0.000 1.302 145 H CB -0.204 29.630 29.762 0.120 0.000 1.373 145 H HN 0.189 nan 8.280 nan 0.000 0.497 146 L N 0.198 121.560 121.223 0.231 0.000 2.083 146 L HA -0.154 4.187 4.340 0.001 0.000 0.209 146 L C 2.396 179.322 176.870 0.093 0.000 1.083 146 L CA 1.429 56.387 54.840 0.197 0.000 0.752 146 L CB -0.479 41.659 42.059 0.133 0.000 0.899 146 L HN 0.173 nan 8.230 nan 0.000 0.433 147 D N 1.443 121.850 120.400 0.011 0.000 2.106 147 D HA -0.258 4.383 4.640 0.001 0.000 0.191 147 D C 2.232 178.490 176.300 -0.070 0.000 0.997 147 D CA 2.019 56.002 54.000 -0.029 0.000 0.834 147 D CB -0.115 40.651 40.800 -0.056 0.000 0.956 147 D HN 0.398 nan 8.370 nan 0.000 0.448 148 M N -2.321 117.150 119.600 -0.216 0.000 2.619 148 M HA 0.116 4.597 4.480 0.001 0.000 0.251 148 M C 0.760 176.846 176.300 -0.356 0.000 1.106 148 M CA 1.012 56.094 55.300 -0.363 0.000 1.086 148 M CB -0.194 32.080 32.600 -0.543 0.000 1.465 148 M HN -0.032 nan 8.290 nan 0.000 0.506 149 F N 0.085 120.111 119.950 0.128 0.000 2.746 149 F HA 0.423 4.950 4.527 0.001 0.000 0.320 149 F C 1.915 177.779 175.800 0.105 0.000 1.097 149 F CA -0.614 57.464 58.000 0.130 0.000 1.195 149 F CB 0.510 39.599 39.000 0.149 0.000 1.056 149 F HN 0.196 nan 8.300 nan 0.000 0.562 150 G N 0.169 109.097 108.800 0.214 0.000 3.234 150 G HA2 0.046 4.007 3.960 0.001 0.000 0.221 150 G HA3 0.046 4.007 3.960 0.001 0.000 0.221 150 G C -0.722 174.249 174.900 0.118 0.000 1.229 150 G CA 0.457 45.649 45.100 0.153 0.000 0.909 150 G HN 0.240 nan 8.290 nan 0.000 0.510 151 D N -1.595 118.886 120.400 0.135 0.000 2.769 151 D HA 0.169 4.810 4.640 0.001 0.000 0.219 151 D C 0.902 177.276 176.300 0.123 0.000 1.245 151 D CA -0.757 53.305 54.000 0.103 0.000 0.801 151 D CB 1.341 42.187 40.800 0.078 0.000 1.598 151 D HN -0.135 nan 8.370 nan 0.000 0.485 152 K N 1.796 122.252 120.400 0.093 0.000 2.001 152 K HA 0.005 4.326 4.320 0.001 0.000 0.208 152 K C 1.418 178.081 176.600 0.104 0.000 1.048 152 K CA 1.972 58.316 56.287 0.094 0.000 0.932 152 K CB -0.575 31.961 32.500 0.061 0.000 0.715 152 K HN 0.294 nan 8.250 nan 0.000 0.437 153 V N 1.227 121.188 119.914 0.078 0.000 2.295 153 V HA -0.222 3.899 4.120 0.001 0.000 0.246 153 V C 2.454 178.594 176.094 0.075 0.000 1.049 153 V CA 2.265 64.605 62.300 0.067 0.000 1.024 153 V CB -0.628 31.222 31.823 0.046 0.000 0.648 153 V HN 0.401 nan 8.190 nan 0.000 0.447 154 K N 0.954 121.399 120.400 0.076 0.000 2.057 154 K HA -0.047 4.274 4.320 0.001 0.000 0.206 154 K C 2.106 178.767 176.600 0.102 0.000 1.050 154 K CA 1.574 57.899 56.287 0.063 0.000 0.935 154 K CB -0.599 31.924 32.500 0.037 0.000 0.715 154 K HN 0.358 nan 8.250 nan 0.000 0.439 155 A N 1.164 124.100 122.820 0.194 0.000 1.902 155 A HA -0.157 4.164 4.320 0.001 0.000 0.217 155 A C 2.187 179.953 177.584 0.303 0.000 1.181 155 A CA 1.479 53.733 52.037 0.361 0.000 0.623 155 A CB -0.633 18.677 19.000 0.516 0.000 0.818 155 A HN 0.287 nan 8.150 nan 0.000 0.443 156 R N -0.318 120.330 120.500 0.245 0.000 2.241 156 R HA -0.102 4.239 4.340 0.001 0.000 0.224 156 R C 1.394 177.755 176.300 0.101 0.000 1.101 156 R CA 1.852 58.072 56.100 0.200 0.000 0.995 156 R CB -0.480 29.909 30.300 0.148 0.000 0.870 156 R HN 0.620 nan 8.270 nan 0.000 0.463 157 T N -1.378 113.222 114.554 0.076 0.000 3.021 157 T HA 0.021 4.372 4.350 0.001 0.000 0.245 157 T C 1.707 176.413 174.700 0.011 0.000 1.028 157 T CA 0.997 63.117 62.100 0.035 0.000 1.139 157 T CB -0.115 68.769 68.868 0.028 0.000 0.884 157 T HN 0.171 nan 8.240 nan 0.000 0.457 158 T N 2.551 117.118 114.554 0.021 0.000 2.737 158 T HA -0.107 4.244 4.350 0.001 0.000 0.269 158 T C 2.370 177.042 174.700 -0.046 0.000 1.040 158 T CA 1.351 63.453 62.100 0.003 0.000 1.142 158 T CB -0.521 68.370 68.868 0.039 0.000 0.861 158 T HN 0.455 nan 8.240 nan 0.000 0.456 159 A N 0.950 123.684 122.820 -0.143 0.000 1.873 159 A HA 0.059 4.379 4.320 0.001 0.000 0.215 159 A C 2.307 179.813 177.584 -0.130 0.000 1.186 159 A CA 1.018 52.862 52.037 -0.322 0.000 0.616 159 A CB -0.668 17.938 19.000 -0.655 0.000 0.823 159 A HN 0.506 nan 8.150 nan 0.000 0.442 160 I N -0.909 119.630 120.570 -0.052 0.000 2.286 160 I HA -0.227 3.943 4.170 0.001 0.000 0.248 160 I C 2.376 178.487 176.117 -0.010 0.000 1.115 160 I CA 1.438 62.731 61.300 -0.011 0.000 1.392 160 I CB -0.160 37.846 38.000 0.011 0.000 1.065 160 I HN 0.164 nan 8.210 nan 0.000 0.418 161 K N 1.037 121.429 120.400 -0.013 0.000 2.147 161 K HA -0.042 4.279 4.320 0.001 0.000 0.205 161 K C 1.411 178.008 176.600 -0.006 0.000 1.049 161 K CA 1.228 57.511 56.287 -0.007 0.000 0.936 161 K CB -0.200 32.296 32.500 -0.007 0.000 0.722 161 K HN 0.281 nan 8.250 nan 0.000 0.446 162 A N 1.369 124.178 122.820 -0.018 0.000 2.684 162 A HA 0.146 4.466 4.320 0.001 0.000 0.288 162 A C -0.877 176.702 177.584 -0.008 0.000 1.337 162 A CA 0.123 52.154 52.037 -0.011 0.000 0.946 162 A CB -1.052 17.939 19.000 -0.014 0.000 1.093 162 A HN 0.517 nan 8.150 nan 0.000 0.543 163 D N -1.480 118.919 120.400 -0.001 0.000 2.740 163 D HA -0.177 4.464 4.640 0.001 0.000 0.231 163 D C -0.522 175.797 176.300 0.032 0.000 1.194 163 D CA 0.841 54.850 54.000 0.014 0.000 0.673 163 D CB -2.008 38.802 40.800 0.018 0.000 0.995 163 D HN 0.410 nan 8.370 nan 0.000 0.411 164 L N -0.169 121.073 121.223 0.031 0.000 2.386 164 L HA 0.598 4.939 4.340 0.001 0.000 0.271 164 L C -1.864 175.086 176.870 0.133 0.000 0.993 164 L CA -2.212 52.686 54.840 0.095 0.000 0.819 164 L CB 2.014 44.119 42.059 0.075 0.000 1.294 164 L HN -0.009 nan 8.230 nan 0.000 0.414 165 P HA 0.091 nan 4.420 nan 0.000 0.270 165 P C -0.025 177.506 177.300 0.384 0.000 1.223 165 P CA -0.091 63.161 63.100 0.253 0.000 0.785 165 P CB 1.544 33.382 31.700 0.230 0.000 0.923 166 V N -2.090 117.991 119.914 0.279 0.000 3.188 166 V HA 0.168 4.289 4.120 0.001 0.000 0.258 166 V C 0.939 176.957 176.094 -0.126 0.000 1.702 166 V CA -0.248 62.146 62.300 0.157 0.000 1.020 166 V CB -0.982 30.936 31.823 0.157 0.000 0.884 166 V HN 0.208 nan 8.190 nan 0.000 0.399 167 I N 3.555 124.018 120.570 -0.179 0.000 3.055 167 I HA 0.231 4.402 4.170 0.001 0.000 0.308 167 I C -0.806 175.145 176.117 -0.276 0.000 1.224 167 I CA -0.487 60.696 61.300 -0.194 0.000 1.443 167 I CB -0.181 37.740 38.000 -0.132 0.000 1.318 167 I HN 0.306 nan 8.210 nan 0.000 0.577 240 D N 1.495 121.928 120.400 0.055 0.000 2.803 240 D HA 0.313 4.954 4.640 0.001 0.000 0.218 240 D C -0.490 175.847 176.300 0.061 0.000 1.245 240 D CA -0.204 53.826 54.000 0.050 0.000 0.821 240 D CB 2.132 42.956 40.800 0.041 0.000 1.626 240 D HN 0.728 nan 8.370 nan 0.000 0.487 241 N N 1.063 119.801 118.700 0.063 0.000 2.708 241 N HA -0.164 4.577 4.740 0.001 0.000 0.251 241 N C -2.434 173.121 175.510 0.075 0.000 1.017 241 N CA -0.001 53.092 53.050 0.072 0.000 0.742 241 N CB -0.637 37.889 38.487 0.064 0.000 0.943 241 N HN 0.259 nan 8.380 nan 0.000 0.539 242 P HA 0.208 nan 4.420 nan 0.000 0.279 242 P C -0.596 176.756 177.300 0.088 0.000 1.252 242 P CA -0.085 63.066 63.100 0.085 0.000 0.811 242 P CB 1.017 32.772 31.700 0.092 0.000 1.035 243 K N 0.902 121.345 120.400 0.072 0.000 2.185 243 K HA 0.285 4.605 4.320 0.001 0.000 0.269 243 K C -0.025 176.645 176.600 0.117 0.000 0.987 243 K CA -0.622 55.713 56.287 0.080 0.000 0.865 243 K CB 0.800 33.303 32.500 0.005 0.000 1.090 243 K HN 0.558 nan 8.250 nan 0.000 0.450 244 H N 4.559 123.673 119.070 0.073 0.000 2.782 244 H HA 0.208 4.765 4.556 0.001 0.000 0.285 244 H C -0.841 174.522 175.328 0.058 0.000 1.093 244 H CA -0.204 55.886 56.048 0.070 0.000 1.410 244 H CB 0.174 29.975 29.762 0.066 0.000 1.439 244 H HN 0.402 nan 8.280 nan 0.000 0.469 245 I N 5.725 126.461 120.570 0.276 0.000 2.468 245 I HA 0.125 4.296 4.170 0.001 0.000 0.285 245 I C 0.137 176.394 176.117 0.233 0.000 1.039 245 I CA -0.627 60.781 61.300 0.181 0.000 1.074 245 I CB 1.880 39.910 38.000 0.049 0.000 1.228 245 I HN 0.623 nan 8.210 nan 0.000 0.436 246 E N 6.387 126.693 120.200 0.178 0.000 2.207 246 E HA 0.713 5.064 4.350 0.001 0.000 0.270 246 E C -1.616 175.048 176.600 0.107 0.000 0.927 246 E CA -0.739 55.752 56.400 0.152 0.000 0.799 246 E CB 2.780 32.531 29.700 0.084 0.000 1.172 246 E HN 0.229 nan 8.360 nan 0.000 0.404 247 V N 2.217 122.200 119.914 0.114 0.000 2.409 247 V HA 0.184 4.305 4.120 0.001 0.000 0.291 247 V C -0.262 175.852 176.094 0.034 0.000 1.020 247 V CA -0.828 61.510 62.300 0.064 0.000 0.848 247 V CB 1.145 32.995 31.823 0.045 0.000 0.990 247 V HN 0.761 nan 8.190 nan 0.000 0.430 248 Q N 3.641 123.469 119.800 0.046 0.000 2.279 248 Q HA 0.581 4.922 4.340 0.001 0.000 0.256 248 Q C -1.153 174.872 176.000 0.042 0.000 0.937 248 Q CA 0.000 55.826 55.803 0.038 0.000 0.933 248 Q CB 1.627 30.401 28.738 0.060 0.000 1.189 248 Q HN 0.604 nan 8.270 nan 0.000 0.417 249 V N 5.936 125.857 119.914 0.012 0.000 2.588 249 V HA 0.514 4.634 4.120 0.001 0.000 0.304 249 V C -0.777 175.352 176.094 0.058 0.000 1.042 249 V CA -0.793 61.520 62.300 0.022 0.000 0.877 249 V CB 1.899 33.699 31.823 -0.038 0.000 0.996 249 V HN 0.720 nan 8.190 nan 0.000 0.425 250 I N 3.787 124.398 120.570 0.069 0.000 2.447 250 I HA 0.670 4.840 4.170 0.001 0.000 0.287 250 I C 0.399 176.566 176.117 0.084 0.000 1.023 250 I CA -0.232 61.121 61.300 0.089 0.000 1.083 250 I CB 1.411 39.441 38.000 0.050 0.000 1.245 250 I HN 0.682 nan 8.210 nan 0.000 0.434 251 G N 4.615 113.481 108.800 0.110 0.000 2.453 251 G HA2 0.643 4.603 3.960 0.001 0.000 0.323 251 G HA3 0.643 4.603 3.960 0.001 0.000 0.323 251 G C -0.838 174.072 174.900 0.016 0.000 1.198 251 G CA -0.313 44.827 45.100 0.067 0.000 0.959 251 G HN 0.650 nan 8.290 nan 0.000 0.482 252 D N -1.300 119.117 120.400 0.029 0.000 2.589 252 D HA 0.248 4.889 4.640 0.001 0.000 0.268 252 D C 0.192 176.492 176.300 -0.001 0.000 1.182 252 D CA -0.644 53.379 54.000 0.037 0.000 1.087 252 D CB 0.794 41.662 40.800 0.113 0.000 1.186 252 D HN 0.387 nan 8.370 nan 0.000 0.620 253 E N -1.391 118.798 120.200 -0.018 0.000 2.542 253 E HA 0.163 4.514 4.350 0.001 0.000 0.224 253 E C -0.428 175.915 176.600 -0.428 0.000 1.110 253 E CA -0.146 56.156 56.400 -0.164 0.000 1.350 253 E CB -0.170 29.441 29.700 -0.148 0.000 1.302 253 E HN 0.445 nan 8.360 nan 0.000 0.435 254 H N -1.005 118.083 119.070 0.029 0.000 3.109 254 H HA 0.219 4.775 4.556 0.001 0.000 0.248 254 H C 1.062 176.405 175.328 0.024 0.000 1.177 254 H CA 0.161 56.225 56.048 0.027 0.000 0.977 254 H CB 1.502 31.276 29.762 0.020 0.000 2.165 254 H HN 0.368 nan 8.280 nan 0.000 0.693 255 G N 0.703 109.562 108.800 0.099 0.000 2.420 255 G HA2 -0.341 3.619 3.960 0.001 0.000 0.221 255 G HA3 -0.341 3.619 3.960 0.001 0.000 0.221 255 G C 0.109 175.048 174.900 0.065 0.000 1.117 255 G CA -0.053 45.092 45.100 0.075 0.000 0.657 255 G HN 0.411 nan 8.290 nan 0.000 0.512 256 N N 0.873 119.616 118.700 0.072 0.000 2.492 256 N HA 0.589 5.330 4.740 0.001 0.000 0.260 256 N C -0.192 175.346 175.510 0.046 0.000 1.215 256 N CA 0.625 53.704 53.050 0.049 0.000 0.923 256 N CB 1.048 39.558 38.487 0.039 0.000 1.092 256 N HN 0.525 nan 8.380 nan 0.000 0.448 257 I N 0.426 121.017 120.570 0.035 0.000 2.692 257 I HA 0.383 4.554 4.170 0.001 0.000 0.293 257 I C -0.922 175.201 176.117 0.011 0.000 1.200 257 I CA -1.048 60.274 61.300 0.037 0.000 1.036 257 I CB 1.929 39.965 38.000 0.060 0.000 1.258 257 I HN 0.263 nan 8.210 nan 0.000 0.421 258 V N 1.141 121.052 119.914 -0.006 0.000 3.040 258 V HA 0.690 4.811 4.120 0.001 0.000 0.312 258 V C -0.999 175.066 176.094 -0.049 0.000 1.115 258 V CA -0.757 61.502 62.300 -0.068 0.000 0.998 258 V CB 1.758 33.510 31.823 -0.119 0.000 1.042 258 V HN 0.880 nan 8.190 nan 0.000 0.433 259 H N 1.601 120.592 119.070 -0.132 0.000 2.472 259 H HA 0.756 5.312 4.556 0.001 0.000 0.338 259 H C -0.535 174.657 175.328 -0.226 0.000 1.133 259 H CA -1.265 54.686 56.048 -0.161 0.000 1.216 259 H CB 1.607 31.254 29.762 -0.192 0.000 1.497 259 H HN 0.594 nan 8.280 nan 0.000 0.500 260 L N 3.938 125.153 121.223 -0.014 0.000 2.978 260 L HA 0.276 4.617 4.340 0.001 0.000 0.239 260 L C -0.557 176.444 176.870 0.218 0.000 1.293 260 L CA -0.279 54.566 54.840 0.009 0.000 1.085 260 L CB -1.102 40.984 42.059 0.046 0.000 1.432 260 L HN 0.650 nan 8.230 nan 0.000 0.512 261 F N -0.010 120.141 119.950 0.335 0.000 2.183 261 F HA -0.323 4.204 4.527 0.001 0.000 0.318 261 F C 0.845 176.661 175.800 0.026 0.000 0.129 261 F CA 1.154 59.255 58.000 0.169 0.000 0.912 261 F CB -0.384 38.649 39.000 0.055 0.000 4.135 261 F HN 0.407 nan 8.300 nan 0.000 0.137 262 E N 1.680 122.016 120.200 0.226 0.000 2.378 262 E HA 0.745 5.096 4.350 0.001 0.000 0.265 262 E C -1.431 175.189 176.600 0.034 0.000 0.932 262 E CA -1.013 55.433 56.400 0.078 0.000 0.795 262 E CB 2.290 32.000 29.700 0.016 0.000 1.296 262 E HN 0.602 nan 8.360 nan 0.000 0.438 263 R N 0.561 121.077 120.500 0.027 0.000 2.628 263 R HA 0.308 4.649 4.340 0.001 0.000 0.288 263 R C -1.063 175.255 176.300 0.030 0.000 0.980 263 R CA -0.824 55.286 56.100 0.017 0.000 0.891 263 R CB 1.585 31.898 30.300 0.021 0.000 1.188 263 R HN 0.504 nan 8.270 nan 0.000 0.450 264 D N 2.023 122.443 120.400 0.034 0.000 2.313 264 D HA 0.136 4.777 4.640 0.001 0.000 0.239 264 D C -0.276 176.098 176.300 0.124 0.000 1.142 264 D CA -0.217 53.827 54.000 0.073 0.000 0.847 264 D CB 1.007 41.840 40.800 0.055 0.000 1.082 264 D HN 0.561 nan 8.370 nan 0.000 0.480 265 C N 2.770 122.132 119.300 0.103 0.000 2.742 265 C HA 0.189 4.650 4.460 0.001 0.000 0.283 265 C C 1.923 176.973 174.990 0.100 0.000 1.451 265 C CA -0.470 58.566 59.018 0.030 0.000 1.785 265 C CB -1.136 26.492 27.740 -0.186 0.000 2.664 265 C HN 0.522 nan 8.230 nan 0.000 0.544 266 S N 0.508 116.367 115.700 0.265 0.000 2.489 266 S HA -0.026 4.445 4.470 0.001 0.000 0.228 266 S C 0.958 175.747 174.600 0.316 0.000 0.995 266 S CA 0.628 59.024 58.200 0.326 0.000 0.934 266 S CB -0.004 63.415 63.200 0.364 0.000 0.771 266 S HN 0.530 nan 8.310 nan 0.000 0.522 267 V N 4.617 124.669 119.914 0.231 0.000 2.302 267 V HA 0.147 4.268 4.120 0.001 0.000 0.244 267 V C 0.170 176.340 176.094 0.127 0.000 1.160 267 V CA 0.042 62.419 62.300 0.129 0.000 1.127 267 V CB -0.888 30.899 31.823 -0.061 0.000 1.253 267 V HN 0.476 nan 8.190 nan 0.000 0.496 268 Q N 3.953 123.846 119.800 0.155 0.000 2.421 268 Q HA 0.596 4.937 4.340 0.001 0.000 0.280 268 Q C 0.469 176.503 176.000 0.057 0.000 1.085 268 Q CA -1.107 54.740 55.803 0.073 0.000 0.807 268 Q CB 2.170 30.935 28.738 0.044 0.000 1.405 268 Q HN 0.513 nan 8.270 nan 0.000 0.419 269 R N 0.637 121.111 120.500 -0.044 0.000 2.074 269 R HA 0.295 4.636 4.340 0.001 0.000 0.218 269 R C 1.187 177.419 176.300 -0.113 0.000 1.137 269 R CA 0.609 56.641 56.100 -0.114 0.000 0.998 269 R CB 0.201 30.274 30.300 -0.379 0.000 0.895 269 R HN 0.679 nan 8.270 nan 0.000 0.442 270 R N -1.886 118.530 120.500 -0.141 0.000 5.519 270 R HA 0.192 4.533 4.340 0.001 0.000 0.077 270 R C 0.043 176.197 176.300 -0.243 0.000 0.759 270 R CA -0.015 55.976 56.100 -0.181 0.000 1.051 270 R CB 0.419 30.625 30.300 -0.157 0.000 1.313 270 R HN 0.245 nan 8.270 nan 0.000 0.388 271 H N 0.463 119.494 119.070 -0.064 0.000 2.490 271 H HA 0.466 5.023 4.556 0.001 0.000 0.285 271 H C -0.889 174.405 175.328 -0.056 0.000 1.127 271 H CA -0.125 55.896 56.048 -0.044 0.000 0.993 271 H CB 0.776 30.515 29.762 -0.037 0.000 1.653 271 H HN 0.010 nan 8.280 nan 0.000 0.557 272 Q N 0.715 120.520 119.800 0.009 0.000 2.721 272 Q HA 0.170 4.511 4.340 0.001 0.000 0.282 272 Q C -1.317 174.651 176.000 -0.053 0.000 0.932 272 Q CA -0.935 54.852 55.803 -0.027 0.000 0.816 272 Q CB 1.855 30.568 28.738 -0.042 0.000 1.506 272 Q HN 0.302 nan 8.270 nan 0.000 0.399 273 K N 0.709 121.071 120.400 -0.064 0.000 2.218 273 K HA 0.321 4.642 4.320 0.001 0.000 0.276 273 K C 0.511 177.092 176.600 -0.033 0.000 1.022 273 K CA -0.273 55.980 56.287 -0.057 0.000 0.946 273 K CB 1.262 33.707 32.500 -0.092 0.000 1.000 273 K HN 0.328 nan 8.250 nan 0.000 0.468 274 V N 0.594 120.509 119.914 0.002 0.000 2.806 274 V HA 0.082 4.203 4.120 0.001 0.000 0.239 274 V C 0.287 176.397 176.094 0.028 0.000 1.113 274 V CA 0.000 62.322 62.300 0.037 0.000 1.137 274 V CB 0.581 32.473 31.823 0.114 0.000 0.865 274 V HN 0.466 nan 8.190 nan 0.000 0.482 275 V N 1.140 121.062 119.914 0.013 0.000 2.638 275 V HA 0.597 4.717 4.120 0.001 0.000 0.306 275 V C -1.287 174.841 176.094 0.056 0.000 1.052 275 V CA -0.435 61.866 62.300 0.001 0.000 0.885 275 V CB 2.124 33.877 31.823 -0.117 0.000 0.999 275 V HN 0.466 nan 8.190 nan 0.000 0.424 276 E N 2.766 123.011 120.200 0.076 0.000 2.238 276 E HA 0.761 5.111 4.350 0.001 0.000 0.267 276 E C -1.239 175.448 176.600 0.146 0.000 0.887 276 E CA -0.520 55.938 56.400 0.097 0.000 0.769 276 E CB 2.502 32.221 29.700 0.032 0.000 1.187 276 E HN 0.407 nan 8.360 nan 0.000 0.416 277 V N 0.774 120.782 119.914 0.158 0.000 2.604 277 V HA 0.892 5.013 4.120 0.001 0.000 0.305 277 V C -0.680 175.443 176.094 0.048 0.000 1.043 277 V CA -1.011 61.372 62.300 0.139 0.000 0.888 277 V CB 1.749 33.649 31.823 0.128 0.000 0.995 277 V HN 0.769 nan 8.190 nan 0.000 0.429 278 A N 5.965 128.795 122.820 0.017 0.000 2.359 278 A HA 0.953 5.274 4.320 0.001 0.000 0.303 278 A C -2.906 174.562 177.584 -0.194 0.000 1.066 278 A CA -1.698 50.297 52.037 -0.069 0.000 0.730 278 A CB 1.999 20.973 19.000 -0.045 0.000 1.211 278 A HN 0.587 nan 8.150 nan 0.000 0.439 279 P HA 0.205 nan 4.420 nan 0.000 0.276 279 P C 0.316 177.472 177.300 -0.241 0.000 1.261 279 P CA -0.202 62.717 63.100 -0.302 0.000 0.800 279 P CB 0.970 32.407 31.700 -0.439 0.000 1.066 280 S N -0.004 115.596 115.700 -0.166 0.000 2.552 280 S HA 0.131 4.602 4.470 0.001 0.000 0.289 280 S C 0.146 174.653 174.600 -0.155 0.000 1.304 280 S CA -0.547 57.561 58.200 -0.154 0.000 1.063 280 S CB -0.582 62.529 63.200 -0.147 0.000 0.848 280 S HN 0.206 nan 8.310 nan 0.000 0.499 281 V N 4.539 124.326 119.914 -0.212 0.000 2.785 281 V HA 0.659 4.779 4.120 0.001 0.000 0.300 281 V C 1.804 177.756 176.094 -0.237 0.000 1.062 281 V CA 0.061 62.231 62.300 -0.216 0.000 1.029 281 V CB 0.326 31.849 31.823 -0.500 0.000 1.024 281 V HN 1.405 nan 8.190 nan 0.000 0.477 282 G N 2.547 111.249 108.800 -0.164 0.000 2.205 282 G HA2 -0.215 3.746 3.960 0.001 0.000 0.261 282 G HA3 -0.215 3.746 3.960 0.001 0.000 0.261 282 G C 0.018 174.837 174.900 -0.135 0.000 0.980 282 G CA 0.176 45.184 45.100 -0.153 0.000 0.632 282 G HN 0.559 nan 8.290 nan 0.000 0.533 283 L N 2.187 123.328 121.223 -0.137 0.000 2.326 283 L HA 0.494 4.835 4.340 0.001 0.000 0.278 283 L C 1.391 178.205 176.870 -0.094 0.000 1.092 283 L CA -0.108 54.662 54.840 -0.116 0.000 0.810 283 L CB 1.360 43.340 42.059 -0.131 0.000 1.153 283 L HN 0.415 nan 8.230 nan 0.000 0.439 284 S N 3.399 119.053 115.700 -0.078 0.000 2.634 284 S HA 0.293 4.763 4.470 0.001 0.000 0.261 284 S C -1.675 172.887 174.600 -0.063 0.000 1.271 284 S CA -1.083 57.081 58.200 -0.061 0.000 0.985 284 S CB 0.514 63.686 63.200 -0.047 0.000 0.968 284 S HN 0.501 nan 8.310 nan 0.000 0.568 285 P HA -0.102 nan 4.420 nan 0.000 0.213 285 P C 1.600 178.877 177.300 -0.038 0.000 1.170 285 P CA 1.914 64.990 63.100 -0.041 0.000 0.893 285 P CB -0.958 30.726 31.700 -0.027 0.000 0.784 286 T N -1.351 113.184 114.554 -0.032 0.000 2.849 286 T HA -0.115 4.236 4.350 0.001 0.000 0.270 286 T C 2.015 176.684 174.700 -0.051 0.000 1.066 286 T CA 0.747 62.829 62.100 -0.030 0.000 1.130 286 T CB -0.968 67.889 68.868 -0.018 0.000 0.864 286 T HN -0.005 nan 8.240 nan 0.000 0.481 287 L N 1.075 122.258 121.223 -0.068 0.000 2.102 287 L HA 0.029 4.370 4.340 0.001 0.000 0.202 287 L C 3.148 179.900 176.870 -0.198 0.000 1.076 287 L CA 1.170 55.950 54.840 -0.101 0.000 0.761 287 L CB -0.243 41.768 42.059 -0.081 0.000 0.921 287 L HN 0.350 nan 8.230 nan 0.000 0.444 288 R N -1.011 119.390 120.500 -0.165 0.000 2.075 288 R HA -0.168 4.172 4.340 0.001 0.000 0.232 288 R C 2.019 178.204 176.300 -0.191 0.000 1.126 288 R CA 0.654 56.641 56.100 -0.189 0.000 0.963 288 R CB -0.664 29.572 30.300 -0.108 0.000 0.858 288 R HN 0.338 nan 8.270 nan 0.000 0.435 289 Q N 1.418 121.153 119.800 -0.109 0.000 2.014 289 Q HA -0.130 4.211 4.340 0.001 0.000 0.207 289 Q C 2.254 178.149 176.000 -0.174 0.000 0.993 289 Q CA 1.855 57.600 55.803 -0.096 0.000 0.850 289 Q CB -0.267 28.453 28.738 -0.030 0.000 0.916 289 Q HN 0.429 nan 8.270 nan 0.000 0.417 290 R N -0.204 120.194 120.500 -0.169 0.000 2.091 290 R HA -0.110 4.230 4.340 0.001 0.000 0.238 290 R C 2.493 178.542 176.300 -0.419 0.000 1.136 290 R CA 1.288 57.295 56.100 -0.156 0.000 0.959 290 R CB -0.531 29.775 30.300 0.009 0.000 0.856 290 R HN 0.304 nan 8.270 nan 0.000 0.437 291 I N 0.312 120.409 120.570 -0.789 0.000 2.127 291 I HA -0.363 3.807 4.170 0.001 0.000 0.241 291 I C 2.560 178.229 176.117 -0.746 0.000 1.075 291 I CA 1.239 61.789 61.300 -1.250 0.000 1.334 291 I CB -0.372 36.916 38.000 -1.186 0.000 1.040 291 I HN 0.237 nan 8.210 nan 0.000 0.405 292 C N 0.658 119.647 119.300 -0.519 0.000 2.413 292 C HA -0.176 4.285 4.460 0.001 0.000 0.277 292 C C 2.446 177.212 174.990 -0.374 0.000 1.265 292 C CA 0.783 59.493 59.018 -0.513 0.000 1.752 292 C CB -1.109 26.177 27.740 -0.757 0.000 1.998 292 C HN 0.538 nan 8.230 nan 0.000 0.489 293 D N 1.060 121.305 120.400 -0.259 0.000 2.117 293 D HA -0.094 4.546 4.640 0.001 0.000 0.197 293 D C 2.315 178.575 176.300 -0.066 0.000 0.987 293 D CA 1.711 55.640 54.000 -0.120 0.000 0.829 293 D CB -0.586 40.173 40.800 -0.069 0.000 0.961 293 D HN 0.511 nan 8.370 nan 0.000 0.460 294 A N 1.159 123.928 122.820 -0.086 0.000 1.972 294 A HA -0.057 4.263 4.320 0.001 0.000 0.219 294 A C 2.319 179.979 177.584 0.128 0.000 1.169 294 A CA 2.138 54.200 52.037 0.041 0.000 0.635 294 A CB -0.576 18.471 19.000 0.078 0.000 0.810 294 A HN 0.247 nan 8.150 nan 0.000 0.446 295 A N 0.234 123.097 122.820 0.072 0.000 1.855 295 A HA -0.042 4.278 4.320 0.001 0.000 0.215 295 A C 1.986 179.597 177.584 0.045 0.000 1.191 295 A CA 1.565 53.687 52.037 0.142 0.000 0.613 295 A CB -0.534 18.517 19.000 0.085 0.000 0.829 295 A HN 0.375 nan 8.150 nan 0.000 0.442 296 I N 0.109 120.679 120.570 0.000 0.000 2.113 296 I HA -0.328 3.843 4.170 0.001 0.000 0.242 296 I C 2.618 178.757 176.117 0.036 0.000 1.064 296 I CA 2.121 63.435 61.300 0.024 0.000 1.320 296 I CB -1.633 36.384 38.000 0.028 0.000 1.028 296 I HN 0.558 nan 8.210 nan 0.000 0.406 297 Q N 0.107 119.930 119.800 0.038 0.000 2.173 297 Q HA -0.267 4.074 4.340 0.001 0.000 0.208 297 Q C 2.287 178.316 176.000 0.048 0.000 0.989 297 Q CA 2.121 57.951 55.803 0.046 0.000 0.872 297 Q CB -0.123 28.648 28.738 0.055 0.000 0.909 297 Q HN 0.477 nan 8.270 nan 0.000 0.420 298 L N -0.724 120.529 121.223 0.049 0.000 2.084 298 L HA -0.077 4.264 4.340 0.001 0.000 0.202 298 L C 1.963 178.871 176.870 0.064 0.000 1.074 298 L CA 1.334 56.196 54.840 0.036 0.000 0.757 298 L CB -0.211 41.844 42.059 -0.006 0.000 0.918 298 L HN 0.239 nan 8.230 nan 0.000 0.444 299 M N -0.896 118.729 119.600 0.041 0.000 2.394 299 M HA -0.083 4.398 4.480 0.001 0.000 0.264 299 M C 2.002 178.367 176.300 0.107 0.000 1.073 299 M CA 1.111 56.453 55.300 0.070 0.000 1.111 299 M CB -1.145 31.443 32.600 -0.021 0.000 1.401 299 M HN 0.417 nan 8.290 nan 0.000 0.448 300 E N 0.417 120.663 120.200 0.077 0.000 2.299 300 E HA -0.129 4.222 4.350 0.001 0.000 0.193 300 E C 1.710 178.355 176.600 0.075 0.000 0.998 300 E CA 0.450 56.894 56.400 0.073 0.000 0.851 300 E CB 0.147 29.879 29.700 0.054 0.000 0.795 300 E HN 0.512 nan 8.360 nan 0.000 0.492 301 N N 0.334 119.079 118.700 0.076 0.000 2.171 301 N HA -0.117 4.623 4.740 0.001 0.000 0.184 301 N C 1.249 176.813 175.510 0.091 0.000 1.021 301 N CA 1.178 54.270 53.050 0.070 0.000 0.854 301 N CB 0.178 38.699 38.487 0.056 0.000 0.994 301 N HN 0.114 nan 8.380 nan 0.000 0.426 302 I N -2.167 118.485 120.570 0.138 0.000 3.889 302 I HA 0.381 4.552 4.170 0.001 0.000 0.332 302 I C -0.566 175.708 176.117 0.262 0.000 1.493 302 I CA -0.612 60.799 61.300 0.185 0.000 1.158 302 I CB -0.334 37.803 38.000 0.229 0.000 1.117 302 I HN -0.147 nan 8.210 nan 0.000 0.411 303 K N 0.953 121.465 120.400 0.187 0.000 3.730 303 K HA -0.283 4.037 4.320 0.001 0.000 0.276 303 K C -0.201 176.529 176.600 0.217 0.000 0.904 303 K CA 0.614 57.001 56.287 0.167 0.000 0.741 303 K CB -1.868 30.705 32.500 0.122 0.000 1.542 303 K HN 0.622 nan 8.250 nan 0.000 0.446 304 Y N 0.066 120.357 120.300 -0.014 0.000 2.457 304 Y HA 0.220 4.770 4.550 0.001 0.000 0.341 304 Y C 0.555 176.308 175.900 -0.245 0.000 1.240 304 Y CA -0.272 57.618 58.100 -0.349 0.000 1.437 304 Y CB 0.743 39.053 38.460 -0.251 0.000 1.328 304 Y HN 0.037 nan 8.280 nan 0.000 0.588 305 V N 5.486 124.791 119.914 -1.016 0.000 2.680 305 V HA 0.341 4.462 4.120 0.001 0.000 0.309 305 V C -0.037 175.677 176.094 -0.632 0.000 1.052 305 V CA -0.916 61.024 62.300 -0.600 0.000 0.908 305 V CB 1.169 32.667 31.823 -0.542 0.000 1.001 305 V HN 1.159 nan 8.190 nan 0.000 0.431 306 N N 0.793 119.359 118.700 -0.224 0.000 1.476 306 N HA -0.155 4.585 4.740 0.001 0.000 0.130 306 N C -0.103 175.462 175.510 0.092 0.000 0.863 306 N CA 0.966 53.964 53.050 -0.088 0.000 0.896 306 N CB -0.557 37.858 38.487 -0.121 0.000 1.018 306 N HN 1.298 nan 8.380 nan 0.000 0.624 307 A N -0.151 122.743 122.820 0.123 0.000 2.260 307 A HA 0.693 5.014 4.320 0.001 0.000 0.314 307 A C 0.400 178.158 177.584 0.290 0.000 1.257 307 A CA 0.566 52.711 52.037 0.180 0.000 0.871 307 A CB 0.728 19.776 19.000 0.079 0.000 1.166 307 A HN 0.851 nan 8.150 nan 0.000 0.522 308 G N 0.116 109.041 108.800 0.208 0.000 2.708 308 G HA2 0.672 4.633 3.960 0.001 0.000 0.289 308 G HA3 0.672 4.633 3.960 0.001 0.000 0.289 308 G C -1.101 173.713 174.900 -0.143 0.000 1.416 308 G CA -0.480 44.600 45.100 -0.032 0.000 0.829 308 G HN 0.704 nan 8.290 nan 0.000 0.480 309 T N 0.206 114.639 114.554 -0.200 0.000 2.991 309 T HA 0.451 4.801 4.350 0.001 0.000 0.303 309 T C -0.613 173.947 174.700 -0.233 0.000 1.015 309 T CA -0.313 61.694 62.100 -0.155 0.000 1.007 309 T CB 1.624 70.445 68.868 -0.078 0.000 1.034 309 T HN 0.537 nan 8.240 nan 0.000 0.446 310 V N 3.465 123.259 119.914 -0.200 0.000 2.368 310 V HA 0.372 4.493 4.120 0.001 0.000 0.266 310 V C 0.462 176.315 176.094 -0.401 0.000 1.045 310 V CA -0.661 61.465 62.300 -0.291 0.000 0.899 310 V CB 0.713 32.454 31.823 -0.136 0.000 1.006 310 V HN 0.807 nan 8.190 nan 0.000 0.470 311 E N 3.504 123.349 120.200 -0.592 0.000 2.277 311 E HA 0.682 5.033 4.350 0.001 0.000 0.274 311 E C -1.391 174.743 176.600 -0.777 0.000 1.022 311 E CA -0.355 55.776 56.400 -0.448 0.000 0.853 311 E CB 1.732 31.269 29.700 -0.272 0.000 1.086 311 E HN 0.578 nan 8.360 nan 0.000 0.397 312 F N 1.279 121.141 119.950 -0.147 0.000 2.601 312 F HA 0.349 4.877 4.527 0.001 0.000 0.309 312 F C -0.720 174.992 175.800 -0.147 0.000 1.089 312 F CA -0.978 56.965 58.000 -0.095 0.000 0.940 312 F CB 1.160 40.141 39.000 -0.030 0.000 1.273 312 F HN 0.224 nan 8.300 nan 0.000 0.450 313 L N 2.619 123.945 121.223 0.170 0.000 2.307 313 L HA 0.781 5.121 4.340 0.001 0.000 0.282 313 L C -0.940 176.050 176.870 0.200 0.000 1.051 313 L CA -0.503 54.413 54.840 0.126 0.000 0.804 313 L CB 1.628 43.787 42.059 0.167 0.000 1.197 313 L HN 0.364 nan 8.230 nan 0.000 0.431 314 V N 3.160 123.146 119.914 0.121 0.000 2.531 314 V HA 0.733 4.854 4.120 0.001 0.000 0.301 314 V C -0.298 175.836 176.094 0.067 0.000 1.034 314 V CA -0.429 61.915 62.300 0.073 0.000 0.865 314 V CB 1.461 33.295 31.823 0.017 0.000 0.995 314 V HN 0.799 nan 8.190 nan 0.000 0.424 318 D N 1.230 121.618 120.400 -0.020 0.000 2.340 318 D HA 0.138 4.778 4.640 0.001 0.000 0.220 318 D C -0.088 176.168 176.300 -0.072 0.000 1.039 318 D CA 0.427 54.411 54.000 -0.025 0.000 0.866 318 D CB 0.480 41.263 40.800 -0.028 0.000 0.913 318 D HN 0.203 nan 8.370 nan 0.000 0.523 319 E N 0.656 120.786 120.200 -0.118 0.000 2.266 319 E HA 0.325 4.676 4.350 0.001 0.000 0.277 319 E C -0.199 176.161 176.600 -0.401 0.000 1.018 319 E CA -0.404 55.792 56.400 -0.339 0.000 0.840 319 E CB 1.382 30.963 29.700 -0.197 0.000 1.082 319 E HN 0.021 nan 8.360 nan 0.000 0.395 320 F N 0.214 119.666 119.950 -0.829 0.000 2.619 320 F HA 0.700 5.228 4.527 0.001 0.000 0.308 320 F C -1.524 173.751 175.800 -0.874 0.000 1.097 320 F CA -1.351 56.220 58.000 -0.716 0.000 0.953 320 F CB 1.020 39.767 39.000 -0.423 0.000 1.287 320 F HN 0.197 nan 8.300 nan 0.000 0.446 321 F N 2.277 122.476 119.950 0.414 0.000 2.601 321 F HA 0.462 4.990 4.527 0.001 0.000 0.309 321 F C -0.779 175.329 175.800 0.513 0.000 1.089 321 F CA -1.197 57.024 58.000 0.368 0.000 0.940 321 F CB 1.920 41.018 39.000 0.163 0.000 1.273 321 F HN 0.689 nan 8.300 nan 0.000 0.450 322 F N 3.476 123.690 119.950 0.440 0.000 2.529 322 F HA 0.276 4.804 4.527 0.001 0.000 0.365 322 F C 0.181 175.971 175.800 -0.016 0.000 1.102 322 F CA -0.025 57.996 58.000 0.035 0.000 1.271 322 F CB 0.454 39.468 39.000 0.022 0.000 1.120 322 F HN 0.312 nan 8.300 nan 0.000 0.579 323 I N 2.877 122.906 120.570 -0.902 0.000 3.393 323 I HA 0.154 4.325 4.170 0.001 0.000 0.250 323 I C 0.168 175.701 176.117 -0.973 0.000 1.122 323 I CA 0.721 61.617 61.300 -0.673 0.000 1.484 323 I CB -0.762 36.978 38.000 -0.434 0.000 1.468 323 I HN 0.711 nan 8.210 nan 0.000 0.461 324 E N -0.052 119.438 120.200 -1.183 0.000 2.447 324 E HA 0.518 4.868 4.350 0.001 0.000 0.279 324 E C -1.742 174.446 176.600 -0.687 0.000 1.053 324 E CA -0.617 55.314 56.400 -0.782 0.000 0.840 324 E CB 2.598 32.110 29.700 -0.312 0.000 1.409 324 E HN -0.180 nan 8.360 nan 0.000 0.461 325 V N 1.541 121.207 119.914 -0.414 0.000 2.628 325 V HA 0.380 4.501 4.120 0.001 0.000 0.306 325 V C -0.790 175.168 176.094 -0.227 0.000 1.045 325 V CA -1.005 61.015 62.300 -0.467 0.000 0.905 325 V CB 1.734 32.915 31.823 -1.069 0.000 0.997 325 V HN 0.598 nan 8.190 nan 0.000 0.436 326 N N 5.711 124.311 118.700 -0.167 0.000 2.699 326 N HA 0.279 5.020 4.740 0.001 0.000 0.232 326 N C -2.277 173.255 175.510 0.037 0.000 1.027 326 N CA -1.329 51.702 53.050 -0.031 0.000 0.920 326 N CB 1.676 40.146 38.487 -0.029 0.000 1.148 326 N HN 0.439 nan 8.380 nan 0.000 0.509 327 P HA -0.018 nan 4.420 nan 0.000 0.271 327 P C -0.482 176.994 177.300 0.293 0.000 1.535 327 P CA 0.313 63.595 63.100 0.304 0.000 0.820 327 P CB 0.094 32.041 31.700 0.413 0.000 1.606 328 R N -2.696 117.925 120.500 0.201 0.000 2.826 328 R HA 0.418 4.759 4.340 0.001 0.000 0.269 328 R C -0.743 175.644 176.300 0.144 0.000 1.031 328 R CA -1.178 55.022 56.100 0.166 0.000 0.900 328 R CB -0.684 29.726 30.300 0.183 0.000 1.318 328 R HN -0.265 nan 8.270 nan 0.000 0.447 329 V N 0.367 120.371 119.914 0.150 0.000 3.061 329 V HA 0.121 4.241 4.120 0.001 0.000 0.306 329 V C 0.091 176.317 176.094 0.220 0.000 1.118 329 V CA 0.005 62.409 62.300 0.173 0.000 1.231 329 V CB -0.088 31.851 31.823 0.194 0.000 0.956 329 V HN 0.567 nan 8.190 nan 0.000 0.499 330 Q N 0.433 120.355 119.800 0.203 0.000 2.377 330 Q HA 0.433 4.774 4.340 0.001 0.000 0.271 330 Q C 0.978 177.053 176.000 0.125 0.000 1.077 330 Q CA -0.570 55.291 55.803 0.097 0.000 0.820 330 Q CB 2.167 30.922 28.738 0.028 0.000 1.347 330 Q HN 0.687 nan 8.270 nan 0.000 0.444 331 V N -0.461 119.347 119.914 -0.177 0.000 2.317 331 V HA -0.267 3.853 4.120 0.001 0.000 0.251 331 V C 1.249 177.256 176.094 -0.145 0.000 1.065 331 V CA 2.048 64.239 62.300 -0.182 0.000 1.049 331 V CB -0.694 30.902 31.823 -0.378 0.000 0.651 331 V HN 0.905 nan 8.190 nan 0.000 0.450 332 E N 2.195 122.328 120.200 -0.112 0.000 2.296 332 E HA -0.104 4.247 4.350 0.001 0.000 0.196 332 E C 1.535 178.102 176.600 -0.055 0.000 1.143 332 E CA 0.414 56.753 56.400 -0.102 0.000 1.145 332 E CB -1.410 28.251 29.700 -0.065 0.000 1.215 332 E HN 0.958 nan 8.360 nan 0.000 0.447 333 H N -1.006 118.071 119.070 0.013 0.000 2.546 333 H HA 0.091 4.648 4.556 0.001 0.000 0.277 333 H C 0.575 175.913 175.328 0.017 0.000 1.004 333 H CA 0.969 57.032 56.048 0.026 0.000 1.231 333 H CB -0.036 29.756 29.762 0.050 0.000 1.382 333 H HN 0.008 nan 8.280 nan 0.000 0.580 334 T N 2.479 116.862 114.554 -0.284 0.000 2.812 334 T HA -0.017 4.334 4.350 0.001 0.000 0.264 334 T C 2.300 176.960 174.700 -0.067 0.000 1.042 334 T CA 1.402 63.377 62.100 -0.207 0.000 1.140 334 T CB -0.138 68.562 68.868 -0.279 0.000 0.870 334 T HN 0.566 nan 8.240 nan 0.000 0.445 335 I N -0.217 120.316 120.570 -0.062 0.000 2.353 335 I HA -0.056 4.114 4.170 0.001 0.000 0.248 335 I C 2.331 178.406 176.117 -0.070 0.000 1.119 335 I CA 1.119 62.383 61.300 -0.060 0.000 1.417 335 I CB -1.348 36.636 38.000 -0.027 0.000 1.078 335 I HN 0.035 nan 8.210 nan 0.000 0.421 336 T N 0.971 115.515 114.554 -0.017 0.000 2.881 336 T HA -0.132 4.219 4.350 0.001 0.000 0.270 336 T C 1.718 176.424 174.700 0.009 0.000 1.068 336 T CA 1.695 63.802 62.100 0.012 0.000 1.131 336 T CB -0.279 68.625 68.868 0.060 0.000 0.871 336 T HN 0.515 nan 8.240 nan 0.000 0.479 337 E N 0.667 120.878 120.200 0.018 0.000 2.072 337 E HA 0.015 4.366 4.350 0.001 0.000 0.190 337 E C 2.245 178.818 176.600 -0.045 0.000 0.982 337 E CA 0.881 57.293 56.400 0.021 0.000 0.803 337 E CB -0.129 29.616 29.700 0.075 0.000 0.755 337 E HN 0.509 nan 8.360 nan 0.000 0.453 338 M N 0.657 120.185 119.600 -0.119 0.000 2.200 338 M HA -0.104 4.376 4.480 0.001 0.000 0.265 338 M C 2.552 178.590 176.300 -0.436 0.000 1.066 338 M CA 1.076 56.223 55.300 -0.255 0.000 1.127 338 M CB -0.218 32.184 32.600 -0.330 0.000 1.379 338 M HN 0.111 nan 8.290 nan 0.000 0.420 339 V N -2.706 116.980 119.914 -0.381 0.000 2.878 339 V HA -0.041 4.080 4.120 0.001 0.000 0.250 339 V C 2.222 178.264 176.094 -0.087 0.000 1.075 339 V CA 1.644 63.771 62.300 -0.288 0.000 1.096 339 V CB -1.431 30.251 31.823 -0.235 0.000 0.724 339 V HN 0.533 nan 8.190 nan 0.000 0.467 340 T N -3.036 111.496 114.554 -0.036 0.000 3.010 340 T HA 0.403 4.754 4.350 0.001 0.000 0.252 340 T C 1.808 176.522 174.700 0.023 0.000 1.047 340 T CA 1.281 63.401 62.100 0.034 0.000 1.140 340 T CB 0.251 69.164 68.868 0.076 0.000 0.885 340 T HN 1.610 nan 8.240 nan 0.000 0.464 341 G N 1.094 109.896 108.800 0.004 0.000 2.141 341 G HA2 -0.140 3.821 3.960 0.001 0.000 0.231 341 G HA3 -0.140 3.821 3.960 0.001 0.000 0.231 341 G C -0.176 174.738 174.900 0.022 0.000 0.984 341 G CA -0.065 45.045 45.100 0.016 0.000 0.660 341 G HN 0.612 nan 8.290 nan 0.000 0.525 342 I N 1.376 121.959 120.570 0.022 0.000 2.353 342 I HA 0.365 4.536 4.170 0.001 0.000 0.293 342 I C -0.072 176.063 176.117 0.030 0.000 0.992 342 I CA -0.780 60.533 61.300 0.023 0.000 1.268 342 I CB 1.539 39.551 38.000 0.019 0.000 1.387 342 I HN 0.052 nan 8.210 nan 0.000 0.478 343 D N 6.830 127.246 120.400 0.026 0.000 2.393 343 D HA 0.215 4.855 4.640 0.001 0.000 0.232 343 D C 1.092 177.400 176.300 0.013 0.000 1.192 343 D CA 0.096 54.112 54.000 0.027 0.000 0.882 343 D CB 0.660 41.474 40.800 0.024 0.000 1.038 343 D HN 0.402 nan 8.370 nan 0.000 0.499 344 I N 2.745 123.321 120.570 0.010 0.000 2.076 344 I HA -0.289 3.882 4.170 0.001 0.000 0.237 344 I C 2.344 178.435 176.117 -0.043 0.000 1.059 344 I CA 0.674 61.965 61.300 -0.016 0.000 1.317 344 I CB -0.153 37.834 38.000 -0.022 0.000 1.037 344 I HN 0.274 nan 8.210 nan 0.000 0.398 345 V N 1.198 121.051 119.914 -0.102 0.000 2.255 345 V HA -0.344 3.776 4.120 0.001 0.000 0.247 345 V C 2.580 178.667 176.094 -0.012 0.000 1.051 345 V CA 2.413 64.670 62.300 -0.071 0.000 1.018 345 V CB -0.769 30.963 31.823 -0.151 0.000 0.641 345 V HN 0.444 nan 8.190 nan 0.000 0.445 346 K N -0.238 120.156 120.400 -0.010 0.000 2.044 346 K HA -0.230 4.090 4.320 0.001 0.000 0.210 346 K C 2.145 178.753 176.600 0.013 0.000 1.049 346 K CA 2.319 58.611 56.287 0.009 0.000 0.927 346 K CB -0.552 31.956 32.500 0.014 0.000 0.713 346 K HN 0.478 nan 8.250 nan 0.000 0.443 347 T N 0.927 115.487 114.554 0.010 0.000 2.684 347 T HA -0.249 4.101 4.350 0.001 0.000 0.267 347 T C 1.765 176.471 174.700 0.010 0.000 1.036 347 T CA 1.761 63.868 62.100 0.012 0.000 1.148 347 T CB -0.313 68.561 68.868 0.011 0.000 0.863 347 T HN 0.463 nan 8.240 nan 0.000 0.436 348 Q N 0.329 120.131 119.800 0.004 0.000 2.029 348 Q HA -0.183 4.158 4.340 0.001 0.000 0.209 348 Q C 2.273 178.266 176.000 -0.012 0.000 0.999 348 Q CA 1.960 57.758 55.803 -0.008 0.000 0.857 348 Q CB -0.430 28.307 28.738 -0.002 0.000 0.926 348 Q HN 0.539 nan 8.270 nan 0.000 0.415 349 I N 0.302 120.882 120.570 0.016 0.000 2.163 349 I HA -0.328 3.843 4.170 0.001 0.000 0.243 349 I C 2.304 178.431 176.117 0.017 0.000 1.085 349 I CA 1.065 62.379 61.300 0.024 0.000 1.347 349 I CB -0.184 37.845 38.000 0.049 0.000 1.044 349 I HN 0.314 nan 8.210 nan 0.000 0.408 350 L N -0.464 120.771 121.223 0.020 0.000 2.046 350 L HA -0.218 4.122 4.340 0.001 0.000 0.208 350 L C 2.574 179.463 176.870 0.031 0.000 1.077 350 L CA 0.995 55.850 54.840 0.026 0.000 0.747 350 L CB -0.556 41.517 42.059 0.025 0.000 0.896 350 L HN 0.075 nan 8.230 nan 0.000 0.432 351 V N 0.109 120.039 119.914 0.025 0.000 2.332 351 V HA -0.332 3.789 4.120 0.001 0.000 0.248 351 V C 2.635 178.744 176.094 0.025 0.000 1.055 351 V CA 1.937 64.256 62.300 0.031 0.000 1.038 351 V CB -0.682 31.148 31.823 0.012 0.000 0.651 351 V HN 0.516 nan 8.190 nan 0.000 0.450 352 A N -0.630 122.192 122.820 0.004 0.000 2.066 352 A HA 0.146 4.466 4.320 0.001 0.000 0.218 352 A C 2.081 179.674 177.584 0.016 0.000 1.157 352 A CA 1.329 53.366 52.037 -0.001 0.000 0.670 352 A CB -0.383 18.596 19.000 -0.036 0.000 0.804 352 A HN 0.586 nan 8.150 nan 0.000 0.453 353 A N -0.801 122.035 122.820 0.025 0.000 2.302 353 A HA 0.458 4.778 4.320 0.001 0.000 0.219 353 A C 1.315 178.931 177.584 0.054 0.000 1.243 353 A CA 0.652 52.710 52.037 0.034 0.000 0.856 353 A CB -1.216 17.803 19.000 0.033 0.000 0.893 353 A HN 1.841 nan 8.150 nan 0.000 0.491 354 G N -0.754 108.086 108.800 0.067 0.000 2.460 354 G HA2 0.263 4.223 3.960 0.001 0.000 0.259 354 G HA3 0.263 4.223 3.960 0.001 0.000 0.259 354 G C -0.075 174.953 174.900 0.214 0.000 0.959 354 G CA 0.274 45.447 45.100 0.121 0.000 1.330 354 G HN 1.752 nan 8.290 nan 0.000 0.451 355 A N 2.079 125.024 122.820 0.208 0.000 2.381 355 A HA 0.730 5.050 4.320 0.001 0.000 0.299 355 A C 0.612 178.232 177.584 0.060 0.000 1.049 355 A CA 0.383 52.485 52.037 0.109 0.000 0.715 355 A CB 1.326 20.356 19.000 0.051 0.000 1.222 355 A HN 0.461 nan 8.150 nan 0.000 0.428 356 D N 1.694 121.987 120.400 -0.178 0.000 1.740 356 D HA 0.274 4.914 4.640 0.001 0.000 0.295 356 D C 1.175 177.446 176.300 -0.048 0.000 1.251 356 D CA 2.576 56.458 54.000 -0.197 0.000 1.068 356 D CB -0.075 40.538 40.800 -0.310 0.000 1.835 356 D HN 1.584 nan 8.370 nan 0.000 0.619 357 G N -1.008 107.771 108.800 -0.035 0.000 2.342 357 G HA2 -0.142 3.819 3.960 0.001 0.000 0.220 357 G HA3 -0.142 3.819 3.960 0.001 0.000 0.220 357 G C 0.404 175.290 174.900 -0.023 0.000 1.243 357 G CA 0.336 45.412 45.100 -0.040 0.000 1.083 357 G HN 0.308 nan 8.290 nan 0.000 0.500 358 E N 0.374 120.562 120.200 -0.021 0.000 2.170 358 E HA -0.006 4.345 4.350 0.001 0.000 0.191 358 E C 2.242 178.840 176.600 -0.004 0.000 0.981 358 E CA 1.360 57.754 56.400 -0.010 0.000 0.830 358 E CB 0.072 29.767 29.700 -0.009 0.000 0.775 358 E HN 0.695 nan 8.360 nan 0.000 0.470 359 E N 0.760 120.958 120.200 -0.003 0.000 2.016 359 E HA -0.078 4.273 4.350 0.001 0.000 0.190 359 E C 2.258 178.863 176.600 0.008 0.000 0.985 359 E CA 0.792 57.195 56.400 0.005 0.000 0.802 359 E CB -0.042 29.664 29.700 0.010 0.000 0.762 359 E HN 0.191 nan 8.360 nan 0.000 0.448 360 I N 0.462 121.035 120.570 0.006 0.000 2.339 360 I HA -0.098 4.073 4.170 0.001 0.000 0.245 360 I C 0.161 176.280 176.117 0.004 0.000 1.096 360 I CA 0.095 61.400 61.300 0.008 0.000 1.408 360 I CB -0.179 37.828 38.000 0.011 0.000 1.092 360 I HN 0.072 nan 8.210 nan 0.000 0.423 361 N N 1.150 119.849 118.700 -0.001 0.000 3.541 361 N HA -0.121 4.620 4.740 0.001 0.000 0.292 361 N C -2.718 172.791 175.510 -0.003 0.000 1.964 361 N CA 0.169 53.217 53.050 -0.003 0.000 2.344 361 N CB -0.220 38.267 38.487 0.001 0.000 0.672 361 N HN 0.078 nan 8.380 nan 0.000 0.620 362 P HA 0.389 nan 4.420 nan 0.000 0.298 362 P C -0.890 176.385 177.300 -0.042 0.000 1.341 362 P CA -0.801 62.283 63.100 -0.025 0.000 0.988 362 P CB 1.054 32.741 31.700 -0.023 0.000 1.265 363 Q N 1.051 120.828 119.800 -0.038 0.000 2.432 363 Q HA -0.036 4.304 4.340 0.001 0.000 0.264 363 Q C 1.076 177.030 176.000 -0.078 0.000 1.035 363 Q CA 0.264 56.038 55.803 -0.048 0.000 0.908 363 Q CB 0.720 29.438 28.738 -0.033 0.000 1.280 363 Q HN 0.417 nan 8.270 nan 0.000 0.455 364 Q N 2.423 122.161 119.800 -0.104 0.000 2.077 364 Q HA -0.236 4.105 4.340 0.001 0.000 0.206 364 Q C 1.636 177.562 176.000 -0.123 0.000 0.989 364 Q CA 2.479 58.179 55.803 -0.172 0.000 0.853 364 Q CB -0.105 28.529 28.738 -0.173 0.000 0.907 364 Q HN 0.665 nan 8.270 nan 0.000 0.418 365 K N -0.843 119.517 120.400 -0.066 0.000 2.362 365 K HA -0.165 4.156 4.320 0.001 0.000 0.202 365 K C 0.423 177.014 176.600 -0.015 0.000 1.045 365 K CA 1.764 58.033 56.287 -0.031 0.000 0.936 365 K CB 0.040 32.530 32.500 -0.017 0.000 0.747 365 K HN 0.187 nan 8.250 nan 0.000 0.467 366 D N 0.468 120.853 120.400 -0.025 0.000 2.449 366 D HA 0.153 4.794 4.640 0.001 0.000 0.210 366 D C 0.392 176.694 176.300 0.005 0.000 1.094 366 D CA -0.088 53.909 54.000 -0.005 0.000 0.846 366 D CB 0.348 41.144 40.800 -0.007 0.000 1.003 366 D HN 0.194 nan 8.370 nan 0.000 0.504 367 I N 2.810 123.366 120.570 -0.023 0.000 2.581 367 I HA -0.029 4.141 4.170 0.001 0.000 0.285 367 I C 1.009 177.215 176.117 0.149 0.000 1.129 367 I CA 0.464 61.766 61.300 0.003 0.000 1.397 367 I CB 0.423 38.337 38.000 -0.144 0.000 1.399 367 I HN -0.082 nan 8.210 nan 0.000 0.537 368 T N 1.498 116.154 114.554 0.170 0.000 2.919 368 T HA 0.550 4.901 4.350 0.001 0.000 0.282 368 T C -0.132 174.650 174.700 0.138 0.000 1.020 368 T CA -0.785 61.417 62.100 0.171 0.000 0.994 368 T CB 1.850 70.757 68.868 0.064 0.000 1.180 368 T HN 0.423 nan 8.240 nan 0.000 0.566 369 T N 1.619 116.111 114.554 -0.103 0.000 2.809 369 T HA 0.548 4.898 4.350 0.001 0.000 0.284 369 T C -0.825 173.802 174.700 -0.121 0.000 0.992 369 T CA -0.608 61.366 62.100 -0.211 0.000 0.957 369 T CB 0.884 69.429 68.868 -0.537 0.000 0.942 369 T HN 0.694 nan 8.240 nan 0.000 0.439 370 L N 3.685 124.896 121.223 -0.021 0.000 2.287 370 L HA 0.679 5.020 4.340 0.001 0.000 0.287 370 L C 0.716 177.687 176.870 0.169 0.000 1.022 370 L CA 0.562 55.437 54.840 0.057 0.000 0.814 370 L CB 0.069 42.191 42.059 0.106 0.000 1.217 370 L HN 0.957 nan 8.230 nan 0.000 0.420 371 G N 2.749 111.616 108.800 0.112 0.000 2.562 371 G HA2 -0.296 3.665 3.960 0.001 0.000 0.250 371 G HA3 -0.296 3.665 3.960 0.001 0.000 0.250 371 G C -1.263 173.764 174.900 0.212 0.000 1.269 371 G CA 0.213 45.444 45.100 0.218 0.000 0.919 371 G HN 0.660 nan 8.290 nan 0.000 0.574 372 Y N -0.205 120.221 120.300 0.210 0.000 2.553 372 Y HA 0.712 5.263 4.550 0.001 0.000 0.347 372 Y C 0.628 176.712 175.900 0.305 0.000 1.019 372 Y CA -0.025 58.172 58.100 0.162 0.000 1.032 372 Y CB 2.241 40.763 38.460 0.103 0.000 1.284 372 Y HN 1.343 nan 8.280 nan 0.000 0.466 373 A N 2.731 125.727 122.820 0.294 0.000 2.435 373 A HA 0.924 5.244 4.320 0.001 0.000 0.304 373 A C -1.472 176.227 177.584 0.192 0.000 1.064 373 A CA -0.662 51.502 52.037 0.211 0.000 0.727 373 A CB 1.016 20.026 19.000 0.017 0.000 1.284 373 A HN 0.645 nan 8.150 nan 0.000 0.415 374 I N 0.517 121.200 120.570 0.189 0.000 2.608 374 I HA 0.518 4.688 4.170 0.001 0.000 0.295 374 I C -0.238 175.944 176.117 0.109 0.000 1.049 374 I CA -0.550 60.868 61.300 0.198 0.000 1.063 374 I CB 2.237 40.407 38.000 0.283 0.000 1.248 374 I HN 0.798 nan 8.210 nan 0.000 0.424 375 Q N 4.133 123.982 119.800 0.082 0.000 2.342 375 Q HA 0.637 4.977 4.340 0.001 0.000 0.267 375 Q C -1.798 174.218 176.000 0.027 0.000 1.038 375 Q CA -0.457 55.366 55.803 0.033 0.000 0.832 375 Q CB 2.127 30.863 28.738 -0.004 0.000 1.323 375 Q HN 0.811 nan 8.270 nan 0.000 0.448 376 C N 2.995 122.304 119.300 0.014 0.000 2.498 376 C HA 0.563 5.023 4.460 0.001 0.000 0.316 376 C C -0.546 174.453 174.990 0.015 0.000 1.209 376 C CA -0.722 58.302 59.018 0.010 0.000 1.518 376 C CB 1.324 29.065 27.740 0.001 0.000 2.147 376 C HN 0.861 nan 8.230 nan 0.000 0.483 377 R N 2.359 122.873 120.500 0.023 0.000 2.215 377 R HA 0.481 4.822 4.340 0.001 0.000 0.337 377 R C -0.703 175.626 176.300 0.049 0.000 1.010 377 R CA -0.151 55.968 56.100 0.032 0.000 0.871 377 R CB 0.569 30.883 30.300 0.023 0.000 1.134 377 R HN 0.676 nan 8.270 nan 0.000 0.477 378 I N 3.948 124.548 120.570 0.051 0.000 2.436 378 I HA 0.048 4.219 4.170 0.001 0.000 0.289 378 I C 0.707 176.863 176.117 0.065 0.000 1.083 378 I CA 0.450 61.781 61.300 0.052 0.000 1.372 378 I CB 0.625 38.652 38.000 0.045 0.000 1.408 378 I HN 0.630 nan 8.210 nan 0.000 0.516 379 T N 0.109 114.696 114.554 0.055 0.000 2.888 379 T HA 0.334 4.684 4.350 0.001 0.000 0.288 379 T C 0.632 175.349 174.700 0.027 0.000 1.063 379 T CA -0.511 61.623 62.100 0.056 0.000 1.010 379 T CB 1.716 70.626 68.868 0.070 0.000 1.214 379 T HN 0.559 nan 8.240 nan 0.000 0.533 380 T N -2.151 112.418 114.554 0.025 0.000 3.122 380 T HA 0.180 4.530 4.350 0.001 0.000 0.250 380 T C 0.392 175.070 174.700 -0.036 0.000 1.067 380 T CA -0.527 61.571 62.100 -0.004 0.000 0.966 380 T CB -0.669 68.204 68.868 0.008 0.000 1.002 380 T HN 0.825 nan 8.240 nan 0.000 0.542 381 E N 1.647 121.829 120.200 -0.030 0.000 2.366 381 E HA 0.121 4.472 4.350 0.001 0.000 0.266 381 E C -0.790 175.632 176.600 -0.297 0.000 1.015 381 E CA -0.692 55.666 56.400 -0.069 0.000 0.906 381 E CB 0.462 30.234 29.700 0.120 0.000 0.979 381 E HN 0.074 nan 8.360 nan 0.000 0.443 382 D N 4.515 124.748 120.400 -0.279 0.000 2.338 382 D HA 0.078 4.718 4.640 0.001 0.000 0.255 382 D C -1.696 174.262 176.300 -0.571 0.000 1.237 382 D CA -2.640 51.168 54.000 -0.320 0.000 0.883 382 D CB 1.348 42.053 40.800 -0.159 0.000 1.087 382 D HN 0.230 nan 8.370 nan 0.000 0.485 383 P HA -0.037 nan 4.420 nan 0.000 0.225 383 P C 1.054 178.293 177.300 -0.101 0.000 1.148 383 P CA 0.358 63.037 63.100 -0.701 0.000 0.779 383 P CB 0.404 31.843 31.700 -0.434 0.000 0.780 384 L N -1.212 119.953 121.223 -0.095 0.000 2.700 384 L HA 0.230 4.571 4.340 0.001 0.000 0.234 384 L C 0.603 177.459 176.870 -0.023 0.000 1.156 384 L CA 0.780 55.618 54.840 -0.004 0.000 0.946 384 L CB -0.428 41.627 42.059 -0.008 0.000 1.216 384 L HN -0.010 nan 8.230 nan 0.000 0.493 385 N N 0.249 118.924 118.700 -0.042 0.000 2.453 385 N HA 0.016 4.756 4.740 0.001 0.000 0.267 385 N C -0.412 175.104 175.510 0.010 0.000 1.482 385 N CA -0.095 52.940 53.050 -0.025 0.000 0.841 385 N CB 0.435 38.897 38.487 -0.040 0.000 1.408 385 N HN -0.030 nan 8.380 nan 0.000 0.490 386 D N 0.893 121.329 120.400 0.059 0.000 2.689 386 D HA -0.244 4.396 4.640 0.001 0.000 0.237 386 D C -0.508 175.951 176.300 0.264 0.000 1.148 386 D CA 0.770 54.867 54.000 0.163 0.000 0.656 386 D CB -1.125 39.715 40.800 0.067 0.000 1.050 386 D HN 0.502 nan 8.370 nan 0.000 0.426 387 F N -2.957 116.968 119.950 -0.040 0.000 3.084 387 F HA -0.322 4.205 4.527 0.001 0.000 0.286 387 F C 1.336 177.113 175.800 -0.037 0.000 0.855 387 F CA 0.467 58.436 58.000 -0.053 0.000 1.091 387 F CB -1.587 37.370 39.000 -0.073 0.000 1.177 387 F HN 0.221 nan 8.300 nan 0.000 0.542 388 M N 2.214 121.845 119.600 0.052 0.000 2.364 388 M HA 0.112 4.592 4.480 0.001 0.000 0.342 388 M C -1.917 174.381 176.300 -0.003 0.000 1.601 388 M CA -1.127 54.187 55.300 0.023 0.000 1.156 388 M CB 0.237 32.838 32.600 0.002 0.000 1.912 388 M HN -0.238 nan 8.290 nan 0.000 0.460 389 P HA 0.023 nan 4.420 nan 0.000 0.263 389 P C -0.755 176.535 177.300 -0.016 0.000 1.247 389 P CA -0.147 62.956 63.100 0.005 0.000 0.876 389 P CB 0.089 31.801 31.700 0.020 0.000 0.928 390 D N 2.146 122.531 120.400 -0.025 0.000 2.362 390 D HA 0.262 4.902 4.640 0.001 0.000 0.238 390 D C -0.033 176.257 176.300 -0.017 0.000 1.212 390 D CA 0.639 54.623 54.000 -0.027 0.000 0.902 390 D CB 0.594 41.375 40.800 -0.032 0.000 1.180 390 D HN 0.158 nan 8.370 nan 0.000 0.445 391 T N -0.724 113.818 114.554 -0.019 0.000 2.843 391 T HA 0.701 5.052 4.350 0.001 0.000 0.302 391 T C -0.451 174.242 174.700 -0.011 0.000 1.232 391 T CA 0.385 62.476 62.100 -0.016 0.000 1.009 391 T CB 0.930 69.777 68.868 -0.035 0.000 1.254 391 T HN 0.729 nan 8.240 nan 0.000 0.504 392 G N 1.072 109.868 108.800 -0.005 0.000 2.293 392 G HA2 0.248 4.209 3.960 0.001 0.000 0.282 392 G HA3 0.248 4.209 3.960 0.001 0.000 0.282 392 G C -0.722 174.177 174.900 -0.002 0.000 1.299 392 G CA -0.035 45.064 45.100 -0.002 0.000 1.018 392 G HN 1.257 nan 8.290 nan 0.000 0.478 393 T N -0.074 114.488 114.554 0.013 0.000 2.753 393 T HA 0.640 4.990 4.350 0.001 0.000 0.297 393 T C 0.548 175.254 174.700 0.009 0.000 0.981 393 T CA -0.433 61.675 62.100 0.014 0.000 0.956 393 T CB 1.055 69.965 68.868 0.070 0.000 0.936 393 T HN 0.638 nan 8.240 nan 0.000 0.463 394 I N 4.583 125.128 120.570 -0.042 0.000 2.494 394 I HA 0.069 4.240 4.170 0.001 0.000 0.289 394 I C 1.344 177.458 176.117 -0.006 0.000 1.106 394 I CA -0.214 61.072 61.300 -0.023 0.000 1.369 394 I CB 0.345 38.313 38.000 -0.053 0.000 1.410 394 I HN 0.704 nan 8.210 nan 0.000 0.523 395 I N 5.446 126.027 120.570 0.018 0.000 2.185 395 I HA 0.016 4.186 4.170 0.001 0.000 0.235 395 I C 1.332 177.466 176.117 0.028 0.000 1.069 395 I CA 0.555 61.860 61.300 0.008 0.000 1.354 395 I CB -0.250 37.748 38.000 -0.003 0.000 1.093 395 I HN 0.562 nan 8.210 nan 0.000 0.411 396 A N -0.117 122.727 122.820 0.041 0.000 2.303 396 A HA 0.532 4.852 4.320 0.001 0.000 0.317 396 A C -1.365 176.299 177.584 0.135 0.000 1.149 396 A CA -0.026 52.050 52.037 0.064 0.000 0.822 396 A CB 0.581 19.596 19.000 0.024 0.000 1.131 396 A HN 0.356 nan 8.150 nan 0.000 0.493 397 Y N 1.512 121.821 120.300 0.015 0.000 2.298 397 Y HA 0.522 5.073 4.550 0.001 0.000 0.322 397 Y C -0.457 175.467 175.900 0.039 0.000 1.138 397 Y CA -0.394 57.721 58.100 0.026 0.000 1.127 397 Y CB 1.106 39.590 38.460 0.039 0.000 1.178 397 Y HN 0.833 nan 8.280 nan 0.000 0.428 398 R N 4.201 124.588 120.500 -0.190 0.000 2.686 398 R HA 0.778 5.119 4.340 0.001 0.000 0.286 398 R C -1.271 174.905 176.300 -0.207 0.000 0.969 398 R CA -0.485 55.562 56.100 -0.089 0.000 0.898 398 R CB 2.199 32.469 30.300 -0.050 0.000 1.183 398 R HN 0.663 nan 8.270 nan 0.000 0.456 399 S N 0.542 116.203 115.700 -0.065 0.000 2.718 399 S HA 0.458 4.929 4.470 0.001 0.000 0.300 399 S C -1.063 173.521 174.600 -0.027 0.000 1.117 399 S CA -0.496 57.676 58.200 -0.046 0.000 1.002 399 S CB 1.675 64.918 63.200 0.072 0.000 1.092 399 S HN 0.577 nan 8.310 nan 0.000 0.542 400 S N 0.205 115.896 115.700 -0.015 0.000 2.472 400 S HA 0.771 5.242 4.470 0.001 0.000 0.303 400 S C 0.173 174.785 174.600 0.021 0.000 1.099 400 S CA -0.293 57.906 58.200 -0.001 0.000 1.077 400 S CB 0.815 64.009 63.200 -0.011 0.000 1.031 400 S HN 0.843 nan 8.310 nan 0.000 0.487 401 G N 1.693 110.510 108.800 0.029 0.000 3.135 401 G HA2 0.805 4.765 3.960 0.001 0.000 0.159 401 G HA3 0.805 4.765 3.960 0.001 0.000 0.159 401 G C 0.368 175.296 174.900 0.047 0.000 1.244 401 G CA -0.414 44.711 45.100 0.041 0.000 0.965 401 G HN 1.750 nan 8.290 nan 0.000 0.599 402 G N -1.838 107.002 108.800 0.066 0.000 2.699 402 G HA2 0.225 4.186 3.960 0.001 0.000 0.686 402 G HA3 0.225 4.186 3.960 0.001 0.000 0.686 402 G C -0.140 174.843 174.900 0.137 0.000 1.301 402 G CA -0.226 44.934 45.100 0.100 0.000 0.816 402 G HN 1.452 nan 8.290 nan 0.000 0.595 403 F N 1.565 121.526 119.950 0.019 0.000 2.568 403 F HA 0.276 4.804 4.527 0.001 0.000 0.394 403 F C 1.777 177.592 175.800 0.026 0.000 1.032 403 F CA 2.088 60.100 58.000 0.020 0.000 1.242 403 F CB 0.324 39.330 39.000 0.009 0.000 0.966 403 F HN 2.357 nan 8.300 nan 0.000 0.560 404 G N 3.616 112.088 108.800 -0.547 0.000 2.184 404 G HA2 -0.264 3.697 3.960 0.001 0.000 0.264 404 G HA3 -0.264 3.697 3.960 0.001 0.000 0.264 404 G C -0.253 174.540 174.900 -0.179 0.000 0.975 404 G CA 0.114 44.892 45.100 -0.536 0.000 0.642 404 G HN 0.797 nan 8.290 nan 0.000 0.536 405 V N 0.848 120.712 119.914 -0.084 0.000 2.612 405 V HA 0.802 4.923 4.120 0.001 0.000 0.301 405 V C 0.584 176.681 176.094 0.005 0.000 1.046 405 V CA -0.471 61.816 62.300 -0.021 0.000 0.946 405 V CB 1.789 33.612 31.823 -0.000 0.000 1.003 405 V HN 0.537 nan 8.190 nan 0.000 0.459 406 R N 3.311 123.820 120.500 0.014 0.000 2.651 406 R HA 0.746 5.087 4.340 0.001 0.000 0.278 406 R C -2.266 174.051 176.300 0.029 0.000 1.010 406 R CA -0.714 55.400 56.100 0.024 0.000 0.896 406 R CB 1.833 32.144 30.300 0.018 0.000 1.211 406 R HN 0.689 nan 8.270 nan 0.000 0.456 407 L N 3.264 124.511 121.223 0.040 0.000 2.409 407 L HA 0.406 4.747 4.340 0.001 0.000 0.272 407 L C -1.315 175.587 176.870 0.054 0.000 0.980 407 L CA -0.927 53.945 54.840 0.052 0.000 0.826 407 L CB 2.398 44.501 42.059 0.072 0.000 1.268 407 L HN 0.563 nan 8.230 nan 0.000 0.407 408 D N 3.479 123.910 120.400 0.052 0.000 2.473 408 D HA 0.371 5.012 4.640 0.001 0.000 0.226 408 D C 0.178 176.521 176.300 0.071 0.000 1.089 408 D CA -0.203 53.831 54.000 0.055 0.000 0.883 408 D CB 1.794 42.620 40.800 0.043 0.000 1.029 408 D HN 0.498 nan 8.370 nan 0.000 0.517 409 A N 1.867 124.731 122.820 0.072 0.000 2.476 409 A HA 0.501 4.822 4.320 0.001 0.000 0.275 409 A C 1.356 178.981 177.584 0.068 0.000 1.133 409 A CA 0.101 52.188 52.037 0.083 0.000 0.797 409 A CB 0.285 19.322 19.000 0.061 0.000 1.081 409 A HN 0.532 nan 8.150 nan 0.000 0.510 410 G N 0.800 109.652 108.800 0.088 0.000 2.542 410 G HA2 0.118 4.078 3.960 0.001 0.000 0.211 410 G HA3 0.118 4.078 3.960 0.001 0.000 0.211 410 G C 0.463 175.421 174.900 0.096 0.000 1.702 410 G CA 0.759 45.907 45.100 0.081 0.000 0.935 410 G HN 0.610 nan 8.290 nan 0.000 0.509 411 D N 0.116 120.582 120.400 0.109 0.000 2.474 411 D HA 0.167 4.808 4.640 0.001 0.000 0.213 411 D C 1.069 177.413 176.300 0.073 0.000 1.120 411 D CA 0.034 54.118 54.000 0.140 0.000 0.836 411 D CB 0.904 41.763 40.800 0.099 0.000 1.019 411 D HN 0.283 nan 8.370 nan 0.000 0.507 412 G N 1.281 110.078 108.800 -0.005 0.000 2.353 412 G HA2 0.485 4.446 3.960 0.001 0.000 0.284 412 G HA3 0.485 4.446 3.960 0.001 0.000 0.284 412 G C -0.539 173.910 174.900 -0.752 0.000 1.172 412 G CA -0.268 44.665 45.100 -0.279 0.000 0.854 412 G HN 0.070 nan 8.290 nan 0.000 0.485 413 F N -0.787 118.699 119.950 -0.773 0.000 2.744 413 F HA 0.415 4.943 4.527 0.001 0.000 0.311 413 F C 0.821 176.492 175.800 -0.215 0.000 1.144 413 F CA -1.227 56.357 58.000 -0.692 0.000 0.938 413 F CB 0.672 39.461 39.000 -0.352 0.000 1.292 413 F HN 0.540 nan 8.300 nan 0.000 0.444 414 Q N 1.368 121.261 119.800 0.154 0.000 2.689 414 Q HA -0.273 4.068 4.340 0.001 0.000 0.242 414 Q C 1.208 177.246 176.000 0.065 0.000 1.516 414 Q CA 2.560 58.472 55.803 0.182 0.000 1.021 414 Q CB -1.225 27.673 28.738 0.266 0.000 0.880 414 Q HN 1.212 nan 8.270 nan 0.000 0.589 415 G N -1.291 107.505 108.800 -0.007 0.000 5.021 415 G HA2 0.571 4.532 3.960 0.001 0.000 0.254 415 G HA3 0.571 4.532 3.960 0.001 0.000 0.254 415 G C -0.365 174.390 174.900 -0.242 0.000 0.932 415 G CA 0.034 45.090 45.100 -0.073 0.000 0.743 415 G HN 0.574 nan 8.290 nan 0.000 0.441 416 A N 0.461 122.835 122.820 -0.744 0.000 2.547 416 A HA 0.487 4.807 4.320 0.001 0.000 0.233 416 A C 0.175 177.586 177.584 -0.289 0.000 1.067 416 A CA 0.345 51.873 52.037 -0.847 0.000 0.763 416 A CB 0.262 18.500 19.000 -1.271 0.000 1.007 416 A HN 0.420 nan 8.150 nan 0.000 0.506 417 E N 0.619 120.739 120.200 -0.133 0.000 2.129 417 E HA 0.432 4.782 4.350 0.001 0.000 0.268 417 E C -1.426 175.179 176.600 0.008 0.000 0.900 417 E CA -0.476 55.908 56.400 -0.027 0.000 0.755 417 E CB 1.426 31.146 29.700 0.033 0.000 1.117 417 E HN 0.450 nan 8.360 nan 0.000 0.410 418 I N 2.486 123.060 120.570 0.007 0.000 2.312 418 I HA 0.047 4.218 4.170 0.001 0.000 0.291 418 I C 0.494 176.653 176.117 0.070 0.000 1.031 418 I CA 0.067 61.392 61.300 0.043 0.000 1.293 418 I CB 1.261 39.273 38.000 0.020 0.000 1.403 418 I HN 0.346 nan 8.210 nan 0.000 0.484 419 S N 7.843 123.629 115.700 0.144 0.000 2.565 419 S HA 0.401 4.872 4.470 0.001 0.000 0.276 419 S C -1.605 173.003 174.600 0.013 0.000 1.326 419 S CA -0.998 57.281 58.200 0.132 0.000 1.045 419 S CB 0.800 64.183 63.200 0.304 0.000 0.918 419 S HN 0.450 nan 8.310 nan 0.000 0.505 420 P HA 0.145 nan 4.420 nan 0.000 0.249 420 P C -0.261 176.759 177.300 -0.468 0.000 1.229 420 P CA 0.606 63.508 63.100 -0.330 0.000 0.788 420 P CB -0.120 31.289 31.700 -0.484 0.000 1.072 421 Y N -2.211 118.002 120.300 -0.146 0.000 2.485 421 Y HA 0.234 4.785 4.550 0.001 0.000 0.260 421 Y C 0.434 176.095 175.900 -0.398 0.000 1.173 421 Y CA -0.374 57.553 58.100 -0.288 0.000 1.252 421 Y CB -0.043 38.197 38.460 -0.367 0.000 1.123 421 Y HN -0.087 nan 8.280 nan 0.000 0.524 422 Y N -0.607 119.802 120.300 0.182 0.000 2.485 422 Y HA 0.178 4.729 4.550 0.001 0.000 0.345 422 Y C 0.167 176.126 175.900 0.098 0.000 0.998 422 Y CA -1.772 56.429 58.100 0.167 0.000 1.059 422 Y CB 0.983 39.550 38.460 0.178 0.000 1.234 422 Y HN -0.157 nan 8.280 nan 0.000 0.461 423 D N 2.592 123.156 120.400 0.274 0.000 2.501 423 D HA -0.070 4.571 4.640 0.001 0.000 0.268 423 D C -0.047 176.340 176.300 0.144 0.000 1.361 423 D CA 0.286 54.376 54.000 0.150 0.000 1.258 423 D CB 0.063 40.929 40.800 0.110 0.000 1.136 423 D HN 0.566 nan 8.370 nan 0.000 0.528 424 S N 3.334 119.108 115.700 0.123 0.000 2.546 424 S HA 0.181 4.652 4.470 0.001 0.000 0.290 424 S C 0.018 174.672 174.600 0.091 0.000 1.262 424 S CA -0.525 57.739 58.200 0.107 0.000 1.083 424 S CB 0.739 63.985 63.200 0.077 0.000 0.859 424 S HN 0.493 nan 8.310 nan 0.000 0.495 425 L N 4.138 125.418 121.223 0.094 0.000 2.969 425 L HA 0.248 4.589 4.340 0.001 0.000 0.250 425 L C -0.218 176.710 176.870 0.097 0.000 0.953 425 L CA -0.599 54.294 54.840 0.089 0.000 1.066 425 L CB 0.596 42.708 42.059 0.089 0.000 1.497 425 L HN 0.772 nan 8.230 nan 0.000 0.512 426 L N 4.554 125.840 121.223 0.105 0.000 2.102 426 L HA 0.252 4.593 4.340 0.001 0.000 0.202 426 L C 0.379 177.347 176.870 0.164 0.000 1.076 426 L CA 0.755 55.677 54.840 0.137 0.000 0.761 426 L CB -0.132 42.036 42.059 0.181 0.000 0.921 426 L HN 0.476 nan 8.230 nan 0.000 0.444 427 V N -3.160 116.848 119.914 0.155 0.000 3.188 427 V HA 0.427 4.547 4.120 0.001 0.000 0.305 427 V C -1.413 174.734 176.094 0.089 0.000 1.232 427 V CA -1.226 61.158 62.300 0.139 0.000 1.043 427 V CB 1.852 33.788 31.823 0.188 0.000 1.068 427 V HN 0.206 nan 8.190 nan 0.000 0.439 428 K N 2.240 122.681 120.400 0.068 0.000 2.339 428 K HA 0.779 5.100 4.320 0.001 0.000 0.264 428 K C -1.266 175.353 176.600 0.032 0.000 0.986 428 K CA -0.548 55.761 56.287 0.036 0.000 0.866 428 K CB 2.337 34.842 32.500 0.009 0.000 1.103 428 K HN 0.720 nan 8.250 nan 0.000 0.441 429 L N 1.909 123.148 121.223 0.026 0.000 2.305 429 L HA 0.429 4.770 4.340 0.001 0.000 0.284 429 L C -0.934 175.944 176.870 0.014 0.000 1.013 429 L CA 0.136 54.989 54.840 0.022 0.000 0.819 429 L CB 1.695 43.764 42.059 0.017 0.000 1.227 429 L HN 0.821 nan 8.230 nan 0.000 0.417 430 S N 1.816 117.524 115.700 0.013 0.000 2.536 430 S HA 0.893 5.363 4.470 0.001 0.000 0.287 430 S C -0.332 174.283 174.600 0.026 0.000 1.101 430 S CA -0.184 58.028 58.200 0.019 0.000 0.950 430 S CB 1.602 64.803 63.200 0.003 0.000 1.056 430 S HN 0.889 nan 8.310 nan 0.000 0.481 431 T N -0.394 114.188 114.554 0.047 0.000 2.885 431 T HA 0.685 5.035 4.350 0.001 0.000 0.285 431 T C -0.895 173.876 174.700 0.117 0.000 1.019 431 T CA -0.526 61.602 62.100 0.047 0.000 1.010 431 T CB 1.377 70.261 68.868 0.026 0.000 1.022 431 T HN 0.839 nan 8.240 nan 0.000 0.466 432 H N 0.741 119.777 119.070 -0.058 0.000 2.710 432 H HA 0.875 5.432 4.556 0.001 0.000 0.361 432 H C -0.733 174.544 175.328 -0.085 0.000 1.175 432 H CA -0.019 56.004 56.048 -0.042 0.000 1.206 432 H CB 1.642 31.369 29.762 -0.059 0.000 1.750 432 H HN 1.221 nan 8.280 nan 0.000 0.553 433 A N 2.107 124.687 122.820 -0.400 0.000 2.571 433 A HA 0.269 4.589 4.320 0.001 0.000 0.296 433 A C 0.554 177.991 177.584 -0.244 0.000 1.005 433 A CA -0.135 51.693 52.037 -0.349 0.000 0.682 433 A CB -0.524 18.399 19.000 -0.128 0.000 1.292 433 A HN 0.644 nan 8.150 nan 0.000 0.420 434 I N 0.117 120.596 120.570 -0.152 0.000 2.145 434 I HA -0.060 4.111 4.170 0.001 0.000 0.244 434 I C 1.162 177.335 176.117 0.094 0.000 1.075 434 I CA 2.314 63.603 61.300 -0.019 0.000 1.332 434 I CB -0.686 37.320 38.000 0.010 0.000 1.033 434 I HN 0.772 nan 8.210 nan 0.000 0.410 435 S N -0.729 115.007 115.700 0.060 0.000 2.549 435 S HA 0.397 4.868 4.470 0.001 0.000 0.297 435 S C 0.628 175.238 174.600 0.016 0.000 1.115 435 S CA -0.824 57.402 58.200 0.044 0.000 1.059 435 S CB 0.871 64.071 63.200 0.000 0.000 1.046 435 S HN 0.259 nan 8.310 nan 0.000 0.506 436 F N 4.782 124.495 119.950 -0.396 0.000 2.065 436 F HA -0.094 4.434 4.527 0.001 0.000 0.298 436 F C 2.355 178.017 175.800 -0.229 0.000 1.112 436 F CA 2.469 60.177 58.000 -0.486 0.000 1.212 436 F CB -0.651 37.869 39.000 -0.800 0.000 0.975 436 F HN 0.889 nan 8.300 nan 0.000 0.476 437 K N 0.036 120.258 120.400 -0.298 0.000 2.097 437 K HA -0.271 4.049 4.320 0.001 0.000 0.206 437 K C 2.094 178.567 176.600 -0.211 0.000 1.049 437 K CA 1.811 57.887 56.287 -0.352 0.000 0.933 437 K CB -0.751 31.615 32.500 -0.224 0.000 0.717 437 K HN 0.432 nan 8.250 nan 0.000 0.442 438 Q N 0.511 120.242 119.800 -0.116 0.000 2.167 438 Q HA -0.050 4.290 4.340 0.001 0.000 0.202 438 Q C 2.074 178.040 176.000 -0.057 0.000 0.970 438 Q CA 1.489 57.254 55.803 -0.064 0.000 0.855 438 Q CB -0.158 28.565 28.738 -0.025 0.000 0.911 438 Q HN 0.518 nan 8.270 nan 0.000 0.438 439 A N 0.685 123.483 122.820 -0.037 0.000 1.902 439 A HA -0.232 4.088 4.320 0.001 0.000 0.217 439 A C 2.013 179.586 177.584 -0.018 0.000 1.181 439 A CA 1.645 53.694 52.037 0.020 0.000 0.623 439 A CB -0.654 18.450 19.000 0.172 0.000 0.818 439 A HN 0.486 nan 8.150 nan 0.000 0.443 440 E N 0.072 120.197 120.200 -0.124 0.000 2.072 440 E HA -0.191 4.160 4.350 0.001 0.000 0.191 440 E C 1.882 178.430 176.600 -0.087 0.000 0.985 440 E CA 1.346 57.669 56.400 -0.129 0.000 0.801 440 E CB -0.161 29.362 29.700 -0.295 0.000 0.750 440 E HN 0.762 nan 8.360 nan 0.000 0.452 441 E N 0.406 120.551 120.200 -0.092 0.000 2.077 441 E HA -0.168 4.183 4.350 0.001 0.000 0.193 441 E C 2.225 178.802 176.600 -0.039 0.000 0.989 441 E CA 0.968 57.330 56.400 -0.062 0.000 0.800 441 E CB 0.004 29.672 29.700 -0.054 0.000 0.746 441 E HN 0.125 nan 8.360 nan 0.000 0.452 442 K N 0.093 120.474 120.400 -0.032 0.000 2.097 442 K HA -0.134 4.187 4.320 0.001 0.000 0.205 442 K C 2.107 178.695 176.600 -0.020 0.000 1.050 442 K CA 1.042 57.316 56.287 -0.022 0.000 0.938 442 K CB -0.056 32.422 32.500 -0.035 0.000 0.718 442 K HN 0.021 nan 8.250 nan 0.000 0.442 443 M N 0.543 120.132 119.600 -0.018 0.000 2.077 443 M HA -0.132 4.348 4.480 0.001 0.000 0.261 443 M C 1.866 178.147 176.300 -0.032 0.000 1.070 443 M CA 1.440 56.731 55.300 -0.015 0.000 1.125 443 M CB -0.202 32.400 32.600 0.003 0.000 1.339 443 M HN -0.109 nan 8.290 nan 0.000 0.409 444 V N 0.679 120.567 119.914 -0.043 0.000 2.231 444 V HA -0.338 3.783 4.120 0.001 0.000 0.248 444 V C 2.729 178.798 176.094 -0.042 0.000 1.054 444 V CA 2.341 64.610 62.300 -0.052 0.000 1.015 444 V CB -0.862 30.926 31.823 -0.057 0.000 0.638 444 V HN 0.525 nan 8.190 nan 0.000 0.444 445 R N -0.125 120.355 120.500 -0.033 0.000 2.091 445 R HA -0.159 4.182 4.340 0.001 0.000 0.238 445 R C 2.449 178.734 176.300 -0.024 0.000 1.136 445 R CA 2.218 58.303 56.100 -0.025 0.000 0.959 445 R CB -0.731 29.560 30.300 -0.015 0.000 0.856 445 R HN 0.527 nan 8.270 nan 0.000 0.437 446 S N 0.938 116.625 115.700 -0.022 0.000 2.382 446 S HA -0.067 4.404 4.470 0.001 0.000 0.228 446 S C 1.986 176.566 174.600 -0.032 0.000 1.027 446 S CA 0.953 59.140 58.200 -0.021 0.000 0.991 446 S CB -0.091 63.100 63.200 -0.014 0.000 0.823 446 S HN 0.276 nan 8.310 nan 0.000 0.469 447 L N 0.810 122.011 121.223 -0.037 0.000 2.056 447 L HA -0.067 4.274 4.340 0.001 0.000 0.207 447 L C 2.662 179.503 176.870 -0.049 0.000 1.078 447 L CA 1.193 56.007 54.840 -0.044 0.000 0.749 447 L CB -0.361 41.669 42.059 -0.049 0.000 0.901 447 L HN 0.215 nan 8.230 nan 0.000 0.433 448 R N -0.314 120.159 120.500 -0.045 0.000 2.090 448 R HA -0.174 4.166 4.340 0.001 0.000 0.228 448 R C 2.127 178.400 176.300 -0.045 0.000 1.110 448 R CA 1.276 57.350 56.100 -0.044 0.000 0.973 448 R CB -0.244 30.033 30.300 -0.039 0.000 0.869 448 R HN 0.421 nan 8.270 nan 0.000 0.440 449 E N 0.399 120.574 120.200 -0.041 0.000 2.047 449 E HA -0.091 4.260 4.350 0.001 0.000 0.191 449 E C 0.310 176.873 176.600 -0.061 0.000 0.987 449 E CA 0.427 56.803 56.400 -0.041 0.000 0.799 449 E CB 0.209 29.892 29.700 -0.028 0.000 0.752 449 E HN -0.006 nan 8.360 nan 0.000 0.449 450 M N 1.461 121.016 119.600 -0.074 0.000 2.240 450 M HA -0.023 4.457 4.480 0.001 0.000 0.346 450 M C -0.029 176.190 176.300 -0.135 0.000 1.236 450 M CA 0.858 56.085 55.300 -0.122 0.000 0.986 450 M CB 0.368 32.898 32.600 -0.117 0.000 1.786 450 M HN -0.053 nan 8.290 nan 0.000 0.457 451 R N 3.669 124.052 120.500 -0.194 0.000 2.502 451 R HA 0.663 5.004 4.340 0.001 0.000 0.300 451 R C -1.650 174.519 176.300 -0.218 0.000 0.984 451 R CA -0.191 55.814 56.100 -0.158 0.000 0.882 451 R CB 0.899 31.135 30.300 -0.107 0.000 1.180 451 R HN 0.693 nan 8.270 nan 0.000 0.444 452 I N 4.754 125.240 120.570 -0.140 0.000 2.503 452 I HA 0.468 4.639 4.170 0.001 0.000 0.282 452 I C -0.224 175.880 176.117 -0.021 0.000 1.059 452 I CA -0.672 60.580 61.300 -0.080 0.000 1.081 452 I CB 1.458 39.428 38.000 -0.051 0.000 1.210 452 I HN 0.257 nan 8.210 nan 0.000 0.450 453 R N 4.019 124.520 120.500 0.002 0.000 2.532 453 R HA 0.759 5.100 4.340 0.001 0.000 0.295 453 R C 0.662 176.973 176.300 0.018 0.000 0.968 453 R CA -0.168 55.934 56.100 0.004 0.000 0.916 453 R CB 1.984 32.282 30.300 -0.003 0.000 1.124 453 R HN 0.917 nan 8.270 nan 0.000 0.463 454 G N 1.107 109.916 108.800 0.014 0.000 2.905 454 G HA2 -0.275 3.686 3.960 0.001 0.000 0.199 454 G HA3 -0.275 3.686 3.960 0.001 0.000 0.199 454 G C 0.085 174.996 174.900 0.017 0.000 1.370 454 G CA -0.009 45.105 45.100 0.023 0.000 0.966 454 G HN 0.565 nan 8.290 nan 0.000 0.522 455 V N -0.663 119.259 119.914 0.012 0.000 3.513 455 V HA 0.807 4.927 4.120 0.001 0.000 0.297 455 V C 0.644 176.735 176.094 -0.006 0.000 1.058 455 V CA -0.684 61.618 62.300 0.004 0.000 1.003 455 V CB 1.090 32.916 31.823 0.006 0.000 1.236 455 V HN 0.455 nan 8.190 nan 0.000 0.436 456 K N 0.302 120.691 120.400 -0.017 0.000 2.148 456 K HA 0.653 4.974 4.320 0.001 0.000 0.239 456 K C -0.282 176.298 176.600 -0.033 0.000 1.018 456 K CA -0.002 56.266 56.287 -0.033 0.000 0.923 456 K CB 1.540 34.009 32.500 -0.053 0.000 1.117 456 K HN 1.080 nan 8.250 nan 0.000 0.477 457 T N -1.883 112.641 114.554 -0.049 0.000 2.868 457 T HA 0.156 4.506 4.350 0.001 0.000 0.306 457 T C 0.342 174.997 174.700 -0.075 0.000 1.224 457 T CA -1.020 61.054 62.100 -0.044 0.000 1.012 457 T CB 1.100 69.953 68.868 -0.025 0.000 1.221 457 T HN 0.647 nan 8.240 nan 0.000 0.499 458 N N 1.064 119.727 118.700 -0.062 0.000 2.383 458 N HA 0.031 4.772 4.740 0.001 0.000 0.192 458 N C 1.333 176.857 175.510 0.023 0.000 1.141 458 N CA -0.080 52.933 53.050 -0.063 0.000 0.851 458 N CB -0.546 37.919 38.487 -0.037 0.000 0.976 458 N HN 0.753 nan 8.380 nan 0.000 0.465 459 I N 1.215 121.784 120.570 -0.001 0.000 2.113 459 I HA -0.231 3.940 4.170 0.001 0.000 0.242 459 I C -0.587 175.523 176.117 -0.011 0.000 1.064 459 I CA 1.637 62.933 61.300 -0.007 0.000 1.320 459 I CB -1.450 36.532 38.000 -0.029 0.000 1.028 459 I HN 0.122 nan 8.210 nan 0.000 0.406 460 P HA -0.225 nan 4.420 nan 0.000 0.216 460 P C 1.711 178.995 177.300 -0.026 0.000 1.150 460 P CA 1.584 64.669 63.100 -0.025 0.000 0.843 460 P CB -0.131 31.558 31.700 -0.018 0.000 0.787 461 F N -0.106 119.756 119.950 -0.146 0.000 2.113 461 F HA -0.143 4.384 4.527 0.001 0.000 0.297 461 F C 2.013 177.720 175.800 -0.156 0.000 1.103 461 F CA 1.406 59.296 58.000 -0.184 0.000 1.248 461 F CB -0.802 38.088 39.000 -0.182 0.000 0.999 461 F HN -0.256 nan 8.300 nan 0.000 0.475 462 L N -0.235 120.987 121.223 -0.001 0.000 2.017 462 L HA -0.240 4.101 4.340 0.001 0.000 0.208 462 L C 2.467 179.216 176.870 -0.201 0.000 1.073 462 L CA 1.404 56.179 54.840 -0.108 0.000 0.745 462 L CB -0.811 41.235 42.059 -0.022 0.000 0.894 462 L HN 0.142 nan 8.230 nan 0.000 0.432 463 I N 0.254 120.737 120.570 -0.145 0.000 2.151 463 I HA -0.354 3.816 4.170 0.001 0.000 0.243 463 I C 2.115 178.118 176.117 -0.190 0.000 1.080 463 I CA 1.690 62.906 61.300 -0.141 0.000 1.339 463 I CB -0.389 37.551 38.000 -0.099 0.000 1.039 463 I HN 0.331 nan 8.210 nan 0.000 0.409 464 N N -0.139 118.412 118.700 -0.249 0.000 2.223 464 N HA -0.138 4.603 4.740 0.001 0.000 0.185 464 N C 1.729 177.056 175.510 -0.304 0.000 1.016 464 N CA 1.007 53.892 53.050 -0.276 0.000 0.863 464 N CB -0.145 38.134 38.487 -0.347 0.000 0.983 464 N HN 0.114 nan 8.380 nan 0.000 0.429 465 V N 0.715 120.373 119.914 -0.427 0.000 2.307 465 V HA -0.209 3.911 4.120 0.001 0.000 0.245 465 V C 2.172 178.015 176.094 -0.418 0.000 1.045 465 V CA 1.239 63.284 62.300 -0.424 0.000 1.024 465 V CB -0.399 31.065 31.823 -0.598 0.000 0.651 465 V HN 0.343 nan 8.190 nan 0.000 0.449 466 M N -0.401 118.984 119.600 -0.358 0.000 2.159 466 M HA -0.133 4.348 4.480 0.001 0.000 0.263 466 M C 2.154 178.421 176.300 -0.054 0.000 1.063 466 M CA 1.584 56.780 55.300 -0.174 0.000 1.110 466 M CB -1.211 31.310 32.600 -0.132 0.000 1.374 466 M HN 0.281 nan 8.290 nan 0.000 0.411 467 K N 0.564 120.912 120.400 -0.085 0.000 2.097 467 K HA -0.079 4.242 4.320 0.001 0.000 0.206 467 K C 0.655 177.254 176.600 -0.002 0.000 1.049 467 K CA 0.428 56.685 56.287 -0.049 0.000 0.933 467 K CB -1.013 31.449 32.500 -0.063 0.000 0.717 467 K HN 0.363 nan 8.250 nan 0.000 0.442 468 N N 1.658 120.376 118.700 0.029 0.000 2.483 468 N HA -0.058 4.683 4.740 0.001 0.000 0.264 468 N C 0.826 176.414 175.510 0.129 0.000 1.197 468 N CA 0.166 53.277 53.050 0.100 0.000 0.927 468 N CB 0.861 39.471 38.487 0.204 0.000 1.065 468 N HN -0.052 nan 8.380 nan 0.000 0.461 469 K N 2.020 122.481 120.400 0.103 0.000 2.113 469 K HA -0.163 4.158 4.320 0.001 0.000 0.208 469 K C 0.984 177.651 176.600 0.112 0.000 1.047 469 K CA 1.324 57.661 56.287 0.083 0.000 0.928 469 K CB 0.197 32.736 32.500 0.065 0.000 0.716 469 K HN 0.435 nan 8.250 nan 0.000 0.446 470 K N -0.403 120.105 120.400 0.181 0.000 2.167 470 K HA -0.098 4.223 4.320 0.001 0.000 0.203 470 K C 1.926 178.615 176.600 0.149 0.000 1.052 470 K CA 1.013 57.417 56.287 0.195 0.000 0.956 470 K CB -0.417 32.276 32.500 0.321 0.000 0.735 470 K HN 0.211 nan 8.250 nan 0.000 0.451 471 F N 2.360 122.236 119.950 -0.123 0.000 2.084 471 F HA -0.220 4.308 4.527 0.001 0.000 0.296 471 F C 2.189 178.042 175.800 0.088 0.000 1.111 471 F CA 1.630 59.489 58.000 -0.234 0.000 1.224 471 F CB -0.260 38.479 39.000 -0.434 0.000 0.991 471 F HN -0.052 nan 8.300 nan 0.000 0.471 472 T N -0.626 113.922 114.554 -0.009 0.000 2.759 472 T HA -0.269 4.082 4.350 0.001 0.000 0.269 472 T C 2.182 176.892 174.700 0.016 0.000 1.042 472 T CA 1.615 63.643 62.100 -0.119 0.000 1.140 472 T CB -0.679 68.125 68.868 -0.107 0.000 0.864 472 T HN 0.420 nan 8.240 nan 0.000 0.455 473 S N 0.210 115.933 115.700 0.037 0.000 2.423 473 S HA -0.105 4.366 4.470 0.001 0.000 0.238 473 S C 2.084 176.694 174.600 0.016 0.000 1.028 473 S CA 2.046 60.267 58.200 0.034 0.000 1.000 473 S CB -0.873 62.354 63.200 0.045 0.000 0.797 473 S HN 0.858 nan 8.310 nan 0.000 0.487 474 G N 0.610 109.432 108.800 0.036 0.000 2.284 474 G HA2 -0.268 3.692 3.960 0.001 0.000 0.261 474 G HA3 -0.268 3.692 3.960 0.001 0.000 0.261 474 G C 0.419 175.119 174.900 -0.334 0.000 0.997 474 G CA 0.611 45.625 45.100 -0.143 0.000 0.621 474 G HN 0.595 nan 8.290 nan 0.000 0.534 475 D N 0.519 120.820 120.400 -0.164 0.000 2.352 475 D HA 0.270 4.910 4.640 0.001 0.000 0.236 475 D C 1.063 177.286 176.300 -0.128 0.000 1.148 475 D CA -0.099 53.800 54.000 -0.168 0.000 0.844 475 D CB -0.445 40.320 40.800 -0.058 0.000 0.933 475 D HN 0.719 nan 8.370 nan 0.000 0.507 476 Y N -0.037 120.233 120.300 -0.050 0.000 2.379 476 Y HA 0.364 4.914 4.550 0.001 0.000 0.337 476 Y C 1.049 176.975 175.900 0.043 0.000 1.238 476 Y CA -0.950 57.145 58.100 -0.010 0.000 1.405 476 Y CB 0.154 38.520 38.460 -0.156 0.000 1.310 476 Y HN -0.218 nan 8.280 nan 0.000 0.569 477 T N -2.684 112.046 114.554 0.293 0.000 2.870 477 T HA 0.269 4.620 4.350 0.001 0.000 0.277 477 T C 1.056 175.954 174.700 0.330 0.000 1.000 477 T CA -0.269 61.971 62.100 0.232 0.000 0.982 477 T CB 0.974 69.940 68.868 0.165 0.000 1.249 477 T HN 0.854 nan 8.240 nan 0.000 0.589 478 T N -1.394 113.308 114.554 0.246 0.000 3.051 478 T HA -0.031 4.320 4.350 0.001 0.000 0.269 478 T C 1.404 176.231 174.700 0.211 0.000 1.127 478 T CA 0.340 62.580 62.100 0.234 0.000 1.107 478 T CB -0.397 68.580 68.868 0.182 0.000 0.898 478 T HN 0.512 nan 8.240 nan 0.000 0.517 479 K N 0.561 121.084 120.400 0.204 0.000 2.155 479 K HA 0.055 4.375 4.320 0.001 0.000 0.203 479 K C 1.674 178.394 176.600 0.200 0.000 1.052 479 K CA 0.504 56.889 56.287 0.163 0.000 0.948 479 K CB -0.876 31.706 32.500 0.135 0.000 0.728 479 K HN 0.441 nan 8.250 nan 0.000 0.448 480 F N 2.700 122.732 119.950 0.137 0.000 2.080 480 F HA -0.369 4.159 4.527 0.001 0.000 0.289 480 F C 2.047 177.917 175.800 0.117 0.000 1.101 480 F CA 1.783 59.864 58.000 0.136 0.000 1.267 480 F CB -0.750 38.346 39.000 0.161 0.000 0.943 480 F HN -0.089 nan 8.300 nan 0.000 0.508 481 I N 0.383 120.856 120.570 -0.162 0.000 2.208 481 I HA -0.307 3.864 4.170 0.001 0.000 0.245 481 I C 2.399 178.491 176.117 -0.041 0.000 1.097 481 I CA 2.073 63.243 61.300 -0.215 0.000 1.363 481 I CB -0.646 37.417 38.000 0.105 0.000 1.051 481 I HN 0.460 nan 8.210 nan 0.000 0.413 482 E N 0.348 120.555 120.200 0.012 0.000 2.482 482 E HA -0.140 4.211 4.350 0.001 0.000 0.196 482 E C 1.348 177.950 176.600 0.003 0.000 1.047 482 E CA 0.576 56.987 56.400 0.019 0.000 0.869 482 E CB -0.123 29.585 29.700 0.014 0.000 0.836 482 E HN 0.549 nan 8.360 nan 0.000 0.520 483 E N 0.527 120.719 120.200 -0.014 0.000 2.481 483 E HA 0.078 4.428 4.350 0.001 0.000 0.198 483 E C -0.330 176.254 176.600 -0.027 0.000 1.027 483 E CA 0.173 56.575 56.400 0.004 0.000 0.900 483 E CB 0.902 30.634 29.700 0.053 0.000 0.993 483 E HN 0.031 nan 8.360 nan 0.000 0.482 484 T N 2.453 116.945 114.554 -0.103 0.000 3.150 484 T HA 0.135 4.486 4.350 0.001 0.000 0.383 484 T C -2.058 172.616 174.700 -0.043 0.000 1.313 484 T CA -1.296 60.720 62.100 -0.140 0.000 1.235 484 T CB 1.446 70.053 68.868 -0.435 0.000 1.088 484 T HN -0.008 nan 8.240 nan 0.000 0.556 485 P HA -0.123 nan 4.420 nan 0.000 0.217 485 P C 1.608 178.980 177.300 0.120 0.000 1.151 485 P CA 0.972 64.134 63.100 0.103 0.000 0.828 485 P CB 0.344 32.076 31.700 0.054 0.000 0.788 486 E N 0.324 120.549 120.200 0.042 0.000 2.209 486 E HA -0.177 4.174 4.350 0.001 0.000 0.196 486 E C 1.899 178.488 176.600 -0.018 0.000 0.993 486 E CA 0.869 57.281 56.400 0.020 0.000 0.819 486 E CB -1.241 28.460 29.700 0.002 0.000 0.745 486 E HN 0.136 nan 8.360 nan 0.000 0.477 487 L N 0.311 121.486 121.223 -0.081 0.000 2.043 487 L HA -0.145 4.196 4.340 0.001 0.000 0.212 487 L C 2.196 178.929 176.870 -0.229 0.000 1.075 487 L CA 1.653 56.325 54.840 -0.281 0.000 0.752 487 L CB -0.803 40.953 42.059 -0.504 0.000 0.891 487 L HN 0.081 nan 8.230 nan 0.000 0.432 488 F N -0.954 119.034 119.950 0.063 0.000 2.804 488 F HA 0.030 4.558 4.527 0.001 0.000 0.303 488 F C 0.480 176.318 175.800 0.064 0.000 1.154 488 F CA -0.336 57.748 58.000 0.139 0.000 1.401 488 F CB -0.441 38.645 39.000 0.143 0.000 1.106 488 F HN -0.013 nan 8.300 nan 0.000 0.568 489 D N 1.934 122.416 120.400 0.136 0.000 2.435 489 D HA 0.187 4.828 4.640 0.001 0.000 0.230 489 D C 0.369 176.690 176.300 0.035 0.000 1.215 489 D CA 0.159 54.204 54.000 0.075 0.000 0.947 489 D CB 0.053 40.878 40.800 0.042 0.000 1.048 489 D HN 0.266 nan 8.370 nan 0.000 0.512 490 I N -1.023 119.576 120.570 0.049 0.000 2.924 490 I HA 0.564 4.734 4.170 0.001 0.000 0.316 490 I C -0.716 175.408 176.117 0.013 0.000 1.014 490 I CA -0.962 60.349 61.300 0.019 0.000 1.106 490 I CB 1.431 39.445 38.000 0.024 0.000 1.311 490 I HN 0.068 nan 8.210 nan 0.000 0.502 491 Q N 2.187 121.986 119.800 -0.001 0.000 2.263 491 Q HA 0.548 4.889 4.340 0.001 0.000 0.266 491 Q C -2.817 173.178 176.000 -0.009 0.000 1.002 491 Q CA -1.870 53.931 55.803 -0.003 0.000 0.790 491 Q CB 1.305 30.040 28.738 -0.006 0.000 1.272 491 Q HN 0.522 nan 8.270 nan 0.000 0.435 492 P HA -0.018 nan 4.420 nan 0.000 0.266 492 P C -0.311 176.980 177.300 -0.016 0.000 1.215 492 P CA -0.006 63.086 63.100 -0.014 0.000 0.763 492 P CB 0.889 32.581 31.700 -0.014 0.000 0.806 493 S N 3.539 119.227 115.700 -0.019 0.000 2.700 493 S HA 0.112 4.582 4.470 0.001 0.000 0.321 493 S C 1.122 175.711 174.600 -0.018 0.000 1.161 493 S CA -0.686 57.502 58.200 -0.020 0.000 1.078 493 S CB -0.536 62.649 63.200 -0.024 0.000 1.302 493 S HN 0.410 nan 8.310 nan 0.000 0.540 494 L N 1.741 122.954 121.223 -0.016 0.000 2.757 494 L HA -0.084 4.257 4.340 0.001 0.000 0.243 494 L C 0.904 177.767 176.870 -0.012 0.000 1.182 494 L CA 0.478 55.309 54.840 -0.015 0.000 0.851 494 L CB -1.035 41.016 42.059 -0.013 0.000 0.989 494 L HN 0.769 nan 8.230 nan 0.000 0.457 495 D N 0.404 120.795 120.400 -0.015 0.000 2.803 495 D HA -0.220 4.421 4.640 0.001 0.000 0.233 495 D C 1.129 177.424 176.300 -0.009 0.000 1.182 495 D CA 0.530 54.522 54.000 -0.014 0.000 0.726 495 D CB -0.211 40.582 40.800 -0.012 0.000 0.987 495 D HN 0.317 nan 8.370 nan 0.000 0.412 496 R N -0.156 120.336 120.500 -0.013 0.000 2.235 496 R HA 0.114 4.455 4.340 0.001 0.000 0.213 496 R C 2.404 178.692 176.300 -0.021 0.000 1.059 496 R CA 1.025 57.118 56.100 -0.011 0.000 0.997 496 R CB 0.022 30.313 30.300 -0.016 0.000 0.884 496 R HN 0.373 nan 8.270 nan 0.000 0.462 497 G N 0.169 108.951 108.800 -0.030 0.000 2.464 497 G HA2 -0.231 3.729 3.960 0.001 0.000 0.214 497 G HA3 -0.231 3.729 3.960 0.001 0.000 0.214 497 G C 1.296 176.158 174.900 -0.063 0.000 1.218 497 G CA 1.118 46.188 45.100 -0.050 0.000 0.794 497 G HN 0.192 nan 8.290 nan 0.000 0.542 498 T N 0.927 115.455 114.554 -0.043 0.000 2.699 498 T HA -0.112 4.238 4.350 0.001 0.000 0.268 498 T C 2.316 177.019 174.700 0.004 0.000 1.036 498 T CA 1.632 63.711 62.100 -0.034 0.000 1.147 498 T CB -0.167 68.696 68.868 -0.008 0.000 0.862 498 T HN 0.287 nan 8.240 nan 0.000 0.446 499 K N 0.467 120.890 120.400 0.039 0.000 2.103 499 K HA -0.034 4.287 4.320 0.001 0.000 0.204 499 K C 2.596 179.283 176.600 0.145 0.000 1.052 499 K CA 1.347 57.713 56.287 0.132 0.000 0.945 499 K CB -0.251 32.320 32.500 0.119 0.000 0.722 499 K HN 0.286 nan 8.250 nan 0.000 0.443 500 T N 2.001 116.578 114.554 0.040 0.000 2.788 500 T HA -0.092 4.259 4.350 0.001 0.000 0.268 500 T C 1.866 176.550 174.700 -0.025 0.000 1.044 500 T CA 1.033 63.138 62.100 0.009 0.000 1.139 500 T CB -0.154 68.691 68.868 -0.038 0.000 0.867 500 T HN 0.098 nan 8.240 nan 0.000 0.454 501 L N 0.431 121.567 121.223 -0.146 0.000 2.044 501 L HA 0.017 4.357 4.340 0.001 0.000 0.205 501 L C 2.765 179.619 176.870 -0.026 0.000 1.075 501 L CA 1.195 55.830 54.840 -0.343 0.000 0.747 501 L CB -0.500 41.164 42.059 -0.658 0.000 0.903 501 L HN 0.161 nan 8.230 nan 0.000 0.435 502 E N -0.470 119.771 120.200 0.069 0.000 2.153 502 E HA -0.261 4.089 4.350 0.001 0.000 0.194 502 E C 1.989 178.700 176.600 0.184 0.000 0.988 502 E CA 1.221 57.733 56.400 0.187 0.000 0.811 502 E CB -0.133 29.716 29.700 0.248 0.000 0.746 502 E HN 0.444 nan 8.360 nan 0.000 0.466 503 Y N -0.056 120.193 120.300 -0.086 0.000 2.176 503 Y HA -0.048 4.502 4.550 0.001 0.000 0.291 503 Y C 1.878 177.642 175.900 -0.226 0.000 1.122 503 Y CA 1.588 59.371 58.100 -0.528 0.000 1.128 503 Y CB -0.119 37.922 38.460 -0.698 0.000 1.005 503 Y HN -0.005 nan 8.280 nan 0.000 0.509 504 I N 0.116 120.718 120.570 0.052 0.000 2.208 504 I HA -0.310 3.861 4.170 0.001 0.000 0.245 504 I C 2.598 178.731 176.117 0.026 0.000 1.097 504 I CA 1.661 63.003 61.300 0.070 0.000 1.363 504 I CB -0.907 37.200 38.000 0.177 0.000 1.051 504 I HN 0.434 nan 8.210 nan 0.000 0.413 505 G N 0.119 108.999 108.800 0.134 0.000 2.422 505 G HA2 -0.295 3.666 3.960 0.001 0.000 0.218 505 G HA3 -0.295 3.666 3.960 0.001 0.000 0.218 505 G C 1.461 176.357 174.900 -0.008 0.000 1.146 505 G CA 0.837 46.006 45.100 0.115 0.000 0.769 505 G HN 0.408 nan 8.290 nan 0.000 0.547 506 N N 0.022 118.669 118.700 -0.088 0.000 2.142 506 N HA -0.094 4.646 4.740 0.001 0.000 0.186 506 N C 2.244 177.641 175.510 -0.189 0.000 1.023 506 N CA 1.217 54.191 53.050 -0.127 0.000 0.852 506 N CB 0.018 38.421 38.487 -0.140 0.000 0.998 506 N HN 0.189 nan 8.380 nan 0.000 0.424 507 V N 0.650 120.370 119.914 -0.323 0.000 2.453 507 V HA -0.128 3.993 4.120 0.001 0.000 0.247 507 V C 2.242 178.287 176.094 -0.082 0.000 1.048 507 V CA 1.422 63.582 62.300 -0.234 0.000 1.049 507 V CB -0.634 30.991 31.823 -0.330 0.000 0.672 507 V HN 0.339 nan 8.190 nan 0.000 0.457 508 T N 0.576 115.098 114.554 -0.054 0.000 2.665 508 T HA -0.178 4.173 4.350 0.001 0.000 0.268 508 T C 1.706 176.410 174.700 0.007 0.000 1.035 508 T CA 2.161 64.264 62.100 0.006 0.000 1.151 508 T CB -0.207 68.667 68.868 0.011 0.000 0.862 508 T HN 0.403 nan 8.240 nan 0.000 0.438 509 I N 0.474 121.038 120.570 -0.009 0.000 2.810 509 I HA 0.056 4.226 4.170 0.001 0.000 0.262 509 I C 1.816 177.932 176.117 -0.001 0.000 1.131 509 I CA 0.614 61.914 61.300 0.000 0.000 1.453 509 I CB -0.031 37.972 38.000 0.005 0.000 1.161 509 I HN 0.119 nan 8.210 nan 0.000 0.444 510 N N 0.890 119.580 118.700 -0.017 0.000 2.254 510 N HA 0.186 4.926 4.740 0.001 0.000 0.190 510 N C 0.829 176.323 175.510 -0.027 0.000 1.107 510 N CA 0.782 53.821 53.050 -0.019 0.000 0.869 510 N CB 0.813 39.287 38.487 -0.021 0.000 0.983 510 N HN 0.329 nan 8.380 nan 0.000 0.487 511 G N 1.584 110.367 108.800 -0.028 0.000 2.856 511 G HA2 -0.279 3.681 3.960 0.001 0.000 0.674 511 G HA3 -0.279 3.681 3.960 0.001 0.000 0.674 511 G C -0.740 174.156 174.900 -0.007 0.000 1.519 511 G CA -0.681 44.416 45.100 -0.006 0.000 0.940 511 G HN 0.194 nan 8.290 nan 0.000 0.564 512 F N 2.697 122.560 119.950 -0.146 0.000 2.410 512 F HA 0.610 5.138 4.527 0.001 0.000 0.334 512 F C -0.544 175.219 175.800 -0.062 0.000 1.134 512 F CA -0.868 57.061 58.000 -0.117 0.000 1.227 512 F CB 1.027 39.961 39.000 -0.110 0.000 1.194 512 F HN 0.554 nan 8.300 nan 0.000 0.571 516 V N 0.309 120.156 119.914 -0.111 0.000 4.247 516 V HA 0.544 4.664 4.120 0.001 0.000 0.284 516 V C 0.015 176.035 176.094 -0.124 0.000 1.349 516 V CA -0.481 61.689 62.300 -0.217 0.000 0.885 516 V CB 1.613 33.293 31.823 -0.238 0.000 1.296 516 V HN -0.063 nan 8.190 nan 0.000 0.458 517 E N 0.064 120.218 120.200 -0.076 0.000 2.272 517 E HA 0.316 4.667 4.350 0.001 0.000 0.269 517 E C -0.971 175.659 176.600 0.050 0.000 0.877 517 E CA -0.778 55.620 56.400 -0.004 0.000 0.755 517 E CB 1.824 31.534 29.700 0.018 0.000 1.192 517 E HN 0.288 nan 8.360 nan 0.000 0.422 518 K N 3.527 123.952 120.400 0.042 0.000 2.989 518 K HA 0.008 4.328 4.320 0.001 0.000 0.264 518 K C 0.306 176.956 176.600 0.084 0.000 1.228 518 K CA 0.145 56.471 56.287 0.064 0.000 1.186 518 K CB -0.471 32.050 32.500 0.035 0.000 1.409 518 K HN 0.445 nan 8.250 nan 0.000 0.271 519 R N -0.308 120.272 120.500 0.134 0.000 2.549 519 R HA 0.387 4.728 4.340 0.001 0.000 0.259 519 R C -1.974 174.398 176.300 0.120 0.000 1.095 519 R CA -1.250 54.915 56.100 0.108 0.000 1.148 519 R CB -0.193 30.166 30.300 0.098 0.000 1.181 519 R HN -0.153 nan 8.270 nan 0.000 0.571 520 P HA -0.047 nan 4.420 nan 0.000 0.313 520 P C -1.214 176.041 177.300 -0.075 0.000 1.332 520 P CA 0.003 63.113 63.100 0.016 0.000 0.777 520 P CB 0.262 31.959 31.700 -0.004 0.000 1.599 521 K N 0.205 120.513 120.400 -0.153 0.000 2.579 521 K HA 0.313 4.634 4.320 0.001 0.000 0.250 521 K C -2.521 173.918 176.600 -0.268 0.000 0.952 521 K CA -1.632 54.408 56.287 -0.411 0.000 0.857 521 K CB 1.616 33.974 32.500 -0.236 0.000 1.123 521 K HN 0.112 nan 8.250 nan 0.000 0.433 522 P HA 0.210 nan 4.420 nan 0.000 0.285 522 P C -1.116 176.193 177.300 0.016 0.000 1.319 522 P CA 0.326 63.473 63.100 0.078 0.000 0.786 522 P CB 0.126 31.825 31.700 -0.002 0.000 1.899 523 D N -1.059 119.417 120.400 0.127 0.000 3.278 523 D HA -0.184 4.456 4.640 0.001 0.000 0.233 523 D C -0.434 175.885 176.300 0.031 0.000 1.149 523 D CA 0.619 54.694 54.000 0.125 0.000 0.957 523 D CB -1.722 39.179 40.800 0.169 0.000 0.913 523 D HN 0.365 nan 8.370 nan 0.000 0.409 524 Y N -0.338 119.974 120.300 0.019 0.000 2.458 524 Y HA 0.162 4.712 4.550 0.001 0.000 0.256 524 Y C 1.068 176.978 175.900 0.017 0.000 1.159 524 Y CA -0.022 58.083 58.100 0.008 0.000 1.261 524 Y CB 0.771 39.225 38.460 -0.010 0.000 1.119 524 Y HN 0.011 nan 8.280 nan 0.000 0.524 525 E N 1.119 121.398 120.200 0.132 0.000 2.035 525 E HA 0.313 4.664 4.350 0.001 0.000 0.271 525 E C -0.996 175.639 176.600 0.060 0.000 0.953 525 E CA -0.079 56.368 56.400 0.078 0.000 0.777 525 E CB 0.324 30.056 29.700 0.055 0.000 1.104 525 E HN 0.193 nan 8.360 nan 0.000 0.408 526 L N 2.964 124.214 121.223 0.045 0.000 2.387 526 L HA 0.388 4.728 4.340 0.001 0.000 0.267 526 L C 0.336 177.234 176.870 0.047 0.000 1.197 526 L CA -0.685 54.182 54.840 0.046 0.000 1.070 526 L CB 0.142 42.211 42.059 0.017 0.000 1.349 526 L HN 0.399 nan 8.230 nan 0.000 0.422 527 A N 2.017 124.868 122.820 0.051 0.000 2.409 527 A HA 0.401 4.722 4.320 0.001 0.000 0.267 527 A C 0.611 178.250 177.584 0.092 0.000 1.127 527 A CA -0.099 51.971 52.037 0.056 0.000 0.795 527 A CB 0.672 19.697 19.000 0.041 0.000 1.061 527 A HN 0.550 nan 8.150 nan 0.000 0.502 528 S N 1.036 116.778 115.700 0.071 0.000 2.606 528 S HA 0.444 4.914 4.470 0.001 0.000 0.257 528 S C 0.075 174.730 174.600 0.091 0.000 1.327 528 S CA -0.206 58.035 58.200 0.068 0.000 0.984 528 S CB -0.010 63.209 63.200 0.032 0.000 0.941 528 S HN 0.502 nan 8.310 nan 0.000 0.576 529 I N 3.721 124.314 120.570 0.038 0.000 2.428 529 I HA 0.301 4.471 4.170 0.001 0.000 0.279 529 I C -2.113 173.960 176.117 -0.073 0.000 1.040 529 I CA -2.049 59.223 61.300 -0.046 0.000 1.171 529 I CB 1.365 39.324 38.000 -0.070 0.000 1.312 529 I HN 0.441 nan 8.210 nan 0.000 0.470 530 P HA 0.128 nan 4.420 nan 0.000 0.267 530 P C -0.265 176.990 177.300 -0.075 0.000 1.205 530 P CA 0.194 63.262 63.100 -0.054 0.000 0.765 530 P CB 0.804 32.482 31.700 -0.036 0.000 0.828 531 T N -0.608 113.922 114.554 -0.041 0.000 2.888 531 T HA 0.665 5.016 4.350 0.001 0.000 0.288 531 T C -0.597 174.104 174.700 0.001 0.000 1.063 531 T CA -0.847 61.236 62.100 -0.028 0.000 1.010 531 T CB 1.351 70.203 68.868 -0.027 0.000 1.214 531 T HN 0.147 nan 8.240 nan 0.000 0.533 532 V N 2.061 121.988 119.914 0.022 0.000 2.569 532 V HA 0.486 4.606 4.120 0.001 0.000 0.301 532 V C 0.289 176.403 176.094 0.034 0.000 1.044 532 V CA -1.018 61.310 62.300 0.046 0.000 0.874 532 V CB 1.853 33.739 31.823 0.104 0.000 1.002 532 V HN 1.283 nan 8.190 nan 0.000 0.424 533 S N 2.874 118.580 115.700 0.010 0.000 2.702 533 S HA -0.062 4.409 4.470 0.001 0.000 0.314 533 S C 1.530 176.117 174.600 -0.023 0.000 1.244 533 S CA 0.388 58.581 58.200 -0.012 0.000 1.058 533 S CB 0.696 63.880 63.200 -0.027 0.000 0.783 533 S HN 1.375 nan 8.310 nan 0.000 0.503 534 S N 2.629 118.316 115.700 -0.020 0.000 2.423 534 S HA -0.164 4.307 4.470 0.001 0.000 0.231 534 S C 1.940 176.503 174.600 -0.061 0.000 1.014 534 S CA 0.847 59.034 58.200 -0.022 0.000 0.965 534 S CB -1.079 62.114 63.200 -0.012 0.000 0.785 534 S HN 1.140 nan 8.310 nan 0.000 0.495 535 S N 1.789 117.445 115.700 -0.073 0.000 2.383 535 S HA -0.011 4.459 4.470 0.001 0.000 0.227 535 S C 1.921 176.420 174.600 -0.168 0.000 1.026 535 S CA 0.699 58.841 58.200 -0.097 0.000 0.981 535 S CB -0.525 62.629 63.200 -0.076 0.000 0.818 535 S HN 0.432 nan 8.310 nan 0.000 0.472 536 K N 0.956 121.235 120.400 -0.202 0.000 2.057 536 K HA 0.125 4.445 4.320 0.001 0.000 0.207 536 K C 0.666 176.818 176.600 -0.748 0.000 1.049 536 K CA 0.579 56.642 56.287 -0.374 0.000 0.931 536 K CB -0.516 31.827 32.500 -0.262 0.000 0.714 536 K HN 0.437 nan 8.250 nan 0.000 0.440 537 I N 2.307 122.592 120.570 -0.474 0.000 2.886 537 I HA -0.151 4.020 4.170 0.001 0.000 0.293 537 I C -0.708 175.269 176.117 -0.234 0.000 1.157 537 I CA 0.840 61.953 61.300 -0.311 0.000 1.472 537 I CB -0.868 37.184 38.000 0.087 0.000 1.492 537 I HN 0.159 nan 8.210 nan 0.000 0.652 538 F N 1.892 121.842 119.950 -0.001 0.000 2.183 538 F HA -0.187 4.341 4.527 0.001 0.000 0.318 538 F C 0.063 175.858 175.800 -0.009 0.000 1.037 538 F CA -0.509 57.493 58.000 0.002 0.000 0.912 538 F CB -0.615 38.394 39.000 0.014 0.000 4.134 538 F HN 0.268 nan 8.300 nan 0.000 0.138 539 S N 1.044 116.870 115.700 0.210 0.000 2.446 539 S HA 0.675 5.145 4.470 0.001 0.000 0.230 539 S C -0.311 174.303 174.600 0.024 0.000 1.051 539 S CA 0.181 58.426 58.200 0.076 0.000 1.113 539 S CB 0.761 63.986 63.200 0.040 0.000 1.184 539 S HN 1.276 nan 8.310 nan 0.000 0.435 540 G N 1.677 110.469 108.800 -0.014 0.000 3.264 540 G HA2 0.430 4.391 3.960 0.001 0.000 0.168 540 G HA3 0.430 4.391 3.960 0.001 0.000 0.168 540 G C 1.159 175.960 174.900 -0.166 0.000 1.145 540 G CA 0.342 45.392 45.100 -0.084 0.000 0.855 540 G HN 0.755 nan 8.290 nan 0.000 0.629 541 T N -0.941 113.499 114.554 -0.189 0.000 2.746 541 T HA -0.099 4.252 4.350 0.001 0.000 0.267 541 T C 2.081 176.677 174.700 -0.174 0.000 1.039 541 T CA 1.706 63.655 62.100 -0.251 0.000 1.142 541 T CB -0.220 68.495 68.868 -0.256 0.000 0.866 541 T HN 0.227 nan 8.240 nan 0.000 0.444 542 K N 0.955 121.292 120.400 -0.106 0.000 2.074 542 K HA -0.134 4.186 4.320 0.001 0.000 0.209 542 K C 2.474 179.022 176.600 -0.086 0.000 1.048 542 K CA 1.660 57.899 56.287 -0.081 0.000 0.926 542 K CB -0.418 32.054 32.500 -0.047 0.000 0.713 542 K HN 0.412 nan 8.250 nan 0.000 0.444 543 Q N 0.393 120.142 119.800 -0.085 0.000 2.079 543 Q HA -0.089 4.252 4.340 0.001 0.000 0.200 543 Q C 1.973 177.908 176.000 -0.109 0.000 0.974 543 Q CA 0.805 56.560 55.803 -0.081 0.000 0.840 543 Q CB -0.434 28.266 28.738 -0.064 0.000 0.898 543 Q HN 0.163 nan 8.270 nan 0.000 0.430 544 L N 0.058 121.180 121.223 -0.169 0.000 2.012 544 L HA -0.143 4.198 4.340 0.001 0.000 0.210 544 L C 1.935 178.724 176.870 -0.136 0.000 1.073 544 L CA 1.493 56.208 54.840 -0.209 0.000 0.748 544 L CB -0.869 40.956 42.059 -0.391 0.000 0.891 544 L HN 0.343 nan 8.230 nan 0.000 0.431 545 L N -0.553 120.597 121.223 -0.120 0.000 2.127 545 L HA -0.218 4.123 4.340 0.001 0.000 0.211 545 L C 1.891 178.724 176.870 -0.061 0.000 1.089 545 L CA 1.869 56.662 54.840 -0.078 0.000 0.757 545 L CB -0.967 41.047 42.059 -0.075 0.000 0.899 545 L HN 0.358 nan 8.230 nan 0.000 0.434 546 D N -0.634 119.728 120.400 -0.064 0.000 2.194 546 D HA -0.116 4.524 4.640 0.001 0.000 0.204 546 D C 1.965 178.240 176.300 -0.042 0.000 0.964 546 D CA 1.080 55.050 54.000 -0.049 0.000 0.846 546 D CB 0.058 40.829 40.800 -0.049 0.000 0.962 546 D HN 0.548 nan 8.370 nan 0.000 0.490 547 E N 0.492 120.663 120.200 -0.049 0.000 2.076 547 E HA -0.049 4.301 4.350 0.001 0.000 0.190 547 E C 1.955 178.540 176.600 -0.024 0.000 0.979 547 E CA 0.859 57.236 56.400 -0.037 0.000 0.807 547 E CB 0.338 30.011 29.700 -0.044 0.000 0.761 547 E HN 0.298 nan 8.360 nan 0.000 0.454 548 V N -3.150 116.748 119.914 -0.026 0.000 3.330 548 V HA 0.481 4.602 4.120 0.001 0.000 0.309 548 V C 0.729 176.823 176.094 -0.000 0.000 1.481 548 V CA 0.090 62.388 62.300 -0.004 0.000 1.068 548 V CB -0.001 31.827 31.823 0.010 0.000 0.935 548 V HN 0.241 nan 8.190 nan 0.000 0.453 549 G N 1.469 110.259 108.800 -0.017 0.000 2.804 549 G HA2 -0.182 3.778 3.960 0.001 0.000 0.230 549 G HA3 -0.182 3.778 3.960 0.001 0.000 0.230 549 G C -1.379 173.494 174.900 -0.045 0.000 1.386 549 G CA 0.050 45.134 45.100 -0.027 0.000 0.875 549 G HN 0.370 nan 8.290 nan 0.000 0.557 550 P HA -0.044 nan 4.420 nan 0.000 0.211 550 P C 1.933 179.154 177.300 -0.132 0.000 1.179 550 P CA 2.035 64.966 63.100 -0.282 0.000 0.910 550 P CB -0.097 31.131 31.700 -0.786 0.000 0.785 551 K N -0.714 119.677 120.400 -0.014 0.000 2.059 551 K HA -0.140 4.180 4.320 0.001 0.000 0.212 551 K C 2.356 179.028 176.600 0.119 0.000 1.050 551 K CA 1.917 58.292 56.287 0.147 0.000 0.927 551 K CB -1.237 31.352 32.500 0.149 0.000 0.714 551 K HN 0.193 nan 8.250 nan 0.000 0.447 552 G N 0.271 109.122 108.800 0.085 0.000 2.484 552 G HA2 -0.143 3.818 3.960 0.001 0.000 0.218 552 G HA3 -0.143 3.818 3.960 0.001 0.000 0.218 552 G C 1.492 176.479 174.900 0.145 0.000 1.130 552 G CA 0.302 45.462 45.100 0.100 0.000 0.784 552 G HN 0.099 nan 8.290 nan 0.000 0.543 553 V N 1.222 121.215 119.914 0.131 0.000 2.379 553 V HA -0.052 4.068 4.120 0.001 0.000 0.245 553 V C 3.250 179.550 176.094 0.343 0.000 1.044 553 V CA 1.882 64.311 62.300 0.215 0.000 1.036 553 V CB -0.457 31.456 31.823 0.151 0.000 0.664 553 V HN 0.433 nan 8.190 nan 0.000 0.453 554 A N -0.824 122.147 122.820 0.251 0.000 1.969 554 A HA -0.178 4.143 4.320 0.001 0.000 0.218 554 A C 2.185 179.873 177.584 0.174 0.000 1.169 554 A CA 1.424 53.597 52.037 0.227 0.000 0.635 554 A CB -0.351 18.779 19.000 0.217 0.000 0.810 554 A HN 0.502 nan 8.150 nan 0.000 0.445 555 E N -1.218 119.086 120.200 0.174 0.000 2.106 555 E HA -0.207 4.143 4.350 0.001 0.000 0.192 555 E C 1.709 178.401 176.600 0.153 0.000 0.984 555 E CA 1.173 57.654 56.400 0.134 0.000 0.806 555 E CB -0.336 29.438 29.700 0.124 0.000 0.750 555 E HN 0.904 nan 8.360 nan 0.000 0.458 556 W N 1.468 122.797 121.300 0.049 0.000 2.355 556 W HA -0.205 4.456 4.660 0.001 0.000 0.309 556 W C 2.033 178.577 176.519 0.041 0.000 1.206 556 W CA 1.380 58.753 57.345 0.047 0.000 1.284 556 W CB -0.382 29.114 29.460 0.060 0.000 1.145 556 W HN -0.205 nan 8.180 nan 0.000 0.502 557 V N 1.932 121.870 119.914 0.041 0.000 2.282 557 V HA -0.404 3.717 4.120 0.001 0.000 0.249 557 V C 2.425 178.328 176.094 -0.318 0.000 1.057 557 V CA 2.577 64.714 62.300 -0.272 0.000 1.032 557 V CB -1.100 30.695 31.823 -0.047 0.000 0.645 557 V HN 0.201 nan 8.190 nan 0.000 0.447 558 K N 0.043 120.348 120.400 -0.159 0.000 2.044 558 K HA -0.274 4.047 4.320 0.001 0.000 0.210 558 K C 2.205 178.701 176.600 -0.174 0.000 1.049 558 K CA 1.923 58.130 56.287 -0.134 0.000 0.927 558 K CB -0.317 32.149 32.500 -0.057 0.000 0.713 558 K HN 0.438 nan 8.250 nan 0.000 0.443 559 K N 0.803 121.082 120.400 -0.202 0.000 2.103 559 K HA -0.109 4.212 4.320 0.001 0.000 0.207 559 K C 0.589 177.044 176.600 -0.242 0.000 1.048 559 K CA 0.913 57.084 56.287 -0.194 0.000 0.930 559 K CB -0.014 32.380 32.500 -0.176 0.000 0.716 559 K HN 0.097 nan 8.250 nan 0.000 0.444 560 Q N 1.121 120.691 119.800 -0.384 0.000 2.300 560 Q HA -0.078 4.262 4.340 0.001 0.000 0.280 560 Q C 0.370 176.243 176.000 -0.211 0.000 1.033 560 Q CA 0.637 56.228 55.803 -0.353 0.000 0.903 560 Q CB 1.168 29.599 28.738 -0.513 0.000 1.195 560 Q HN 0.175 nan 8.270 nan 0.000 0.386 561 D N 1.689 122.007 120.400 -0.137 0.000 2.120 561 D HA -0.104 4.537 4.640 0.001 0.000 0.202 561 D C -0.422 175.831 176.300 -0.077 0.000 0.972 561 D CA 0.624 54.572 54.000 -0.086 0.000 0.837 561 D CB 0.433 41.209 40.800 -0.039 0.000 0.989 561 D HN 0.445 nan 8.370 nan 0.000 0.469 562 D N -0.129 120.234 120.400 -0.061 0.000 2.364 562 D HA 0.019 4.659 4.640 0.001 0.000 0.236 562 D C -0.277 175.971 176.300 -0.087 0.000 1.221 562 D CA 0.005 53.984 54.000 -0.036 0.000 0.891 562 D CB 0.967 41.764 40.800 -0.006 0.000 1.190 562 D HN -0.128 nan 8.370 nan 0.000 0.449 563 V N 2.066 121.934 119.914 -0.076 0.000 2.385 563 V HA 0.157 4.278 4.120 0.001 0.000 0.269 563 V C 0.530 176.572 176.094 -0.086 0.000 1.043 563 V CA -0.615 61.614 62.300 -0.117 0.000 0.906 563 V CB 0.384 32.130 31.823 -0.128 0.000 0.995 563 V HN 0.242 nan 8.190 nan 0.000 0.467 564 L N 6.203 127.354 121.223 -0.120 0.000 2.380 564 L HA 0.447 4.787 4.340 0.001 0.000 0.273 564 L C -0.068 176.761 176.870 -0.069 0.000 1.138 564 L CA -0.264 54.551 54.840 -0.042 0.000 0.832 564 L CB 0.820 42.867 42.059 -0.020 0.000 1.124 564 L HN 0.607 nan 8.230 nan 0.000 0.454 565 L N 0.363 121.605 121.223 0.033 0.000 2.330 565 L HA 0.722 5.063 4.340 0.001 0.000 0.271 565 L C -0.133 176.775 176.870 0.062 0.000 1.013 565 L CA -0.289 54.560 54.840 0.014 0.000 0.816 565 L CB 1.837 43.930 42.059 0.056 0.000 1.287 565 L HN 0.269 nan 8.230 nan 0.000 0.435 566 T N 0.929 115.515 114.554 0.052 0.000 2.758 566 T HA 0.285 4.636 4.350 0.001 0.000 0.285 566 T C -0.920 173.706 174.700 -0.122 0.000 0.981 566 T CA -0.039 62.093 62.100 0.054 0.000 0.965 566 T CB 0.801 69.835 68.868 0.275 0.000 0.927 566 T HN 0.833 nan 8.240 nan 0.000 0.448 567 D N 1.742 121.911 120.400 -0.385 0.000 2.308 567 D HA 0.271 4.912 4.640 0.001 0.000 0.251 567 D C 1.118 177.195 176.300 -0.372 0.000 1.127 567 D CA -0.233 53.455 54.000 -0.521 0.000 0.876 567 D CB 0.920 41.023 40.800 -1.162 0.000 1.176 567 D HN 0.518 nan 8.370 nan 0.000 0.446 568 T N -0.661 113.734 114.554 -0.265 0.000 3.176 568 T HA 0.091 4.441 4.350 0.001 0.000 0.263 568 T C 1.401 175.964 174.700 -0.228 0.000 1.021 568 T CA -0.340 61.641 62.100 -0.198 0.000 0.905 568 T CB 0.141 68.941 68.868 -0.113 0.000 1.057 568 T HN 0.265 nan 8.240 nan 0.000 0.558 569 T N 1.907 116.236 114.554 -0.375 0.000 2.708 569 T HA -0.006 4.344 4.350 0.001 0.000 0.266 569 T C 1.018 175.578 174.700 -0.234 0.000 1.037 569 T CA 1.277 63.112 62.100 -0.441 0.000 1.146 569 T CB -0.418 68.043 68.868 -0.678 0.000 0.865 569 T HN 0.412 nan 8.240 nan 0.000 0.435 570 F N 0.803 120.666 119.950 -0.145 0.000 2.407 570 F HA 0.197 4.725 4.527 0.001 0.000 0.299 570 F C 2.379 178.297 175.800 0.197 0.000 1.097 570 F CA 0.252 58.242 58.000 -0.018 0.000 1.422 570 F CB -0.376 38.617 39.000 -0.013 0.000 1.067 570 F HN -0.007 nan 8.300 nan 0.000 0.539 571 R N -0.042 120.584 120.500 0.209 0.000 2.171 571 R HA 0.051 4.392 4.340 0.001 0.000 0.171 571 R C 1.676 177.834 176.300 -0.237 0.000 1.662 571 R CA 0.818 56.947 56.100 0.049 0.000 1.323 571 R CB -0.892 29.432 30.300 0.039 0.000 1.180 571 R HN 0.030 nan 8.270 nan 0.000 0.474 572 D N 0.983 121.290 120.400 -0.154 0.000 2.162 572 D HA 0.067 4.708 4.640 0.001 0.000 0.203 572 D C 1.597 177.798 176.300 -0.166 0.000 0.967 572 D CA 1.276 55.182 54.000 -0.156 0.000 0.840 572 D CB 0.071 40.819 40.800 -0.087 0.000 0.972 572 D HN 0.326 nan 8.370 nan 0.000 0.482 573 A N 1.280 124.011 122.820 -0.148 0.000 1.848 573 A HA -0.264 4.057 4.320 0.001 0.000 0.217 573 A C 2.137 179.657 177.584 -0.106 0.000 1.220 573 A CA 2.422 54.384 52.037 -0.125 0.000 0.645 573 A CB -1.597 17.313 19.000 -0.151 0.000 0.842 573 A HN 0.632 nan 8.150 nan 0.000 0.451 574 H N -0.777 118.201 119.070 -0.153 0.000 2.521 574 H HA -0.073 4.484 4.556 0.001 0.000 0.286 574 H C 1.852 177.126 175.328 -0.090 0.000 1.034 574 H CA 1.444 57.408 56.048 -0.140 0.000 1.278 574 H CB -0.515 29.127 29.762 -0.199 0.000 1.386 574 H HN 0.722 nan 8.280 nan 0.000 0.567 575 Q N 1.092 120.579 119.800 -0.522 0.000 2.172 575 Q HA -0.080 4.261 4.340 0.001 0.000 0.200 575 Q C 1.913 177.834 176.000 -0.132 0.000 0.964 575 Q CA 1.270 56.883 55.803 -0.316 0.000 0.855 575 Q CB 0.314 28.884 28.738 -0.279 0.000 0.918 575 Q HN 0.440 nan 8.270 nan 0.000 0.444 576 S N 0.510 116.153 115.700 -0.095 0.000 2.345 576 S HA -0.066 4.404 4.470 0.001 0.000 0.219 576 S C 1.841 176.418 174.600 -0.037 0.000 1.031 576 S CA 0.968 59.146 58.200 -0.037 0.000 0.984 576 S CB -0.087 63.123 63.200 0.016 0.000 0.874 576 S HN 0.310 nan 8.310 nan 0.000 0.451 577 L N 0.150 121.357 121.223 -0.027 0.000 2.307 577 L HA 0.248 4.589 4.340 0.001 0.000 0.211 577 L C 0.477 177.369 176.870 0.036 0.000 1.099 577 L CA 0.763 55.604 54.840 0.000 0.000 0.816 577 L CB -0.047 42.015 42.059 0.005 0.000 0.952 577 L HN 0.165 nan 8.230 nan 0.000 0.455 578 L N -0.217 121.030 121.223 0.041 0.000 3.059 578 L HA 0.449 4.789 4.340 0.001 0.000 0.298 578 L C 0.721 177.616 176.870 0.042 0.000 1.304 578 L CA -0.472 54.420 54.840 0.088 0.000 0.855 578 L CB 0.623 42.709 42.059 0.045 0.000 1.266 578 L HN 0.050 nan 8.230 nan 0.000 0.572 579 A N -0.325 122.512 122.820 0.028 0.000 2.624 579 A HA -0.300 4.021 4.320 0.001 0.000 0.302 579 A C 1.285 178.843 177.584 -0.043 0.000 1.504 579 A CA 1.201 53.232 52.037 -0.010 0.000 0.804 579 A CB -1.822 17.187 19.000 0.015 0.000 1.020 579 A HN 0.787 nan 8.150 nan 0.000 0.444 580 T N -2.955 111.581 114.554 -0.031 0.000 5.221 580 T HA -0.281 4.070 4.350 0.001 0.000 0.299 580 T C 0.887 175.693 174.700 0.177 0.000 1.489 580 T CA 1.826 63.933 62.100 0.013 0.000 2.593 580 T CB -0.897 67.966 68.868 -0.008 0.000 1.859 580 T HN 0.843 nan 8.240 nan 0.000 0.982 581 R N 0.736 121.248 120.500 0.020 0.000 2.316 581 R HA 0.260 4.601 4.340 0.001 0.000 0.202 581 R C 0.800 177.109 176.300 0.014 0.000 1.029 581 R CA -0.020 56.024 56.100 -0.093 0.000 1.018 581 R CB -0.236 29.724 30.300 -0.567 0.000 0.888 581 R HN 0.546 nan 8.270 nan 0.000 0.471 582 V N 2.107 121.873 119.914 -0.247 0.000 2.599 582 V HA 0.006 4.127 4.120 0.001 0.000 0.300 582 V C 0.987 177.050 176.094 -0.052 0.000 1.034 582 V CA 0.255 62.290 62.300 -0.443 0.000 1.115 582 V CB 0.624 31.898 31.823 -0.915 0.000 0.934 582 V HN 0.210 nan 8.190 nan 0.000 0.485 583 R N 2.636 123.234 120.500 0.164 0.000 2.543 583 R HA 0.307 4.648 4.340 0.001 0.000 0.268 583 R C 1.409 177.708 176.300 -0.002 0.000 1.067 583 R CA -0.368 55.756 56.100 0.040 0.000 1.142 583 R CB 0.583 30.844 30.300 -0.065 0.000 1.110 583 R HN 0.766 nan 8.270 nan 0.000 0.549 584 T N 0.936 115.451 114.554 -0.066 0.000 2.684 584 T HA -0.207 4.144 4.350 0.001 0.000 0.267 584 T C 1.667 176.329 174.700 -0.062 0.000 1.036 584 T CA 1.662 63.716 62.100 -0.077 0.000 1.148 584 T CB -0.113 68.701 68.868 -0.090 0.000 0.863 584 T HN 0.499 nan 8.240 nan 0.000 0.436 585 K N 1.045 121.402 120.400 -0.073 0.000 2.074 585 K HA -0.198 4.123 4.320 0.001 0.000 0.209 585 K C 1.867 178.474 176.600 0.011 0.000 1.048 585 K CA 1.905 58.159 56.287 -0.054 0.000 0.926 585 K CB -0.195 32.248 32.500 -0.094 0.000 0.713 585 K HN 0.238 nan 8.250 nan 0.000 0.444 586 D N 0.312 120.758 120.400 0.076 0.000 2.078 586 D HA -0.186 4.455 4.640 0.001 0.000 0.193 586 D C 2.028 178.402 176.300 0.122 0.000 0.990 586 D CA 1.715 55.799 54.000 0.140 0.000 0.827 586 D CB -0.248 40.693 40.800 0.236 0.000 0.975 586 D HN 0.323 nan 8.370 nan 0.000 0.451 587 M N 0.370 120.056 119.600 0.144 0.000 2.088 587 M HA -0.176 4.305 4.480 0.001 0.000 0.256 587 M C 2.348 178.575 176.300 -0.122 0.000 1.071 587 M CA 1.249 56.542 55.300 -0.012 0.000 1.097 587 M CB -0.167 32.182 32.600 -0.418 0.000 1.315 587 M HN 0.009 nan 8.290 nan 0.000 0.406 588 I N 0.348 120.853 120.570 -0.109 0.000 2.830 588 I HA -0.201 3.970 4.170 0.001 0.000 0.263 588 I C 1.332 177.425 176.117 -0.039 0.000 1.230 588 I CA 1.286 62.539 61.300 -0.079 0.000 1.480 588 I CB -0.677 37.281 38.000 -0.070 0.000 1.095 588 I HN 0.428 nan 8.210 nan 0.000 0.455 589 N N 0.376 119.062 118.700 -0.024 0.000 2.443 589 N HA -0.169 4.571 4.740 0.001 0.000 0.184 589 N C 1.273 176.702 175.510 -0.136 0.000 1.037 589 N CA 0.760 53.788 53.050 -0.038 0.000 0.896 589 N CB 0.277 38.786 38.487 0.037 0.000 0.959 589 N HN 0.237 nan 8.380 nan 0.000 0.442 590 I N -0.815 119.670 120.570 -0.142 0.000 4.050 590 I HA 0.272 4.442 4.170 0.001 0.000 0.327 590 I C 1.361 177.503 176.117 0.041 0.000 1.473 590 I CA -0.088 61.078 61.300 -0.223 0.000 1.124 590 I CB 0.261 37.952 38.000 -0.514 0.000 1.129 590 I HN -0.086 nan 8.210 nan 0.000 0.428 591 A N 0.239 123.101 122.820 0.071 0.000 1.902 591 A HA -0.213 4.108 4.320 0.001 0.000 0.217 591 A C 2.483 180.147 177.584 0.134 0.000 1.181 591 A CA 2.112 54.238 52.037 0.148 0.000 0.623 591 A CB -1.027 18.026 19.000 0.088 0.000 0.818 591 A HN 0.566 nan 8.150 nan 0.000 0.443 592 S N -0.144 115.599 115.700 0.072 0.000 2.374 592 S HA -0.260 4.210 4.470 0.001 0.000 0.227 592 S C 1.916 176.565 174.600 0.081 0.000 1.037 592 S CA 1.913 60.159 58.200 0.076 0.000 1.024 592 S CB -0.290 62.931 63.200 0.036 0.000 0.861 592 S HN 0.421 nan 8.310 nan 0.000 0.456 593 K N 1.279 121.701 120.400 0.038 0.000 2.076 593 K HA 0.127 4.448 4.320 0.001 0.000 0.204 593 K C 2.236 178.854 176.600 0.031 0.000 1.051 593 K CA 1.805 58.098 56.287 0.010 0.000 0.949 593 K CB -1.321 31.145 32.500 -0.056 0.000 0.726 593 K HN 0.459 nan 8.250 nan 0.000 0.443 594 T N 0.633 115.258 114.554 0.117 0.000 2.759 594 T HA -0.156 4.195 4.350 0.001 0.000 0.269 594 T C 1.759 176.562 174.700 0.173 0.000 1.042 594 T CA 1.476 63.698 62.100 0.204 0.000 1.140 594 T CB -0.432 68.667 68.868 0.384 0.000 0.864 594 T HN 0.351 nan 8.240 nan 0.000 0.455 595 A N 1.562 124.472 122.820 0.150 0.000 1.933 595 A HA -0.131 4.189 4.320 0.001 0.000 0.218 595 A C 2.098 179.630 177.584 -0.087 0.000 1.175 595 A CA 2.059 54.165 52.037 0.115 0.000 0.628 595 A CB -0.679 18.440 19.000 0.198 0.000 0.814 595 A HN 0.581 nan 8.150 nan 0.000 0.444 596 D N -0.856 119.485 120.400 -0.097 0.000 2.194 596 D HA -0.068 4.573 4.640 0.001 0.000 0.204 596 D C 1.664 177.793 176.300 -0.285 0.000 0.964 596 D CA 1.320 55.134 54.000 -0.310 0.000 0.846 596 D CB -0.032 40.758 40.800 -0.017 0.000 0.962 596 D HN 0.137 nan 8.370 nan 0.000 0.490 597 V N -0.253 119.521 119.914 -0.233 0.000 2.307 597 V HA -0.097 4.023 4.120 0.001 0.000 0.245 597 V C 1.207 177.002 176.094 -0.498 0.000 1.045 597 V CA 1.201 63.263 62.300 -0.396 0.000 1.024 597 V CB -0.609 30.904 31.823 -0.517 0.000 0.651 597 V HN 0.196 nan 8.190 nan 0.000 0.449 598 F N 1.051 120.942 119.950 -0.099 0.000 2.974 598 F HA 0.207 4.735 4.527 0.001 0.000 0.292 598 F C 1.761 177.494 175.800 -0.111 0.000 1.209 598 F CA -0.380 57.568 58.000 -0.086 0.000 1.366 598 F CB -0.422 38.532 39.000 -0.077 0.000 1.033 598 F HN 0.159 nan 8.300 nan 0.000 0.516 599 K N -1.111 119.231 120.400 -0.098 0.000 2.209 599 K HA -0.127 4.193 4.320 0.001 0.000 0.204 599 K C 0.167 176.733 176.600 -0.057 0.000 1.048 599 K CA 1.709 57.871 56.287 -0.208 0.000 0.940 599 K CB -0.018 32.183 32.500 -0.498 0.000 0.729 599 K HN 0.108 nan 8.250 nan 0.000 0.451 600 D N 0.813 121.227 120.400 0.024 0.000 2.479 600 D HA 0.138 4.779 4.640 0.001 0.000 0.218 600 D C 0.371 176.779 176.300 0.180 0.000 1.177 600 D CA -0.020 54.043 54.000 0.105 0.000 0.830 600 D CB 0.651 41.512 40.800 0.102 0.000 1.014 600 D HN 0.361 nan 8.370 nan 0.000 0.503 601 G N 0.085 108.997 108.800 0.186 0.000 2.636 601 G HA2 0.127 4.088 3.960 0.001 0.000 0.246 601 G HA3 0.127 4.088 3.960 0.001 0.000 0.246 601 G C 0.415 175.444 174.900 0.215 0.000 1.216 601 G CA -0.476 44.751 45.100 0.212 0.000 0.854 601 G HN 0.082 nan 8.290 nan 0.000 0.572 602 F N 0.827 120.826 119.950 0.083 0.000 2.147 602 F HA 0.220 4.748 4.527 0.001 0.000 0.291 602 F C 1.401 177.241 175.800 0.068 0.000 1.093 602 F CA 1.146 59.211 58.000 0.109 0.000 1.263 602 F CB 0.090 39.134 39.000 0.073 0.000 1.036 602 F HN 0.600 nan 8.300 nan 0.000 0.481 603 S N -0.362 115.295 115.700 -0.073 0.000 2.638 603 S HA 0.623 5.094 4.470 0.001 0.000 0.274 603 S C -1.343 173.141 174.600 -0.194 0.000 1.157 603 S CA -0.954 57.122 58.200 -0.205 0.000 0.826 603 S CB 1.660 64.752 63.200 -0.179 0.000 1.139 603 S HN 0.136 nan 8.310 nan 0.000 0.474 604 L N 1.424 122.483 121.223 -0.273 0.000 2.313 604 L HA 0.559 4.900 4.340 0.001 0.000 0.283 604 L C 0.077 176.787 176.870 -0.266 0.000 1.013 604 L CA -0.522 54.087 54.840 -0.384 0.000 0.816 604 L CB 1.690 43.416 42.059 -0.555 0.000 1.236 604 L HN 0.744 nan 8.230 nan 0.000 0.419 605 E N 4.815 124.897 120.200 -0.198 0.000 2.052 605 E HA 0.252 4.603 4.350 0.001 0.000 0.283 605 E C -0.506 176.075 176.600 -0.031 0.000 1.071 605 E CA -0.313 56.031 56.400 -0.094 0.000 0.851 605 E CB 0.947 30.594 29.700 -0.089 0.000 1.066 605 E HN 0.555 nan 8.360 nan 0.000 0.396 606 M N 2.359 121.994 119.600 0.058 0.000 3.615 606 M HA 0.410 4.890 4.480 0.001 0.000 0.484 606 M C -1.161 175.348 176.300 0.348 0.000 1.686 606 M CA -0.597 54.820 55.300 0.195 0.000 0.713 606 M CB 0.387 33.077 32.600 0.151 0.000 1.471 606 M HN 0.231 nan 8.290 nan 0.000 0.538 607 W N -0.452 120.856 121.300 0.013 0.000 2.882 607 W HA 0.621 5.282 4.660 0.001 0.000 0.382 607 W C 0.290 176.825 176.519 0.026 0.000 1.143 607 W CA -0.056 57.301 57.345 0.021 0.000 1.155 607 W CB 0.451 29.914 29.460 0.005 0.000 1.466 607 W HN 0.784 nan 8.180 nan 0.000 0.570 608 G N 1.085 109.837 108.800 -0.080 0.000 2.750 608 G HA2 0.407 4.368 3.960 0.001 0.000 0.228 608 G HA3 0.407 4.368 3.960 0.001 0.000 0.228 608 G C 0.695 175.555 174.900 -0.066 0.000 1.367 608 G CA 1.251 46.309 45.100 -0.069 0.000 0.871 608 G HN 2.363 nan 8.290 nan 0.000 0.560 609 G N -1.160 107.633 108.800 -0.011 0.000 2.583 609 G HA2 0.162 4.123 3.960 0.001 0.000 0.292 609 G HA3 0.162 4.123 3.960 0.001 0.000 0.292 609 G C 1.568 176.467 174.900 -0.001 0.000 1.203 609 G CA 2.492 47.592 45.100 -0.001 0.000 0.987 609 G HN 2.575 nan 8.290 nan 0.000 0.554 610 A N -0.654 122.162 122.820 -0.007 0.000 2.218 610 A HA 0.374 4.694 4.320 0.001 0.000 0.209 610 A C 2.499 180.081 177.584 -0.003 0.000 1.168 610 A CA 2.389 54.437 52.037 0.019 0.000 0.804 610 A CB -0.772 18.249 19.000 0.034 0.000 0.834 610 A HN 1.993 nan 8.150 nan 0.000 0.482 611 T N -2.752 111.775 114.554 -0.045 0.000 2.788 611 T HA -0.193 4.157 4.350 0.001 0.000 0.268 611 T C 1.678 176.308 174.700 -0.116 0.000 1.044 611 T CA 1.461 63.532 62.100 -0.049 0.000 1.139 611 T CB -0.574 68.277 68.868 -0.029 0.000 0.867 611 T HN 0.328 nan 8.240 nan 0.000 0.454 612 F N 2.663 122.401 119.950 -0.352 0.000 2.051 612 F HA -0.044 4.484 4.527 0.001 0.000 0.296 612 F C 2.251 177.910 175.800 -0.236 0.000 1.122 612 F CA 1.924 59.690 58.000 -0.390 0.000 1.201 612 F CB -0.508 38.227 39.000 -0.441 0.000 0.978 612 F HN 0.163 nan 8.300 nan 0.000 0.472 613 D N -0.135 120.249 120.400 -0.027 0.000 2.103 613 D HA -0.202 4.439 4.640 0.001 0.000 0.190 613 D C 2.144 178.317 176.300 -0.213 0.000 0.997 613 D CA 2.202 55.976 54.000 -0.376 0.000 0.833 613 D CB -0.481 40.066 40.800 -0.421 0.000 0.961 613 D HN 0.152 nan 8.370 nan 0.000 0.447 614 V N 0.785 120.651 119.914 -0.079 0.000 2.332 614 V HA -0.222 3.898 4.120 0.001 0.000 0.248 614 V C 2.595 178.727 176.094 0.063 0.000 1.055 614 V CA 1.838 64.172 62.300 0.056 0.000 1.038 614 V CB -1.090 30.860 31.823 0.212 0.000 0.651 614 V HN 0.391 nan 8.190 nan 0.000 0.450 615 A N -1.047 121.754 122.820 -0.031 0.000 1.865 615 A HA -0.259 4.061 4.320 0.001 0.000 0.217 615 A C 2.116 179.652 177.584 -0.079 0.000 1.191 615 A CA 2.076 54.066 52.037 -0.078 0.000 0.623 615 A CB -0.923 17.947 19.000 -0.217 0.000 0.826 615 A HN 0.569 nan 8.150 nan 0.000 0.444 616 Y N -0.150 120.032 120.300 -0.198 0.000 2.165 616 Y HA -0.239 4.312 4.550 0.001 0.000 0.286 616 Y C 2.664 178.552 175.900 -0.020 0.000 1.155 616 Y CA 1.878 59.863 58.100 -0.191 0.000 1.164 616 Y CB -0.080 38.223 38.460 -0.262 0.000 0.978 616 Y HN 0.537 nan 8.280 nan 0.000 0.513 617 N N -0.896 117.833 118.700 0.050 0.000 2.335 617 N HA -0.101 4.640 4.740 0.001 0.000 0.197 617 N C 1.628 177.142 175.510 0.007 0.000 1.045 617 N CA 0.610 53.602 53.050 -0.096 0.000 0.928 617 N CB -0.357 37.864 38.487 -0.443 0.000 1.118 617 N HN 0.163 nan 8.380 nan 0.000 0.471 618 F N 1.151 121.199 119.950 0.165 0.000 2.293 618 F HA 0.093 4.620 4.527 0.001 0.000 0.297 618 F C 2.034 178.063 175.800 0.381 0.000 1.089 618 F CA 0.428 58.568 58.000 0.234 0.000 1.377 618 F CB 0.155 39.279 39.000 0.207 0.000 1.051 618 F HN 0.075 nan 8.300 nan 0.000 0.511 619 L N -0.555 120.953 121.223 0.475 0.000 2.477 619 L HA 0.055 4.395 4.340 0.001 0.000 0.220 619 L C 0.545 177.633 176.870 0.363 0.000 1.106 619 L CA 0.131 55.228 54.840 0.429 0.000 0.851 619 L CB -0.228 41.947 42.059 0.192 0.000 0.994 619 L HN -0.033 nan 8.230 nan 0.000 0.462 620 K N 1.751 122.362 120.400 0.351 0.000 3.077 620 K HA -0.192 4.129 4.320 0.001 0.000 0.264 620 K C -0.071 176.770 176.600 0.402 0.000 1.008 620 K CA 0.908 57.441 56.287 0.410 0.000 0.740 620 K CB -1.771 30.953 32.500 0.374 0.000 1.273 620 K HN 0.716 nan 8.250 nan 0.000 0.477 621 E N -0.634 119.697 120.200 0.218 0.000 2.288 621 E HA 0.321 4.672 4.350 0.001 0.000 0.268 621 E C -0.716 175.712 176.600 -0.288 0.000 0.885 621 E CA -0.989 55.467 56.400 0.093 0.000 0.767 621 E CB 1.487 31.159 29.700 -0.046 0.000 1.220 621 E HN 0.214 nan 8.360 nan 0.000 0.427 622 N N 2.817 121.336 118.700 -0.303 0.000 2.442 622 N HA 0.092 4.832 4.740 0.001 0.000 0.265 622 N C -1.777 173.467 175.510 -0.442 0.000 1.138 622 N CA -1.687 50.999 53.050 -0.606 0.000 0.956 622 N CB 0.922 39.311 38.487 -0.164 0.000 1.067 622 N HN 0.248 nan 8.380 nan 0.000 0.474 623 P HA -0.089 nan 4.420 nan 0.000 0.216 623 P C 0.420 177.692 177.300 -0.047 0.000 1.153 623 P CA 1.106 64.012 63.100 -0.325 0.000 0.848 623 P CB 0.028 31.336 31.700 -0.653 0.000 0.787 624 W N 0.667 121.972 121.300 0.008 0.000 2.331 624 W HA -0.149 4.512 4.660 0.001 0.000 0.291 624 W C 2.286 178.753 176.519 -0.086 0.000 1.214 624 W CA 1.011 58.365 57.345 0.014 0.000 1.228 624 W CB -0.758 28.748 29.460 0.077 0.000 1.135 624 W HN 0.091 nan 8.180 nan 0.000 0.537 625 E N 0.023 120.301 120.200 0.130 0.000 2.015 625 E HA -0.235 4.116 4.350 0.001 0.000 0.191 625 E C 2.180 178.768 176.600 -0.021 0.000 0.991 625 E CA 1.108 57.533 56.400 0.042 0.000 0.802 625 E CB -0.472 29.246 29.700 0.029 0.000 0.759 625 E HN 0.198 nan 8.360 nan 0.000 0.447 626 R N 0.868 121.340 120.500 -0.045 0.000 2.113 626 R HA -0.237 4.104 4.340 0.001 0.000 0.244 626 R C 2.460 178.697 176.300 -0.104 0.000 1.142 626 R CA 1.474 57.535 56.100 -0.065 0.000 0.953 626 R CB -0.440 29.841 30.300 -0.032 0.000 0.860 626 R HN 0.133 nan 8.270 nan 0.000 0.438 627 L N 1.556 122.649 121.223 -0.216 0.000 1.956 627 L HA -0.210 4.131 4.340 0.001 0.000 0.216 627 L C 1.915 178.682 176.870 -0.171 0.000 1.073 627 L CA 2.138 56.767 54.840 -0.352 0.000 0.762 627 L CB -0.919 40.696 42.059 -0.740 0.000 0.889 627 L HN 0.234 nan 8.230 nan 0.000 0.433 628 E N -1.047 119.087 120.200 -0.110 0.000 2.070 628 E HA -0.236 4.115 4.350 0.001 0.000 0.197 628 E C 2.276 178.834 176.600 -0.071 0.000 1.004 628 E CA 1.573 57.925 56.400 -0.081 0.000 0.805 628 E CB -0.088 29.595 29.700 -0.028 0.000 0.744 628 E HN 0.394 nan 8.360 nan 0.000 0.451 629 R N 0.174 120.646 120.500 -0.047 0.000 2.062 629 R HA -0.108 4.233 4.340 0.001 0.000 0.231 629 R C 2.580 178.874 176.300 -0.010 0.000 1.136 629 R CA 0.960 57.041 56.100 -0.032 0.000 0.948 629 R CB -0.766 29.514 30.300 -0.034 0.000 0.845 629 R HN 0.243 nan 8.270 nan 0.000 0.430 630 L N 0.691 121.921 121.223 0.010 0.000 2.081 630 L HA -0.200 4.141 4.340 0.001 0.000 0.212 630 L C 2.814 179.808 176.870 0.207 0.000 1.080 630 L CA 1.073 55.985 54.840 0.120 0.000 0.754 630 L CB -0.388 41.762 42.059 0.152 0.000 0.893 630 L HN 0.086 nan 8.230 nan 0.000 0.433 631 R N 0.736 121.229 120.500 -0.012 0.000 2.096 631 R HA -0.187 4.154 4.340 0.001 0.000 0.240 631 R C 2.165 178.384 176.300 -0.135 0.000 1.139 631 R CA 1.704 57.630 56.100 -0.289 0.000 0.952 631 R CB -0.353 29.757 30.300 -0.316 0.000 0.854 631 R HN 0.374 nan 8.270 nan 0.000 0.436 632 K N -0.856 119.508 120.400 -0.060 0.000 2.167 632 K HA 0.077 4.398 4.320 0.001 0.000 0.203 632 K C 1.920 178.528 176.600 0.014 0.000 1.052 632 K CA 0.919 57.185 56.287 -0.035 0.000 0.956 632 K CB 0.013 32.493 32.500 -0.034 0.000 0.735 632 K HN 0.137 nan 8.250 nan 0.000 0.451 633 A N 1.109 123.958 122.820 0.049 0.000 2.015 633 A HA -0.018 4.303 4.320 0.001 0.000 0.219 633 A C 1.171 178.841 177.584 0.143 0.000 1.163 633 A CA 0.855 52.943 52.037 0.085 0.000 0.646 633 A CB -0.108 18.943 19.000 0.085 0.000 0.806 633 A HN 0.186 nan 8.150 nan 0.000 0.448 634 I N -0.328 120.357 120.570 0.192 0.000 2.862 634 I HA 0.203 4.374 4.170 0.001 0.000 0.285 634 I C -2.496 173.739 176.117 0.197 0.000 1.339 634 I CA -1.301 60.162 61.300 0.271 0.000 1.002 634 I CB 1.659 39.922 38.000 0.440 0.000 1.618 634 I HN 0.013 nan 8.210 nan 0.000 0.593 635 P HA 0.107 nan 4.420 nan 0.000 0.262 635 P C 0.583 177.911 177.300 0.046 0.000 1.304 635 P CA 0.410 63.523 63.100 0.022 0.000 0.859 635 P CB 0.067 31.771 31.700 0.007 0.000 1.310 636 N N -0.828 117.941 118.700 0.114 0.000 2.348 636 N HA 0.042 4.783 4.740 0.001 0.000 0.183 636 N C 0.024 175.576 175.510 0.070 0.000 1.094 636 N CA 0.295 53.405 53.050 0.100 0.000 0.885 636 N CB 0.112 38.698 38.487 0.165 0.000 1.065 636 N HN -0.083 nan 8.380 nan 0.000 0.472 637 V N 2.296 122.292 119.914 0.137 0.000 2.459 637 V HA 0.335 4.455 4.120 0.001 0.000 0.295 637 V C 0.597 176.807 176.094 0.194 0.000 1.029 637 V CA -1.040 61.330 62.300 0.117 0.000 0.874 637 V CB 2.287 34.177 31.823 0.111 0.000 0.985 637 V HN 0.108 nan 8.190 nan 0.000 0.438 638 L N 4.364 125.596 121.223 0.015 0.000 2.593 638 L HA 0.024 4.365 4.340 0.001 0.000 0.287 638 L C -0.499 176.496 176.870 0.207 0.000 1.243 638 L CA 0.787 55.627 54.840 0.001 0.000 0.890 638 L CB -0.144 41.733 42.059 -0.303 0.000 1.134 638 L HN 0.465 nan 8.230 nan 0.000 0.502 639 F N 2.007 121.876 119.950 -0.135 0.000 2.458 639 F HA 0.527 5.054 4.527 0.001 0.000 0.330 639 F C 0.335 176.062 175.800 -0.121 0.000 1.082 639 F CA -0.712 57.222 58.000 -0.110 0.000 0.995 639 F CB 1.588 40.521 39.000 -0.112 0.000 1.170 639 F HN 0.390 nan 8.300 nan 0.000 0.478 640 Q N 3.823 123.641 119.800 0.030 0.000 2.309 640 Q HA 0.669 5.010 4.340 0.001 0.000 0.273 640 Q C -1.582 174.419 176.000 0.002 0.000 1.040 640 Q CA -0.847 54.947 55.803 -0.015 0.000 0.834 640 Q CB 2.616 31.362 28.738 0.014 0.000 1.345 640 Q HN 0.792 nan 8.270 nan 0.000 0.414 641 M N 1.296 120.877 119.600 -0.031 0.000 2.761 641 M HA 0.595 5.075 4.480 0.001 0.000 0.305 641 M C -1.482 174.844 176.300 0.043 0.000 1.235 641 M CA -1.249 54.083 55.300 0.054 0.000 0.850 641 M CB 1.565 34.247 32.600 0.137 0.000 1.744 641 M HN 0.534 nan 8.290 nan 0.000 0.480 642 L N 2.370 123.626 121.223 0.056 0.000 2.257 642 L HA 0.584 4.925 4.340 0.001 0.000 0.290 642 L C -1.650 175.345 176.870 0.209 0.000 1.044 642 L CA -0.400 54.492 54.840 0.087 0.000 0.810 642 L CB 1.103 43.148 42.059 -0.023 0.000 1.193 642 L HN 0.759 nan 8.230 nan 0.000 0.425 643 L N 5.619 127.024 121.223 0.304 0.000 2.298 643 L HA 0.506 4.847 4.340 0.001 0.000 0.284 643 L C -0.069 176.938 176.870 0.228 0.000 1.013 643 L CA -0.249 54.766 54.840 0.292 0.000 0.824 643 L CB 0.940 43.234 42.059 0.391 0.000 1.221 643 L HN 0.616 nan 8.230 nan 0.000 0.418 644 R N 3.448 123.984 120.500 0.060 0.000 2.401 644 R HA 0.300 4.641 4.340 0.001 0.000 0.299 644 R C 1.188 177.335 176.300 -0.255 0.000 1.064 644 R CA 0.641 56.511 56.100 -0.384 0.000 1.000 644 R CB 1.270 31.385 30.300 -0.308 0.000 0.973 644 R HN 0.951 nan 8.270 nan 0.000 0.438 645 A N 3.336 125.967 122.820 -0.316 0.000 1.869 645 A HA -0.303 4.018 4.320 0.001 0.000 0.218 645 A C 2.119 179.653 177.584 -0.083 0.000 1.203 645 A CA 2.442 54.401 52.037 -0.130 0.000 0.638 645 A CB -0.981 17.951 19.000 -0.112 0.000 0.831 645 A HN 0.934 nan 8.150 nan 0.000 0.450 646 S N 1.084 116.732 115.700 -0.087 0.000 2.351 646 S HA -0.229 4.242 4.470 0.001 0.000 0.220 646 S C 1.170 175.772 174.600 0.003 0.000 1.035 646 S CA 1.529 59.722 58.200 -0.012 0.000 1.031 646 S CB -0.844 62.362 63.200 0.011 0.000 0.928 646 S HN 0.926 nan 8.310 nan 0.000 0.433 647 N N -0.149 118.530 118.700 -0.035 0.000 2.299 647 N HA 0.569 5.310 4.740 0.001 0.000 0.246 647 N C 0.822 176.184 175.510 -0.247 0.000 1.254 647 N CA 0.224 53.252 53.050 -0.037 0.000 0.879 647 N CB 0.986 39.552 38.487 0.132 0.000 1.214 647 N HN 0.560 nan 8.380 nan 0.000 0.510 648 A N 0.611 123.312 122.820 -0.197 0.000 1.888 648 A HA -0.322 3.998 4.320 0.001 0.000 0.344 648 A C 1.052 178.461 177.584 -0.291 0.000 1.767 648 A CA 2.091 53.983 52.037 -0.240 0.000 1.063 648 A CB -1.553 17.167 19.000 -0.468 0.000 1.470 648 A HN 0.456 nan 8.150 nan 0.000 0.706 649 V N -0.512 119.076 119.914 -0.543 0.000 3.432 649 V HA 0.484 4.605 4.120 0.001 0.000 0.290 649 V C 1.305 177.242 176.094 -0.263 0.000 1.591 649 V CA 1.216 63.249 62.300 -0.446 0.000 1.069 649 V CB 0.231 31.571 31.823 -0.805 0.000 0.892 649 V HN 1.564 nan 8.190 nan 0.000 0.436 650 G N -0.031 108.543 108.800 -0.376 0.000 2.485 650 G HA2 0.148 4.109 3.960 0.001 0.000 0.260 650 G HA3 0.148 4.109 3.960 0.001 0.000 0.260 650 G C 0.334 175.272 174.900 0.062 0.000 1.459 650 G CA 0.822 45.737 45.100 -0.309 0.000 1.060 650 G HN 0.590 nan 8.290 nan 0.000 0.546 651 Y N -2.101 118.156 120.300 -0.071 0.000 2.435 651 Y HA 0.424 4.974 4.550 0.001 0.000 0.270 651 Y C 0.988 176.872 175.900 -0.027 0.000 1.093 651 Y CA -0.051 58.049 58.100 0.001 0.000 1.226 651 Y CB 0.262 38.742 38.460 0.034 0.000 1.289 651 Y HN 0.484 nan 8.280 nan 0.000 0.529 652 K N 0.553 120.441 120.400 -0.854 0.000 2.209 652 K HA 0.428 4.749 4.320 0.001 0.000 0.252 652 K C -0.886 175.352 176.600 -0.604 0.000 1.062 652 K CA -1.040 54.764 56.287 -0.804 0.000 1.003 652 K CB 0.410 32.220 32.500 -1.150 0.000 1.495 652 K HN -0.109 nan 8.250 nan 0.000 0.641 653 N N -0.262 118.079 118.700 -0.599 0.000 2.487 653 N HA 0.347 5.088 4.740 0.001 0.000 0.292 653 N C -1.445 173.684 175.510 -0.635 0.000 1.108 653 N CA -0.211 52.596 53.050 -0.405 0.000 0.956 653 N CB 0.776 39.151 38.487 -0.186 0.000 1.176 653 N HN 0.390 nan 8.380 nan 0.000 0.484 654 Y N -0.023 120.215 120.300 -0.103 0.000 2.524 654 Y HA 0.407 4.958 4.550 0.001 0.000 0.347 654 Y C -1.939 173.947 175.900 -0.024 0.000 1.005 654 Y CA -1.922 56.133 58.100 -0.075 0.000 1.025 654 Y CB 1.462 39.872 38.460 -0.083 0.000 1.275 654 Y HN 0.386 nan 8.280 nan 0.000 0.460 655 P HA 0.015 nan 4.420 nan 0.000 0.269 655 P C -0.093 177.282 177.300 0.125 0.000 1.215 655 P CA 0.113 63.269 63.100 0.094 0.000 0.780 655 P CB 1.276 33.002 31.700 0.045 0.000 0.898 656 D N 1.768 122.234 120.400 0.110 0.000 2.160 656 D HA -0.245 4.395 4.640 0.001 0.000 0.189 656 D C 1.511 177.951 176.300 0.233 0.000 1.003 656 D CA 2.188 56.280 54.000 0.153 0.000 0.846 656 D CB -1.132 39.759 40.800 0.151 0.000 0.949 656 D HN 0.677 nan 8.370 nan 0.000 0.446 657 N N 0.071 118.903 118.700 0.221 0.000 2.586 657 N HA -0.124 4.616 4.740 0.001 0.000 0.191 657 N C 1.305 177.073 175.510 0.431 0.000 1.085 657 N CA 0.581 53.811 53.050 0.300 0.000 0.921 657 N CB 0.034 38.639 38.487 0.198 0.000 0.954 657 N HN 0.053 nan 8.380 nan 0.000 0.448 658 V N 0.355 120.466 119.914 0.328 0.000 2.878 658 V HA -0.007 4.114 4.120 0.001 0.000 0.250 658 V C 2.160 178.374 176.094 0.200 0.000 1.075 658 V CA 0.739 63.237 62.300 0.330 0.000 1.096 658 V CB -0.273 31.671 31.823 0.201 0.000 0.724 658 V HN 0.395 nan 8.190 nan 0.000 0.467 659 I N -0.482 120.179 120.570 0.152 0.000 2.286 659 I HA -0.182 3.989 4.170 0.001 0.000 0.245 659 I C 2.458 178.636 176.117 0.101 0.000 1.104 659 I CA 1.423 62.777 61.300 0.089 0.000 1.397 659 I CB -0.371 37.636 38.000 0.012 0.000 1.072 659 I HN 0.358 nan 8.210 nan 0.000 0.417 660 H N 0.789 119.935 119.070 0.128 0.000 2.253 660 H HA -0.247 4.310 4.556 0.001 0.000 0.296 660 H C 2.218 177.606 175.328 0.099 0.000 1.067 660 H CA 2.158 58.263 56.048 0.096 0.000 1.245 660 H CB -0.141 29.672 29.762 0.085 0.000 1.364 660 H HN -0.022 nan 8.280 nan 0.000 0.494 661 K N 0.085 120.629 120.400 0.239 0.000 2.049 661 K HA -0.257 4.063 4.320 0.001 0.000 0.219 661 K C 2.048 178.732 176.600 0.141 0.000 1.056 661 K CA 2.021 58.353 56.287 0.076 0.000 0.946 661 K CB -0.802 31.635 32.500 -0.105 0.000 0.723 661 K HN 0.224 nan 8.250 nan 0.000 0.453 662 F N 0.265 120.275 119.950 0.100 0.000 2.046 662 F HA -0.224 4.304 4.527 0.001 0.000 0.297 662 F C 1.967 177.934 175.800 0.279 0.000 1.123 662 F CA 1.787 59.904 58.000 0.194 0.000 1.199 662 F CB -0.728 38.324 39.000 0.085 0.000 0.972 662 F HN -0.101 nan 8.300 nan 0.000 0.474 663 V N 0.299 120.305 119.914 0.153 0.000 2.282 663 V HA -0.376 3.744 4.120 0.001 0.000 0.249 663 V C 2.437 178.545 176.094 0.023 0.000 1.057 663 V CA 2.293 64.619 62.300 0.044 0.000 1.032 663 V CB -0.892 30.850 31.823 -0.135 0.000 0.645 663 V HN 0.374 nan 8.190 nan 0.000 0.447 664 Q N -0.225 119.590 119.800 0.025 0.000 2.045 664 Q HA -0.226 4.115 4.340 0.001 0.000 0.206 664 Q C 2.263 178.284 176.000 0.035 0.000 0.991 664 Q CA 1.988 57.805 55.803 0.024 0.000 0.851 664 Q CB -0.408 28.347 28.738 0.028 0.000 0.911 664 Q HN 0.590 nan 8.270 nan 0.000 0.418 665 E N -0.575 119.643 120.200 0.031 0.000 2.051 665 E HA -0.112 4.238 4.350 0.001 0.000 0.192 665 E C 2.122 178.831 176.600 0.183 0.000 0.991 665 E CA 1.283 57.691 56.400 0.013 0.000 0.799 665 E CB -0.366 29.290 29.700 -0.072 0.000 0.748 665 E HN 0.266 nan 8.360 nan 0.000 0.449 666 S N 0.972 116.828 115.700 0.260 0.000 2.359 666 S HA -0.182 4.288 4.470 0.001 0.000 0.224 666 S C 2.060 176.780 174.600 0.200 0.000 1.035 666 S CA 1.389 59.743 58.200 0.257 0.000 1.018 666 S CB -0.224 63.091 63.200 0.191 0.000 0.876 666 S HN 0.426 nan 8.310 nan 0.000 0.448 667 A N 1.060 124.052 122.820 0.287 0.000 1.970 667 A HA 0.038 4.359 4.320 0.001 0.000 0.216 667 A C 1.997 179.628 177.584 0.077 0.000 1.170 667 A CA 1.153 53.326 52.037 0.227 0.000 0.645 667 A CB -0.354 18.785 19.000 0.231 0.000 0.816 667 A HN 0.402 nan 8.150 nan 0.000 0.447 668 K N -0.538 119.893 120.400 0.052 0.000 2.211 668 K HA -0.000 4.320 4.320 0.001 0.000 0.203 668 K C 1.429 178.013 176.600 -0.027 0.000 1.050 668 K CA 1.024 57.309 56.287 -0.003 0.000 0.945 668 K CB -0.127 32.357 32.500 -0.026 0.000 0.732 668 K HN 0.416 nan 8.250 nan 0.000 0.451 669 A N -1.046 121.770 122.820 -0.007 0.000 2.470 669 A HA 0.347 4.668 4.320 0.001 0.000 0.251 669 A C 0.976 178.482 177.584 -0.131 0.000 1.245 669 A CA 0.535 52.547 52.037 -0.040 0.000 0.932 669 A CB 0.673 19.704 19.000 0.050 0.000 1.037 669 A HN 0.426 nan 8.150 nan 0.000 0.522 670 G N -0.552 108.153 108.800 -0.158 0.000 3.514 670 G HA2 -0.044 3.917 3.960 0.001 0.000 0.197 670 G HA3 -0.044 3.917 3.960 0.001 0.000 0.197 670 G C 0.084 174.825 174.900 -0.266 0.000 1.098 670 G CA -0.168 44.754 45.100 -0.297 0.000 0.884 670 G HN 0.171 nan 8.290 nan 0.000 0.433 671 I N 2.563 123.022 120.570 -0.185 0.000 2.826 671 I HA 0.086 4.256 4.170 0.001 0.000 0.295 671 I C 0.487 176.582 176.117 -0.036 0.000 1.213 671 I CA 1.075 62.291 61.300 -0.140 0.000 1.436 671 I CB 0.705 38.519 38.000 -0.309 0.000 1.348 671 I HN 0.236 nan 8.210 nan 0.000 0.570 672 D N 4.812 125.207 120.400 -0.009 0.000 2.597 672 D HA 0.107 4.747 4.640 0.001 0.000 0.261 672 D C 0.270 176.663 176.300 0.156 0.000 1.023 672 D CA 0.729 54.769 54.000 0.068 0.000 0.927 672 D CB 0.743 41.549 40.800 0.010 0.000 1.168 672 D HN 0.215 nan 8.370 nan 0.000 0.491 673 V N 1.215 121.183 119.914 0.090 0.000 2.547 673 V HA 0.372 4.493 4.120 0.001 0.000 0.299 673 V C -0.822 175.359 176.094 0.145 0.000 1.040 673 V CA -0.568 61.855 62.300 0.205 0.000 0.913 673 V CB 1.872 33.800 31.823 0.176 0.000 0.992 673 V HN -0.065 nan 8.190 nan 0.000 0.449 674 F N 3.409 123.470 119.950 0.184 0.000 2.513 674 F HA 0.479 5.007 4.527 0.001 0.000 0.358 674 F C 0.478 176.389 175.800 0.185 0.000 1.118 674 F CA -0.555 57.559 58.000 0.188 0.000 1.037 674 F CB 1.212 40.327 39.000 0.192 0.000 1.276 674 F HN 0.329 nan 8.300 nan 0.000 0.446 675 R N 4.685 125.328 120.500 0.239 0.000 2.343 675 R HA 0.405 4.746 4.340 0.001 0.000 0.326 675 R C -0.950 175.492 176.300 0.238 0.000 1.055 675 R CA 0.015 56.211 56.100 0.161 0.000 0.961 675 R CB 0.122 30.425 30.300 0.004 0.000 0.978 675 R HN 0.664 nan 8.270 nan 0.000 0.443 676 I N 7.231 127.937 120.570 0.227 0.000 2.330 676 I HA 0.264 4.435 4.170 0.001 0.000 0.289 676 I C -0.469 175.756 176.117 0.180 0.000 1.001 676 I CA -0.767 60.672 61.300 0.231 0.000 1.193 676 I CB 0.799 38.953 38.000 0.256 0.000 1.345 676 I HN 0.500 nan 8.210 nan 0.000 0.461 677 F N 4.201 124.166 119.950 0.025 0.000 2.561 677 F HA 0.717 5.244 4.527 0.001 0.000 0.321 677 F C -0.925 174.906 175.800 0.052 0.000 1.065 677 F CA -1.321 56.688 58.000 0.016 0.000 0.934 677 F CB 1.167 40.176 39.000 0.015 0.000 1.215 677 F HN 0.279 nan 8.300 nan 0.000 0.471 678 D N 0.961 121.313 120.400 -0.079 0.000 2.217 678 D HA 0.290 4.931 4.640 0.001 0.000 0.243 678 D C 0.834 177.153 176.300 0.031 0.000 1.054 678 D CA -0.115 53.806 54.000 -0.132 0.000 0.838 678 D CB 2.062 42.896 40.800 0.056 0.000 1.162 678 D HN 0.698 nan 8.370 nan 0.000 0.472 679 S N 3.125 118.804 115.700 -0.035 0.000 2.420 679 S HA -0.160 4.311 4.470 0.001 0.000 0.237 679 S C 1.270 175.974 174.600 0.174 0.000 1.023 679 S CA 0.841 59.132 58.200 0.152 0.000 0.991 679 S CB -0.246 63.020 63.200 0.109 0.000 0.792 679 S HN 0.603 nan 8.310 nan 0.000 0.488 680 L N 0.666 121.994 121.223 0.175 0.000 3.168 680 L HA 0.355 4.695 4.340 0.001 0.000 0.277 680 L C -0.255 176.760 176.870 0.242 0.000 1.245 680 L CA -0.377 54.574 54.840 0.185 0.000 1.035 680 L CB -0.350 41.802 42.059 0.154 0.000 1.399 680 L HN 0.093 nan 8.230 nan 0.000 0.580 681 N N 0.106 118.958 118.700 0.253 0.000 2.696 681 N HA -0.239 4.501 4.740 0.001 0.000 0.249 681 N C -0.588 175.112 175.510 0.317 0.000 1.090 681 N CA 0.782 53.996 53.050 0.273 0.000 0.716 681 N CB -1.069 37.623 38.487 0.342 0.000 1.020 681 N HN 0.479 nan 8.380 nan 0.000 0.548 682 W N 1.058 122.404 121.300 0.076 0.000 2.360 682 W HA 0.457 5.118 4.660 0.001 0.000 0.344 682 W C 0.999 177.545 176.519 0.045 0.000 1.025 682 W CA -0.967 56.410 57.345 0.053 0.000 1.480 682 W CB 0.006 29.486 29.460 0.032 0.000 1.350 682 W HN -0.064 nan 8.180 nan 0.000 0.382 683 V N 4.777 124.644 119.914 -0.078 0.000 2.324 683 V HA -0.353 3.768 4.120 0.001 0.000 0.250 683 V C 1.695 177.588 176.094 -0.334 0.000 1.060 683 V CA 2.547 64.762 62.300 -0.141 0.000 1.042 683 V CB -0.650 31.141 31.823 -0.053 0.000 0.650 683 V HN 0.440 nan 8.190 nan 0.000 0.450 684 D N -0.999 118.976 120.400 -0.709 0.000 2.309 684 D HA -0.195 4.446 4.640 0.001 0.000 0.212 684 D C 2.144 178.043 176.300 -0.668 0.000 0.968 684 D CA 0.862 54.436 54.000 -0.710 0.000 0.882 684 D CB -0.043 40.252 40.800 -0.841 0.000 0.918 684 D HN 0.534 nan 8.370 nan 0.000 0.503 685 Q N -0.316 119.065 119.800 -0.698 0.000 2.425 685 Q HA 0.039 4.379 4.340 0.001 0.000 0.204 685 Q C 1.355 177.267 176.000 -0.145 0.000 0.933 685 Q CA 0.373 55.966 55.803 -0.350 0.000 0.939 685 Q CB 0.223 28.892 28.738 -0.114 0.000 1.044 685 Q HN 0.369 nan 8.270 nan 0.000 0.513 686 M N -2.710 116.825 119.600 -0.107 0.000 2.346 686 M HA 0.282 4.763 4.480 0.001 0.000 0.280 686 M C 0.700 177.036 176.300 0.060 0.000 1.075 686 M CA 0.028 55.341 55.300 0.021 0.000 0.989 686 M CB 0.401 33.054 32.600 0.088 0.000 1.447 686 M HN -0.093 nan 8.290 nan 0.000 0.511 687 K N 1.230 121.609 120.400 -0.035 0.000 2.103 687 K HA 0.012 4.332 4.320 0.001 0.000 0.204 687 K C 1.986 178.545 176.600 -0.068 0.000 1.052 687 K CA 1.037 57.286 56.287 -0.062 0.000 0.945 687 K CB -0.052 32.393 32.500 -0.091 0.000 0.722 687 K HN 0.193 nan 8.250 nan 0.000 0.443 688 V N 1.696 121.575 119.914 -0.058 0.000 2.237 688 V HA -0.277 3.843 4.120 0.001 0.000 0.245 688 V C 2.426 178.428 176.094 -0.153 0.000 1.046 688 V CA 2.151 64.412 62.300 -0.065 0.000 1.007 688 V CB -0.827 30.976 31.823 -0.032 0.000 0.638 688 V HN 0.346 nan 8.190 nan 0.000 0.445 689 A N 0.295 123.057 122.820 -0.097 0.000 1.917 689 A HA -0.338 3.983 4.320 0.001 0.000 0.219 689 A C 2.064 179.585 177.584 -0.105 0.000 1.182 689 A CA 2.564 54.549 52.037 -0.087 0.000 0.633 689 A CB -0.968 18.047 19.000 0.025 0.000 0.819 689 A HN 0.614 nan 8.150 nan 0.000 0.448 690 N N -0.226 118.435 118.700 -0.065 0.000 2.069 690 N HA -0.166 4.574 4.740 0.001 0.000 0.191 690 N C 1.676 177.074 175.510 -0.187 0.000 1.031 690 N CA 2.006 54.958 53.050 -0.164 0.000 0.852 690 N CB -0.293 37.989 38.487 -0.341 0.000 1.018 690 N HN 0.660 nan 8.380 nan 0.000 0.423 691 E N -0.517 119.596 120.200 -0.145 0.000 2.106 691 E HA -0.080 4.271 4.350 0.001 0.000 0.192 691 E C 1.897 178.465 176.600 -0.052 0.000 0.984 691 E CA 0.938 57.295 56.400 -0.071 0.000 0.806 691 E CB -0.134 29.580 29.700 0.023 0.000 0.750 691 E HN 0.466 nan 8.360 nan 0.000 0.458 692 A N 0.860 123.552 122.820 -0.214 0.000 1.855 692 A HA -0.146 4.175 4.320 0.001 0.000 0.215 692 A C 2.503 179.959 177.584 -0.213 0.000 1.191 692 A CA 1.204 53.081 52.037 -0.267 0.000 0.613 692 A CB -0.758 17.913 19.000 -0.547 0.000 0.829 692 A HN 0.113 nan 8.150 nan 0.000 0.442 693 V N 0.246 119.980 119.914 -0.300 0.000 2.287 693 V HA -0.299 3.822 4.120 0.001 0.000 0.248 693 V C 2.770 178.782 176.094 -0.138 0.000 1.053 693 V CA 2.135 64.219 62.300 -0.361 0.000 1.027 693 V CB -0.867 30.758 31.823 -0.331 0.000 0.646 693 V HN 0.554 nan 8.190 nan 0.000 0.447 694 Q N -0.288 119.465 119.800 -0.079 0.000 2.061 694 Q HA -0.276 4.065 4.340 0.001 0.000 0.204 694 Q C 2.288 178.286 176.000 -0.004 0.000 0.984 694 Q CA 2.049 57.847 55.803 -0.009 0.000 0.846 694 Q CB -0.335 28.367 28.738 -0.058 0.000 0.902 694 Q HN 0.759 nan 8.270 nan 0.000 0.421 695 E N 0.334 120.526 120.200 -0.014 0.000 2.023 695 E HA -0.185 4.165 4.350 0.001 0.000 0.196 695 E C 1.793 178.390 176.600 -0.004 0.000 1.003 695 E CA 1.090 57.493 56.400 0.006 0.000 0.809 695 E CB -0.102 29.621 29.700 0.039 0.000 0.755 695 E HN 0.324 nan 8.360 nan 0.000 0.449 696 A N 0.129 122.932 122.820 -0.028 0.000 2.255 696 A HA -0.145 4.176 4.320 0.001 0.000 0.218 696 A C 1.837 179.420 177.584 -0.002 0.000 1.175 696 A CA 1.650 53.672 52.037 -0.026 0.000 0.682 696 A CB -1.149 17.805 19.000 -0.077 0.000 0.784 696 A HN 0.612 nan 8.150 nan 0.000 0.482 697 G N -1.898 106.905 108.800 0.004 0.000 2.168 697 G HA2 -0.291 3.670 3.960 0.001 0.000 0.257 697 G HA3 -0.291 3.670 3.960 0.001 0.000 0.257 697 G C 0.375 175.281 174.900 0.010 0.000 0.997 697 G CA 0.960 46.066 45.100 0.011 0.000 0.708 697 G HN 0.555 nan 8.290 nan 0.000 0.520 698 K N -0.690 119.729 120.400 0.033 0.000 2.583 698 K HA 0.689 5.010 4.320 0.001 0.000 0.263 698 K C 0.545 177.190 176.600 0.074 0.000 1.038 698 K CA -0.952 55.383 56.287 0.080 0.000 1.031 698 K CB 0.812 33.440 32.500 0.213 0.000 1.399 698 K HN 0.158 nan 8.250 nan 0.000 0.531 699 I N 0.889 121.562 120.570 0.171 0.000 2.312 699 I HA 0.072 4.242 4.170 0.001 0.000 0.290 699 I C 0.168 176.543 176.117 0.430 0.000 1.008 699 I CA -0.195 61.213 61.300 0.179 0.000 1.226 699 I CB 1.583 39.680 38.000 0.161 0.000 1.371 699 I HN 0.254 nan 8.210 nan 0.000 0.468 700 S N 6.059 122.149 115.700 0.650 0.000 2.438 700 S HA 0.278 4.749 4.470 0.001 0.000 0.293 700 S C -0.432 174.526 174.600 0.597 0.000 1.141 700 S CA -0.491 58.037 58.200 0.546 0.000 1.080 700 S CB 0.532 63.924 63.200 0.320 0.000 0.978 700 S HN 0.620 nan 8.310 nan 0.000 0.479 701 E N 3.627 124.121 120.200 0.491 0.000 2.145 701 E HA 0.492 4.843 4.350 0.001 0.000 0.262 701 E C -0.059 176.531 176.600 -0.016 0.000 0.883 701 E CA -0.684 55.886 56.400 0.284 0.000 0.748 701 E CB 0.936 30.767 29.700 0.218 0.000 1.140 701 E HN 0.719 nan 8.360 nan 0.000 0.417 702 G N 3.165 111.716 108.800 -0.414 0.000 2.349 702 G HA2 0.241 4.202 3.960 0.001 0.000 0.281 702 G HA3 0.241 4.202 3.960 0.001 0.000 0.281 702 G C -0.233 174.436 174.900 -0.385 0.000 1.182 702 G CA -0.161 44.299 45.100 -1.067 0.000 0.899 702 G HN 0.442 nan 8.290 nan 0.000 0.455 703 T N 2.541 116.947 114.554 -0.247 0.000 2.859 703 T HA 0.506 4.856 4.350 0.001 0.000 0.281 703 T C 0.170 174.883 174.700 0.023 0.000 1.005 703 T CA -0.244 61.828 62.100 -0.046 0.000 1.025 703 T CB 1.604 70.511 68.868 0.064 0.000 0.977 703 T HN 0.336 nan 8.240 nan 0.000 0.458 704 I N 2.033 122.654 120.570 0.085 0.000 2.420 704 I HA 0.255 4.426 4.170 0.001 0.000 0.282 704 I C -0.097 176.168 176.117 0.246 0.000 1.019 704 I CA -0.747 60.664 61.300 0.184 0.000 1.130 704 I CB 0.932 39.066 38.000 0.224 0.000 1.262 704 I HN 0.587 nan 8.210 nan 0.000 0.454 705 C N 5.476 124.934 119.300 0.264 0.000 2.648 705 C HA 0.071 4.531 4.460 0.001 0.000 0.415 705 C C 0.247 175.426 174.990 0.315 0.000 1.366 705 C CA -0.133 59.034 59.018 0.249 0.000 1.756 705 C CB -0.891 26.978 27.740 0.216 0.000 2.549 705 C HN 0.531 nan 8.230 nan 0.000 0.597 706 Y N 3.630 124.009 120.300 0.132 0.000 2.326 706 Y HA 0.537 5.088 4.550 0.001 0.000 0.337 706 Y C 0.845 176.781 175.900 0.061 0.000 1.023 706 Y CA 0.189 58.353 58.100 0.107 0.000 1.143 706 Y CB 0.843 39.274 38.460 -0.049 0.000 1.183 706 Y HN 0.877 nan 8.280 nan 0.000 0.485 707 T N 1.777 116.082 114.554 -0.415 0.000 2.716 707 T HA 0.848 5.199 4.350 0.001 0.000 0.286 707 T C 0.333 174.688 174.700 -0.576 0.000 1.052 707 T CA -0.393 61.459 62.100 -0.412 0.000 1.024 707 T CB 1.045 69.668 68.868 -0.408 0.000 1.349 707 T HN 1.415 nan 8.240 nan 0.000 0.525 708 G N 0.467 109.105 108.800 -0.269 0.000 2.598 708 G HA2 0.145 4.106 3.960 0.001 0.000 0.244 708 G HA3 0.145 4.106 3.960 0.001 0.000 0.244 708 G C -0.908 173.977 174.900 -0.026 0.000 1.302 708 G CA 0.462 45.504 45.100 -0.098 0.000 0.903 708 G HN 1.369 nan 8.290 nan 0.000 0.575 709 D N -0.799 119.647 120.400 0.076 0.000 2.333 709 D HA 0.312 4.953 4.640 0.001 0.000 0.225 709 D C 1.314 177.723 176.300 0.181 0.000 1.345 709 D CA 0.107 54.210 54.000 0.171 0.000 0.971 709 D CB 0.023 40.883 40.800 0.100 0.000 1.451 709 D HN 1.158 nan 8.370 nan 0.000 0.561 710 I N 0.684 121.417 120.570 0.272 0.000 3.083 710 I HA -0.033 4.138 4.170 0.001 0.000 0.273 710 I C 0.775 176.982 176.117 0.149 0.000 1.297 710 I CA 0.514 61.956 61.300 0.238 0.000 1.452 710 I CB -0.070 38.115 38.000 0.308 0.000 1.078 710 I HN 0.305 nan 8.210 nan 0.000 0.484 711 L N 0.750 122.042 121.223 0.115 0.000 2.162 711 L HA 0.052 4.392 4.340 0.001 0.000 0.205 711 L C 1.238 178.139 176.870 0.053 0.000 1.086 711 L CA 0.556 55.436 54.840 0.066 0.000 0.778 711 L CB -0.544 41.534 42.059 0.031 0.000 0.928 711 L HN 0.357 nan 8.230 nan 0.000 0.446 712 N N 1.375 120.108 118.700 0.055 0.000 2.437 712 N HA 0.103 4.844 4.740 0.001 0.000 0.243 712 N C -1.965 173.579 175.510 0.057 0.000 1.041 712 N CA -1.575 51.502 53.050 0.045 0.000 0.940 712 N CB 1.577 40.086 38.487 0.037 0.000 1.133 712 N HN -0.036 nan 8.380 nan 0.000 0.506 713 P HA 0.082 nan 4.420 nan 0.000 0.249 713 P C 0.257 177.576 177.300 0.032 0.000 1.229 713 P CA 0.642 63.768 63.100 0.044 0.000 0.788 713 P CB 0.535 32.257 31.700 0.036 0.000 1.072 714 E N -0.300 119.917 120.200 0.028 0.000 2.474 714 E HA -0.031 4.320 4.350 0.001 0.000 0.194 714 E C 1.911 178.527 176.600 0.026 0.000 1.041 714 E CA 0.007 56.415 56.400 0.014 0.000 0.874 714 E CB 0.060 29.763 29.700 0.005 0.000 0.914 714 E HN 0.007 nan 8.360 nan 0.000 0.498 715 R N 0.888 121.424 120.500 0.060 0.000 2.073 715 R HA 0.043 4.384 4.340 0.001 0.000 0.229 715 R C 0.825 177.210 176.300 0.142 0.000 1.120 715 R CA 1.095 57.261 56.100 0.110 0.000 0.967 715 R CB 0.134 30.503 30.300 0.115 0.000 0.862 715 R HN 0.027 nan 8.270 nan 0.000 0.436 716 S N -3.858 111.901 115.700 0.098 0.000 2.680 716 S HA 0.206 4.677 4.470 0.001 0.000 0.276 716 S C 0.324 174.937 174.600 0.021 0.000 1.189 716 S CA -0.099 58.151 58.200 0.084 0.000 0.909 716 S CB -0.561 62.729 63.200 0.150 0.000 1.227 716 S HN 0.080 nan 8.310 nan 0.000 0.501 717 I N 0.005 120.442 120.570 -0.221 0.000 3.631 717 I HA -0.338 3.833 4.170 0.001 0.000 0.175 717 I C 0.797 176.544 176.117 -0.616 0.000 0.622 717 I CA 2.413 63.445 61.300 -0.447 0.000 1.156 717 I CB -1.322 36.256 38.000 -0.703 0.000 0.973 717 I HN 0.636 nan 8.210 nan 0.000 0.280 718 Y N 2.030 122.125 120.300 -0.342 0.000 2.851 718 Y HA 0.312 4.863 4.550 0.001 0.000 0.369 718 Y C 1.067 176.885 175.900 -0.136 0.000 1.226 718 Y CA -0.276 57.545 58.100 -0.465 0.000 1.949 718 Y CB -0.256 37.979 38.460 -0.375 0.000 2.059 718 Y HN 0.111 nan 8.280 nan 0.000 0.420 719 T N 0.747 115.315 114.554 0.024 0.000 2.912 719 T HA 0.077 4.428 4.350 0.001 0.000 0.280 719 T C 1.126 176.006 174.700 0.301 0.000 0.989 719 T CA -0.632 61.559 62.100 0.151 0.000 0.995 719 T CB 1.160 70.074 68.868 0.077 0.000 1.077 719 T HN 0.416 nan 8.240 nan 0.000 0.531 720 L N 1.445 122.840 121.223 0.287 0.000 2.127 720 L HA 0.008 4.348 4.340 0.001 0.000 0.211 720 L C 2.220 179.235 176.870 0.242 0.000 1.089 720 L CA 1.905 56.929 54.840 0.307 0.000 0.757 720 L CB -0.536 41.638 42.059 0.191 0.000 0.899 720 L HN 0.781 nan 8.230 nan 0.000 0.434 721 E N -2.011 118.287 120.200 0.164 0.000 2.158 721 E HA -0.256 4.095 4.350 0.001 0.000 0.191 721 E C 2.091 178.749 176.600 0.096 0.000 0.982 721 E CA 0.778 57.243 56.400 0.109 0.000 0.823 721 E CB -0.283 29.460 29.700 0.073 0.000 0.766 721 E HN 0.620 nan 8.360 nan 0.000 0.468 722 Y N 0.325 120.601 120.300 -0.040 0.000 2.081 722 Y HA -0.347 4.204 4.550 0.001 0.000 0.280 722 Y C 1.633 177.472 175.900 -0.101 0.000 1.163 722 Y CA 2.221 60.233 58.100 -0.147 0.000 1.135 722 Y CB -0.641 37.618 38.460 -0.336 0.000 0.970 722 Y HN 0.134 nan 8.280 nan 0.000 0.498 723 Y N -1.279 119.062 120.300 0.069 0.000 2.242 723 Y HA -0.200 4.350 4.550 0.001 0.000 0.291 723 Y C 2.527 178.403 175.900 -0.040 0.000 1.137 723 Y CA 1.234 59.334 58.100 -0.000 0.000 1.181 723 Y CB -0.579 37.995 38.460 0.190 0.000 0.989 723 Y HN -0.012 nan 8.280 nan 0.000 0.527 724 V N 0.335 120.333 119.914 0.140 0.000 2.261 724 V HA -0.327 3.794 4.120 0.001 0.000 0.246 724 V C 2.329 178.428 176.094 0.008 0.000 1.047 724 V CA 2.089 64.431 62.300 0.069 0.000 1.015 724 V CB -0.575 31.287 31.823 0.065 0.000 0.642 724 V HN 0.291 nan 8.190 nan 0.000 0.446 725 K N -0.617 119.765 120.400 -0.030 0.000 2.032 725 K HA -0.228 4.093 4.320 0.001 0.000 0.209 725 K C 2.147 178.694 176.600 -0.087 0.000 1.048 725 K CA 1.665 57.919 56.287 -0.055 0.000 0.927 725 K CB -0.332 32.130 32.500 -0.063 0.000 0.712 725 K HN 0.245 nan 8.250 nan 0.000 0.441 726 L N 0.927 122.040 121.223 -0.184 0.000 1.989 726 L HA -0.186 4.154 4.340 0.001 0.000 0.211 726 L C 2.205 179.038 176.870 -0.063 0.000 1.071 726 L CA 2.181 56.910 54.840 -0.185 0.000 0.749 726 L CB -0.996 40.843 42.059 -0.367 0.000 0.890 726 L HN 0.257 nan 8.230 nan 0.000 0.431 727 A N -0.878 121.929 122.820 -0.022 0.000 1.873 727 A HA -0.326 3.994 4.320 0.001 0.000 0.218 727 A C 2.454 180.048 177.584 0.016 0.000 1.193 727 A CA 2.312 54.356 52.037 0.012 0.000 0.629 727 A CB -0.715 18.303 19.000 0.031 0.000 0.826 727 A HN 0.456 nan 8.150 nan 0.000 0.447 728 K N -0.771 119.634 120.400 0.007 0.000 2.103 728 K HA -0.213 4.108 4.320 0.001 0.000 0.207 728 K C 2.142 178.753 176.600 0.018 0.000 1.048 728 K CA 1.710 58.005 56.287 0.012 0.000 0.930 728 K CB -0.114 32.389 32.500 0.005 0.000 0.716 728 K HN 0.709 nan 8.250 nan 0.000 0.444 729 E N 0.429 120.635 120.200 0.010 0.000 2.072 729 E HA -0.177 4.174 4.350 0.001 0.000 0.191 729 E C 1.908 178.546 176.600 0.063 0.000 0.985 729 E CA 0.901 57.313 56.400 0.020 0.000 0.801 729 E CB 0.042 29.742 29.700 0.001 0.000 0.750 729 E HN 0.246 nan 8.360 nan 0.000 0.452 730 L N 0.755 122.029 121.223 0.086 0.000 2.093 730 L HA -0.144 4.197 4.340 0.001 0.000 0.208 730 L C 2.654 179.682 176.870 0.262 0.000 1.085 730 L CA 1.299 56.266 54.840 0.211 0.000 0.755 730 L CB -0.393 41.713 42.059 0.078 0.000 0.904 730 L HN 0.246 nan 8.230 nan 0.000 0.435 731 E N 0.587 120.869 120.200 0.135 0.000 2.153 731 E HA -0.276 4.075 4.350 0.001 0.000 0.194 731 E C 2.312 178.942 176.600 0.050 0.000 0.988 731 E CA 1.081 57.538 56.400 0.095 0.000 0.811 731 E CB 0.097 29.832 29.700 0.058 0.000 0.746 731 E HN 0.295 nan 8.360 nan 0.000 0.466 732 R N 0.093 120.618 120.500 0.041 0.000 2.148 732 R HA -0.055 4.286 4.340 0.001 0.000 0.223 732 R C 1.874 178.163 176.300 -0.019 0.000 1.088 732 R CA 0.985 57.090 56.100 0.008 0.000 0.985 732 R CB 0.213 30.518 30.300 0.009 0.000 0.880 732 R HN 0.103 nan 8.270 nan 0.000 0.451 733 E N -0.791 119.408 120.200 -0.001 0.000 2.358 733 E HA 0.006 4.357 4.350 0.001 0.000 0.195 733 E C 0.719 177.160 176.600 -0.265 0.000 1.010 733 E CA 0.946 57.285 56.400 -0.101 0.000 0.856 733 E CB 0.559 30.243 29.700 -0.027 0.000 0.795 733 E HN 0.541 nan 8.360 nan 0.000 0.504 734 G N 1.211 109.901 108.800 -0.182 0.000 2.140 734 G HA2 -0.251 3.710 3.960 0.001 0.000 0.211 734 G HA3 -0.251 3.710 3.960 0.001 0.000 0.211 734 G C -0.047 174.607 174.900 -0.409 0.000 1.013 734 G CA -0.234 44.715 45.100 -0.252 0.000 0.705 734 G HN 0.137 nan 8.290 nan 0.000 0.508 735 F N 0.688 120.544 119.950 -0.157 0.000 2.518 735 F HA 0.339 4.867 4.527 0.001 0.000 0.359 735 F C 1.976 177.685 175.800 -0.152 0.000 1.118 735 F CA 0.115 58.025 58.000 -0.149 0.000 1.287 735 F CB 0.575 39.562 39.000 -0.022 0.000 1.132 735 F HN 0.144 nan 8.300 nan 0.000 0.587 736 H N 2.897 122.122 119.070 0.259 0.000 2.403 736 H HA 0.231 4.788 4.556 0.001 0.000 0.298 736 H C 0.444 175.884 175.328 0.187 0.000 1.059 736 H CA 1.107 57.268 56.048 0.189 0.000 1.363 736 H CB 0.418 30.294 29.762 0.189 0.000 1.410 736 H HN 0.296 nan 8.280 nan 0.000 0.528 737 I N 1.424 122.194 120.570 0.333 0.000 2.582 737 I HA 0.109 4.280 4.170 0.001 0.000 0.292 737 I C -0.871 175.342 176.117 0.160 0.000 1.066 737 I CA -1.060 60.374 61.300 0.223 0.000 1.053 737 I CB 3.190 41.341 38.000 0.251 0.000 1.241 737 I HN -0.099 nan 8.210 nan 0.000 0.421 738 L N 6.191 127.470 121.223 0.094 0.000 2.265 738 L HA 0.672 5.012 4.340 0.001 0.000 0.288 738 L C 0.073 176.969 176.870 0.044 0.000 1.058 738 L CA 0.226 55.090 54.840 0.040 0.000 0.809 738 L CB 0.956 43.032 42.059 0.027 0.000 1.179 738 L HN 0.710 nan 8.230 nan 0.000 0.429 739 A N 6.225 129.051 122.820 0.011 0.000 2.312 739 A HA 0.769 5.090 4.320 0.001 0.000 0.328 739 A C -0.632 176.960 177.584 0.013 0.000 1.158 739 A CA -0.545 51.497 52.037 0.009 0.000 0.821 739 A CB 0.562 19.521 19.000 -0.068 0.000 1.170 739 A HN 0.709 nan 8.150 nan 0.000 0.490 740 I N 1.128 121.717 120.570 0.033 0.000 2.433 740 I HA 0.385 4.556 4.170 0.001 0.000 0.292 740 I C 0.072 176.248 176.117 0.099 0.000 1.001 740 I CA -0.257 61.074 61.300 0.052 0.000 1.119 740 I CB 2.100 40.105 38.000 0.008 0.000 1.289 740 I HN 0.677 nan 8.210 nan 0.000 0.438 741 K N 4.682 125.163 120.400 0.136 0.000 2.579 741 K HA 0.216 4.536 4.320 0.001 0.000 0.225 741 K C -0.991 175.747 176.600 0.230 0.000 0.992 741 K CA -0.534 55.892 56.287 0.231 0.000 1.018 741 K CB 0.595 33.132 32.500 0.061 0.000 1.249 741 K HN 0.464 nan 8.250 nan 0.000 0.489 742 D N 5.471 125.994 120.400 0.205 0.000 2.453 742 D HA -0.006 4.635 4.640 0.001 0.000 0.223 742 D C 1.366 177.778 176.300 0.186 0.000 1.183 742 D CA -0.414 53.691 54.000 0.175 0.000 0.933 742 D CB 0.751 41.592 40.800 0.067 0.000 1.038 742 D HN 0.547 nan 8.370 nan 0.000 0.513 743 M N 1.943 121.638 119.600 0.158 0.000 2.492 743 M HA 0.107 4.588 4.480 0.001 0.000 0.262 743 M C 0.811 176.986 176.300 -0.207 0.000 1.090 743 M CA 0.854 56.192 55.300 0.064 0.000 1.110 743 M CB -0.461 32.145 32.600 0.010 0.000 1.407 743 M HN 0.286 nan 8.290 nan 0.000 0.470 744 A N 0.197 122.982 122.820 -0.058 0.000 2.470 744 A HA 0.568 4.889 4.320 0.001 0.000 0.251 744 A C 1.433 179.001 177.584 -0.027 0.000 1.245 744 A CA 0.340 52.328 52.037 -0.082 0.000 0.932 744 A CB -0.502 18.492 19.000 -0.010 0.000 1.037 744 A HN 0.812 nan 8.150 nan 0.000 0.522 745 G N -0.273 108.548 108.800 0.035 0.000 2.246 745 G HA2 -0.241 3.719 3.960 0.001 0.000 0.273 745 G HA3 -0.241 3.719 3.960 0.001 0.000 0.273 745 G C 0.532 175.499 174.900 0.111 0.000 1.055 745 G CA 0.596 45.724 45.100 0.046 0.000 0.851 745 G HN 0.502 nan 8.290 nan 0.000 0.500 746 L N -1.117 120.224 121.223 0.197 0.000 2.567 746 L HA 0.320 4.661 4.340 0.001 0.000 0.225 746 L C 1.552 178.616 176.870 0.323 0.000 1.119 746 L CA -0.240 54.820 54.840 0.366 0.000 0.871 746 L CB 0.231 42.503 42.059 0.356 0.000 1.036 746 L HN 0.290 nan 8.230 nan 0.000 0.459 747 L N 2.032 123.310 121.223 0.091 0.000 2.415 747 L HA 0.109 4.449 4.340 0.001 0.000 0.269 747 L C 0.511 177.342 176.870 -0.066 0.000 1.244 747 L CA 0.196 54.918 54.840 -0.198 0.000 1.113 747 L CB -0.745 41.063 42.059 -0.419 0.000 1.352 747 L HN -0.019 nan 8.230 nan 0.000 0.433 748 K N 5.665 126.057 120.400 -0.014 0.000 2.527 748 K HA -0.006 4.315 4.320 0.001 0.000 0.278 748 K C -1.328 175.247 176.600 -0.041 0.000 0.981 748 K CA -0.796 55.469 56.287 -0.035 0.000 1.009 748 K CB 0.206 32.634 32.500 -0.121 0.000 0.895 748 K HN 0.341 nan 8.250 nan 0.000 0.493 749 P HA -0.301 nan 4.420 nan 0.000 0.218 749 P C 0.994 178.293 177.300 -0.002 0.000 1.165 749 P CA 1.723 64.812 63.100 -0.018 0.000 0.922 749 P CB 0.226 31.911 31.700 -0.026 0.000 0.794 750 K N 0.211 120.606 120.400 -0.007 0.000 2.097 750 K HA -0.051 4.270 4.320 0.001 0.000 0.206 750 K C 2.143 178.775 176.600 0.053 0.000 1.049 750 K CA 1.731 58.035 56.287 0.027 0.000 0.933 750 K CB -1.332 31.172 32.500 0.006 0.000 0.717 750 K HN 0.035 nan 8.250 nan 0.000 0.442 751 A N 0.112 122.938 122.820 0.009 0.000 2.019 751 A HA -0.020 4.301 4.320 0.001 0.000 0.219 751 A C 2.257 179.804 177.584 -0.062 0.000 1.164 751 A CA 1.879 53.915 52.037 -0.002 0.000 0.644 751 A CB -0.736 18.264 19.000 -0.000 0.000 0.805 751 A HN 0.397 nan 8.150 nan 0.000 0.449 752 A N -1.839 120.940 122.820 -0.068 0.000 1.975 752 A HA 0.069 4.389 4.320 0.001 0.000 0.215 752 A C 2.047 179.612 177.584 -0.032 0.000 1.170 752 A CA 1.271 53.250 52.037 -0.097 0.000 0.656 752 A CB -0.659 18.297 19.000 -0.075 0.000 0.821 752 A HN 0.626 nan 8.150 nan 0.000 0.449 753 Y N 1.053 121.304 120.300 -0.082 0.000 2.114 753 Y HA -0.201 4.349 4.550 0.001 0.000 0.284 753 Y C 2.258 178.126 175.900 -0.053 0.000 1.143 753 Y CA 2.304 60.363 58.100 -0.069 0.000 1.135 753 Y CB -0.254 38.169 38.460 -0.061 0.000 0.980 753 Y HN 0.456 nan 8.280 nan 0.000 0.499 754 E N -0.257 119.927 120.200 -0.025 0.000 2.072 754 E HA -0.205 4.146 4.350 0.001 0.000 0.191 754 E C 2.040 178.577 176.600 -0.105 0.000 0.985 754 E CA 1.186 57.540 56.400 -0.076 0.000 0.801 754 E CB -0.361 29.364 29.700 0.042 0.000 0.750 754 E HN 0.441 nan 8.360 nan 0.000 0.452 755 L N 1.337 122.511 121.223 -0.082 0.000 1.948 755 L HA -0.207 4.133 4.340 0.001 0.000 0.212 755 L C 2.132 178.935 176.870 -0.112 0.000 1.074 755 L CA 1.639 56.431 54.840 -0.081 0.000 0.753 755 L CB -0.554 41.419 42.059 -0.143 0.000 0.888 755 L HN 0.070 nan 8.230 nan 0.000 0.432 756 I N 0.589 121.071 120.570 -0.148 0.000 2.185 756 I HA -0.279 3.892 4.170 0.001 0.000 0.246 756 I C 2.620 178.632 176.117 -0.176 0.000 1.088 756 I CA 1.634 62.844 61.300 -0.150 0.000 1.347 756 I CB -2.410 35.498 38.000 -0.154 0.000 1.041 756 I HN 0.527 nan 8.210 nan 0.000 0.415 757 G N 0.554 109.191 108.800 -0.272 0.000 2.514 757 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 757 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 757 G C 1.536 176.334 174.900 -0.169 0.000 1.198 757 G CA 0.585 45.504 45.100 -0.302 0.000 0.780 757 G HN 0.328 nan 8.290 nan 0.000 0.565 758 E N 0.314 120.438 120.200 -0.127 0.000 2.114 758 E HA -0.127 4.224 4.350 0.001 0.000 0.199 758 E C 2.683 179.260 176.600 -0.039 0.000 1.008 758 E CA 0.896 57.261 56.400 -0.058 0.000 0.810 758 E CB -0.283 29.409 29.700 -0.014 0.000 0.739 758 E HN 0.507 nan 8.360 nan 0.000 0.456 759 L N 0.340 121.535 121.223 -0.046 0.000 2.131 759 L HA -0.078 4.263 4.340 0.001 0.000 0.206 759 L C 2.448 179.297 176.870 -0.034 0.000 1.087 759 L CA 0.682 55.507 54.840 -0.026 0.000 0.767 759 L CB -0.412 41.635 42.059 -0.020 0.000 0.917 759 L HN -0.034 nan 8.230 nan 0.000 0.441 760 K N 0.535 120.901 120.400 -0.057 0.000 2.113 760 K HA -0.184 4.137 4.320 0.001 0.000 0.208 760 K C 2.198 178.774 176.600 -0.041 0.000 1.047 760 K CA 1.980 58.233 56.287 -0.056 0.000 0.928 760 K CB -0.247 32.206 32.500 -0.078 0.000 0.716 760 K HN 0.422 nan 8.250 nan 0.000 0.446 761 S N -0.818 114.858 115.700 -0.040 0.000 2.535 761 S HA 0.203 4.674 4.470 0.001 0.000 0.214 761 S C 1.834 176.424 174.600 -0.015 0.000 0.980 761 S CA 0.315 58.498 58.200 -0.028 0.000 0.907 761 S CB 0.607 63.789 63.200 -0.031 0.000 0.790 761 S HN 0.232 nan 8.310 nan 0.000 0.510 762 A N 1.441 124.253 122.820 -0.012 0.000 1.943 762 A HA 0.571 4.891 4.320 0.001 0.000 0.213 762 A C 1.121 178.706 177.584 0.002 0.000 1.181 762 A CA 0.859 52.895 52.037 -0.001 0.000 0.653 762 A CB -0.388 18.615 19.000 0.005 0.000 0.833 762 A HN 1.102 nan 8.150 nan 0.000 0.451 766 L N 3.853 125.096 121.223 0.034 0.000 2.573 766 L HA 0.145 4.485 4.340 0.001 0.000 0.290 766 L C -1.815 175.067 176.870 0.019 0.000 1.247 766 L CA -0.311 54.559 54.840 0.050 0.000 0.876 766 L CB -0.817 41.285 42.059 0.072 0.000 1.123 766 L HN -0.088 nan 8.230 nan 0.000 0.505 767 P HA 0.125 nan 4.420 nan 0.000 0.269 767 P C -0.508 176.766 177.300 -0.044 0.000 1.209 767 P CA 0.066 63.139 63.100 -0.044 0.000 0.776 767 P CB 0.504 32.161 31.700 -0.071 0.000 0.876 768 I N 2.292 122.813 120.570 -0.081 0.000 2.359 768 I HA 0.251 4.422 4.170 0.001 0.000 0.294 768 I C 0.712 176.779 176.117 -0.083 0.000 0.987 768 I CA -0.394 60.871 61.300 -0.058 0.000 1.225 768 I CB 0.704 38.667 38.000 -0.062 0.000 1.366 768 I HN 0.394 nan 8.210 nan 0.000 0.466 769 H N 6.196 125.194 119.070 -0.119 0.000 2.638 769 H HA 0.481 5.038 4.556 0.001 0.000 0.303 769 H C -1.135 174.139 175.328 -0.091 0.000 1.034 769 H CA -0.956 55.011 56.048 -0.135 0.000 1.225 769 H CB 1.123 30.822 29.762 -0.105 0.000 1.394 769 H HN 0.458 nan 8.280 nan 0.000 0.477 770 L N 5.431 126.704 121.223 0.083 0.000 2.307 770 L HA 0.330 4.671 4.340 0.001 0.000 0.282 770 L C -1.029 175.919 176.870 0.130 0.000 1.051 770 L CA -0.334 54.531 54.840 0.041 0.000 0.804 770 L CB 0.817 42.824 42.059 -0.087 0.000 1.197 770 L HN 0.796 nan 8.230 nan 0.000 0.431 771 H N 2.533 121.631 119.070 0.047 0.000 2.679 771 H HA 0.755 5.312 4.556 0.001 0.000 0.360 771 H C -1.208 174.175 175.328 0.091 0.000 1.105 771 H CA -0.177 55.913 56.048 0.071 0.000 1.196 771 H CB 1.828 31.573 29.762 -0.029 0.000 1.636 771 H HN 0.762 nan 8.280 nan 0.000 0.531 772 T N 2.683 116.907 114.554 -0.550 0.000 2.731 772 T HA 0.323 4.674 4.350 0.001 0.000 0.300 772 T C -1.792 172.583 174.700 -0.542 0.000 1.283 772 T CA -0.721 61.137 62.100 -0.404 0.000 1.005 772 T CB 1.028 69.830 68.868 -0.110 0.000 1.420 772 T HN 0.765 nan 8.240 nan 0.000 0.503 773 H N 1.609 120.504 119.070 -0.292 0.000 2.529 773 H HA 0.269 4.826 4.556 0.001 0.000 0.348 773 H C -0.669 174.549 175.328 -0.183 0.000 1.079 773 H CA -0.519 55.396 56.048 -0.222 0.000 1.198 773 H CB 1.972 31.641 29.762 -0.156 0.000 1.521 773 H HN 0.635 nan 8.280 nan 0.000 0.514 774 D N 2.030 122.377 120.400 -0.089 0.000 2.396 774 D HA -0.071 4.570 4.640 0.001 0.000 0.255 774 D C 1.619 177.889 176.300 -0.049 0.000 1.224 774 D CA 0.320 54.257 54.000 -0.105 0.000 0.894 774 D CB 0.097 40.821 40.800 -0.127 0.000 0.939 774 D HN 0.501 nan 8.370 nan 0.000 0.506 775 T N -1.758 112.785 114.554 -0.018 0.000 2.803 775 T HA -0.200 4.150 4.350 0.001 0.000 0.269 775 T C 1.856 176.528 174.700 -0.047 0.000 1.052 775 T CA 1.956 64.045 62.100 -0.018 0.000 1.136 775 T CB -0.166 68.690 68.868 -0.020 0.000 0.864 775 T HN 0.338 nan 8.240 nan 0.000 0.467 776 S N -0.785 114.868 115.700 -0.078 0.000 2.528 776 S HA 0.348 4.819 4.470 0.001 0.000 0.219 776 S C 1.886 176.466 174.600 -0.032 0.000 0.985 776 S CA 0.891 59.032 58.200 -0.099 0.000 0.914 776 S CB -0.103 63.043 63.200 -0.090 0.000 0.776 776 S HN 0.876 nan 8.310 nan 0.000 0.526 777 G N 1.798 110.580 108.800 -0.031 0.000 2.199 777 G HA2 -0.307 3.654 3.960 0.001 0.000 0.254 777 G HA3 -0.307 3.654 3.960 0.001 0.000 0.254 777 G C 0.478 175.364 174.900 -0.024 0.000 0.982 777 G CA 0.347 45.433 45.100 -0.023 0.000 0.632 777 G HN 0.625 nan 8.290 nan 0.000 0.529 778 N N 0.440 119.130 118.700 -0.015 0.000 2.230 778 N HA 0.324 5.065 4.740 0.001 0.000 0.202 778 N C 2.158 177.624 175.510 -0.073 0.000 1.119 778 N CA 0.413 53.455 53.050 -0.015 0.000 0.851 778 N CB 0.100 38.613 38.487 0.043 0.000 0.990 778 N HN 0.378 nan 8.380 nan 0.000 0.497 779 G N 1.497 110.214 108.800 -0.138 0.000 2.469 779 G HA2 -0.253 3.708 3.960 0.001 0.000 0.219 779 G HA3 -0.253 3.708 3.960 0.001 0.000 0.219 779 G C 1.379 176.046 174.900 -0.388 0.000 1.150 779 G CA 0.689 45.609 45.100 -0.299 0.000 0.763 779 G HN 0.176 nan 8.290 nan 0.000 0.561 780 L N -0.332 120.749 121.223 -0.237 0.000 2.012 780 L HA -0.057 4.284 4.340 0.001 0.000 0.210 780 L C 2.884 179.727 176.870 -0.044 0.000 1.073 780 L CA 0.760 55.526 54.840 -0.124 0.000 0.748 780 L CB -0.464 41.565 42.059 -0.050 0.000 0.891 780 L HN 0.182 nan 8.230 nan 0.000 0.431 781 L N -0.894 120.301 121.223 -0.046 0.000 1.994 781 L HA -0.241 4.100 4.340 0.001 0.000 0.208 781 L C 2.680 179.542 176.870 -0.014 0.000 1.071 781 L CA 1.717 56.539 54.840 -0.029 0.000 0.745 781 L CB -0.461 41.583 42.059 -0.025 0.000 0.892 781 L HN 0.286 nan 8.230 nan 0.000 0.431 782 T N -1.129 113.418 114.554 -0.011 0.000 2.653 782 T HA -0.306 4.045 4.350 0.001 0.000 0.268 782 T C 1.637 176.421 174.700 0.139 0.000 1.035 782 T CA 1.909 64.027 62.100 0.030 0.000 1.154 782 T CB -0.521 68.349 68.868 0.003 0.000 0.862 782 T HN 0.365 nan 8.240 nan 0.000 0.441 783 Y N 1.023 121.279 120.300 -0.072 0.000 2.145 783 Y HA -0.152 4.399 4.550 0.001 0.000 0.286 783 Y C 2.856 178.701 175.900 -0.092 0.000 1.145 783 Y CA 0.778 58.832 58.100 -0.077 0.000 1.148 783 Y CB -0.063 38.358 38.460 -0.065 0.000 0.981 783 Y HN 0.025 nan 8.280 nan 0.000 0.507 784 K N 0.639 121.078 120.400 0.065 0.000 2.001 784 K HA -0.254 4.066 4.320 0.001 0.000 0.214 784 K C 1.840 178.377 176.600 -0.104 0.000 1.050 784 K CA 1.729 57.966 56.287 -0.083 0.000 0.934 784 K CB -0.442 31.968 32.500 -0.151 0.000 0.718 784 K HN 0.308 nan 8.250 nan 0.000 0.443 785 Q N 0.020 119.782 119.800 -0.064 0.000 2.133 785 Q HA -0.164 4.176 4.340 0.001 0.000 0.208 785 Q C 2.118 178.159 176.000 0.069 0.000 0.991 785 Q CA 1.817 57.615 55.803 -0.009 0.000 0.867 785 Q CB -0.528 28.219 28.738 0.015 0.000 0.911 785 Q HN 0.480 nan 8.270 nan 0.000 0.417 786 A N 0.624 123.454 122.820 0.016 0.000 1.908 786 A HA -0.183 4.138 4.320 0.001 0.000 0.218 786 A C 2.180 179.722 177.584 -0.070 0.000 1.181 786 A CA 1.408 53.424 52.037 -0.036 0.000 0.627 786 A CB -0.692 18.262 19.000 -0.076 0.000 0.818 786 A HN 0.347 nan 8.150 nan 0.000 0.445 787 I N -0.213 120.305 120.570 -0.086 0.000 2.202 787 I HA -0.230 3.941 4.170 0.001 0.000 0.242 787 I C 1.912 177.987 176.117 -0.071 0.000 1.091 787 I CA 1.415 62.651 61.300 -0.108 0.000 1.368 787 I CB -0.544 37.377 38.000 -0.132 0.000 1.058 787 I HN 0.197 nan 8.210 nan 0.000 0.410 788 D N 1.360 121.735 120.400 -0.041 0.000 2.149 788 D HA -0.205 4.436 4.640 0.001 0.000 0.194 788 D C 2.025 178.398 176.300 0.122 0.000 1.001 788 D CA 1.745 55.768 54.000 0.039 0.000 0.849 788 D CB -0.215 40.615 40.800 0.050 0.000 0.939 788 D HN 0.388 nan 8.370 nan 0.000 0.449 789 A N -0.780 122.091 122.820 0.085 0.000 2.252 789 A HA 0.416 4.737 4.320 0.001 0.000 0.207 789 A C 1.679 179.181 177.584 -0.136 0.000 1.194 789 A CA 1.075 53.026 52.037 -0.143 0.000 0.809 789 A CB -0.301 18.494 19.000 -0.342 0.000 0.814 789 A HN 0.289 nan 8.150 nan 0.000 0.482 790 G N -1.529 107.217 108.800 -0.090 0.000 2.141 790 G HA2 -0.170 3.791 3.960 0.001 0.000 0.231 790 G HA3 -0.170 3.791 3.960 0.001 0.000 0.231 790 G C 0.407 175.233 174.900 -0.123 0.000 0.984 790 G CA 0.133 45.173 45.100 -0.100 0.000 0.660 790 G HN 1.064 nan 8.290 nan 0.000 0.525 791 V N 0.406 120.239 119.914 -0.135 0.000 3.083 791 V HA 0.161 4.282 4.120 0.001 0.000 0.303 791 V C 1.336 177.318 176.094 -0.187 0.000 1.151 791 V CA 1.543 63.747 62.300 -0.161 0.000 1.275 791 V CB 0.807 32.524 31.823 -0.177 0.000 0.950 791 V HN 0.399 nan 8.190 nan 0.000 0.506 792 D N 3.457 123.726 120.400 -0.218 0.000 2.490 792 D HA 0.248 4.889 4.640 0.001 0.000 0.244 792 D C 0.115 176.202 176.300 -0.356 0.000 0.979 792 D CA 0.870 54.711 54.000 -0.266 0.000 0.924 792 D CB 0.670 41.315 40.800 -0.259 0.000 1.075 792 D HN 0.457 nan 8.370 nan 0.000 0.488 793 I N 1.436 121.739 120.570 -0.445 0.000 2.582 793 I HA 0.345 4.516 4.170 0.001 0.000 0.292 793 I C -0.668 175.165 176.117 -0.473 0.000 1.066 793 I CA -1.105 59.831 61.300 -0.608 0.000 1.053 793 I CB 2.568 39.822 38.000 -1.243 0.000 1.241 793 I HN -0.161 nan 8.210 nan 0.000 0.421 794 I N 0.131 120.475 120.570 -0.376 0.000 2.740 794 I HA 0.667 4.838 4.170 0.001 0.000 0.303 794 I C -1.192 174.868 176.117 -0.095 0.000 1.044 794 I CA -0.666 60.410 61.300 -0.373 0.000 1.064 794 I CB 1.758 39.325 38.000 -0.721 0.000 1.249 794 I HN 0.248 nan 8.210 nan 0.000 0.433 795 D N 2.761 123.195 120.400 0.056 0.000 2.177 795 D HA 0.649 5.290 4.640 0.001 0.000 0.247 795 D C -0.084 176.331 176.300 0.192 0.000 1.063 795 D CA 0.041 54.141 54.000 0.167 0.000 0.867 795 D CB 1.966 42.920 40.800 0.256 0.000 1.168 795 D HN 0.905 nan 8.370 nan 0.000 0.445 796 T N -1.512 113.092 114.554 0.083 0.000 2.654 796 T HA 0.927 5.277 4.350 0.001 0.000 0.289 796 T C -1.040 173.637 174.700 -0.038 0.000 1.062 796 T CA -1.016 61.124 62.100 0.068 0.000 1.041 796 T CB 1.552 70.489 68.868 0.116 0.000 1.417 796 T HN 0.389 nan 8.240 nan 0.000 0.510 797 A N 0.492 123.294 122.820 -0.030 0.000 2.577 797 A HA 0.703 5.024 4.320 0.001 0.000 0.297 797 A C -0.114 177.459 177.584 -0.019 0.000 1.060 797 A CA -0.408 51.580 52.037 -0.081 0.000 0.697 797 A CB 0.972 19.900 19.000 -0.122 0.000 1.281 797 A HN 2.127 nan 8.150 nan 0.000 0.402 798 V N 1.037 120.944 119.914 -0.012 0.000 2.901 798 V HA 0.436 4.556 4.120 0.001 0.000 0.307 798 V C 1.524 177.627 176.094 0.016 0.000 1.084 798 V CA 0.826 63.152 62.300 0.044 0.000 1.184 798 V CB 0.180 32.062 31.823 0.098 0.000 0.941 798 V HN 2.246 nan 8.190 nan 0.000 0.493 799 A N 3.659 126.494 122.820 0.025 0.000 1.896 799 A HA -0.214 4.107 4.320 0.001 0.000 0.220 799 A C 2.405 179.992 177.584 0.006 0.000 1.206 799 A CA 3.101 55.145 52.037 0.011 0.000 0.647 799 A CB -1.381 17.621 19.000 0.003 0.000 0.828 799 A HN 1.993 nan 8.150 nan 0.000 0.455 800 S N -2.086 113.627 115.700 0.022 0.000 2.603 800 S HA 0.110 4.581 4.470 0.001 0.000 0.229 800 S C 1.006 175.629 174.600 0.038 0.000 0.972 800 S CA 1.077 59.301 58.200 0.040 0.000 0.935 800 S CB -0.147 63.096 63.200 0.073 0.000 0.769 800 S HN 0.378 nan 8.310 nan 0.000 0.536 801 M N 2.071 121.668 119.600 -0.006 0.000 2.705 801 M HA 0.330 4.810 4.480 0.001 0.000 0.387 801 M C 0.090 176.348 176.300 -0.071 0.000 1.204 801 M CA -0.031 55.234 55.300 -0.059 0.000 0.905 801 M CB 0.257 32.749 32.600 -0.181 0.000 1.394 801 M HN 0.536 nan 8.290 nan 0.000 0.515 802 S N -1.224 114.449 115.700 -0.045 0.000 2.851 802 S HA 0.950 5.421 4.470 0.001 0.000 0.313 802 S C 0.263 174.836 174.600 -0.044 0.000 1.163 802 S CA 0.038 58.205 58.200 -0.055 0.000 0.850 802 S CB 1.964 65.133 63.200 -0.051 0.000 1.245 802 S HN 0.621 nan 8.310 nan 0.000 0.558 803 G N -0.269 108.495 108.800 -0.059 0.000 2.829 803 G HA2 0.058 4.018 3.960 0.001 0.000 0.628 803 G HA3 0.058 4.018 3.960 0.001 0.000 0.628 803 G C 0.066 174.942 174.900 -0.040 0.000 1.412 803 G CA -0.387 44.683 45.100 -0.051 0.000 0.864 803 G HN 1.790 nan 8.290 nan 0.000 0.544 804 L N -2.456 118.748 121.223 -0.031 0.000 6.328 804 L HA -0.378 3.963 4.340 0.001 0.000 0.053 804 L C 2.762 179.624 176.870 -0.013 0.000 2.032 804 L CA 3.111 57.941 54.840 -0.017 0.000 1.701 804 L CB -1.852 40.201 42.059 -0.009 0.000 2.706 804 L HN 1.806 nan 8.230 nan 0.000 1.012 805 T N -2.655 111.892 114.554 -0.011 0.000 3.098 805 T HA 0.005 4.355 4.350 0.001 0.000 0.266 805 T C 0.905 175.668 174.700 0.105 0.000 1.145 805 T CA 1.052 63.163 62.100 0.019 0.000 1.092 805 T CB 0.028 68.867 68.868 -0.048 0.000 0.908 805 T HN 0.408 nan 8.240 nan 0.000 0.526 806 S N 0.586 116.289 115.700 0.005 0.000 2.607 806 S HA 0.328 4.799 4.470 0.001 0.000 0.272 806 S C 0.344 174.843 174.600 -0.169 0.000 1.166 806 S CA -0.895 57.268 58.200 -0.062 0.000 1.021 806 S CB 0.507 63.664 63.200 -0.072 0.000 1.113 806 S HN 0.424 nan 8.310 nan 0.000 0.531 807 Q N 0.667 120.336 119.800 -0.218 0.000 2.318 807 Q HA 0.400 4.741 4.340 0.001 0.000 0.222 807 Q C -2.491 173.384 176.000 -0.209 0.000 1.003 807 Q CA -2.264 53.382 55.803 -0.261 0.000 0.936 807 Q CB -1.119 27.513 28.738 -0.177 0.000 1.204 807 Q HN 0.346 nan 8.270 nan 0.000 0.524 808 P HA -0.067 nan 4.420 nan 0.000 0.265 808 P C -0.230 177.014 177.300 -0.094 0.000 1.187 808 P CA 0.276 63.216 63.100 -0.266 0.000 0.766 808 P CB 0.406 31.766 31.700 -0.566 0.000 0.820 809 S N 3.093 118.766 115.700 -0.045 0.000 2.481 809 S HA 0.239 4.709 4.470 0.001 0.000 0.282 809 S C 1.577 176.221 174.600 0.073 0.000 1.243 809 S CA 0.026 58.235 58.200 0.015 0.000 1.078 809 S CB -0.265 62.947 63.200 0.019 0.000 0.916 809 S HN 0.455 nan 8.310 nan 0.000 0.495 810 A N 6.182 129.060 122.820 0.097 0.000 1.884 810 A HA -0.229 4.092 4.320 0.001 0.000 0.219 810 A C 2.178 179.851 177.584 0.147 0.000 1.197 810 A CA 2.192 54.313 52.037 0.141 0.000 0.637 810 A CB -1.255 17.844 19.000 0.166 0.000 0.827 810 A HN 0.980 nan 8.150 nan 0.000 0.450 811 N N -0.016 118.753 118.700 0.115 0.000 2.011 811 N HA -0.187 4.554 4.740 0.001 0.000 0.199 811 N C 2.066 177.721 175.510 0.241 0.000 1.047 811 N CA 1.932 55.066 53.050 0.140 0.000 0.863 811 N CB -0.447 38.102 38.487 0.103 0.000 1.056 811 N HN 0.491 nan 8.380 nan 0.000 0.427 812 S N 1.507 117.318 115.700 0.184 0.000 2.369 812 S HA -0.165 4.306 4.470 0.001 0.000 0.225 812 S C 2.030 176.761 174.600 0.217 0.000 1.043 812 S CA 1.006 59.319 58.200 0.189 0.000 1.074 812 S CB -0.614 62.647 63.200 0.100 0.000 0.962 812 S HN 0.218 nan 8.310 nan 0.000 0.433 813 L N 0.790 122.117 121.223 0.174 0.000 2.043 813 L HA -0.157 4.184 4.340 0.001 0.000 0.212 813 L C 1.995 178.965 176.870 0.167 0.000 1.075 813 L CA 1.848 56.785 54.840 0.162 0.000 0.752 813 L CB -1.039 41.122 42.059 0.170 0.000 0.891 813 L HN 0.436 nan 8.230 nan 0.000 0.432 814 Y N -1.186 119.139 120.300 0.043 0.000 2.128 814 Y HA -0.356 4.195 4.550 0.001 0.000 0.284 814 Y C 2.160 177.990 175.900 -0.118 0.000 1.154 814 Y CA 2.274 60.328 58.100 -0.076 0.000 1.149 814 Y CB -0.383 37.951 38.460 -0.210 0.000 0.976 814 Y HN 0.314 nan 8.280 nan 0.000 0.505 815 Y N -0.866 119.598 120.300 0.273 0.000 2.365 815 Y HA 0.042 4.593 4.550 0.001 0.000 0.293 815 Y C 2.553 178.513 175.900 0.101 0.000 1.119 815 Y CA 0.560 58.757 58.100 0.161 0.000 1.203 815 Y CB -0.799 37.772 38.460 0.185 0.000 1.026 815 Y HN 0.187 nan 8.280 nan 0.000 0.549 816 A N 0.193 123.168 122.820 0.257 0.000 2.032 816 A HA -0.174 4.146 4.320 0.001 0.000 0.221 816 A C 1.872 179.597 177.584 0.234 0.000 1.165 816 A CA 1.531 53.688 52.037 0.199 0.000 0.645 816 A CB -0.875 18.211 19.000 0.144 0.000 0.807 816 A HN 0.534 nan 8.150 nan 0.000 0.453 817 L N -0.682 120.643 121.223 0.171 0.000 2.640 817 L HA 0.092 4.433 4.340 0.001 0.000 0.230 817 L C 0.120 177.114 176.870 0.207 0.000 1.123 817 L CA -0.347 54.629 54.840 0.226 0.000 0.900 817 L CB -0.388 41.672 42.059 0.002 0.000 1.146 817 L HN 0.364 nan 8.230 nan 0.000 0.484 818 N N 0.890 119.662 118.700 0.120 0.000 2.454 818 N HA 0.095 4.836 4.740 0.001 0.000 0.260 818 N C 1.078 176.527 175.510 -0.101 0.000 1.218 818 N CA 0.701 53.775 53.050 0.039 0.000 0.904 818 N CB 0.509 39.044 38.487 0.080 0.000 1.065 818 N HN 0.285 nan 8.380 nan 0.000 0.462 819 G N 1.758 110.496 108.800 -0.103 0.000 2.147 819 G HA2 -0.289 3.672 3.960 0.001 0.000 0.244 819 G HA3 -0.289 3.672 3.960 0.001 0.000 0.244 819 G C -0.330 174.311 174.900 -0.430 0.000 1.005 819 G CA -0.176 44.782 45.100 -0.237 0.000 0.713 819 G HN 0.509 nan 8.290 nan 0.000 0.515 820 F N -0.478 119.393 119.950 -0.130 0.000 2.538 820 F HA 0.505 5.033 4.527 0.001 0.000 0.325 820 F C -0.394 175.227 175.800 -0.298 0.000 1.066 820 F CA -2.073 55.821 58.000 -0.177 0.000 0.946 820 F CB 1.843 40.741 39.000 -0.170 0.000 1.199 820 F HN -0.151 nan 8.300 nan 0.000 0.473 821 P HA -0.172 nan 4.420 nan 0.000 0.216 821 P C -0.368 176.829 177.300 -0.172 0.000 1.157 821 P CA 1.589 64.660 63.100 -0.048 0.000 0.880 821 P CB 0.155 31.857 31.700 0.003 0.000 0.791 822 R N -0.485 119.881 120.500 -0.224 0.000 2.514 822 R HA 0.443 4.783 4.340 0.001 0.000 0.301 822 R C 0.447 176.530 176.300 -0.362 0.000 0.962 822 R CA -0.591 55.377 56.100 -0.220 0.000 0.882 822 R CB 1.358 31.588 30.300 -0.117 0.000 1.143 822 R HN 0.294 nan 8.270 nan 0.000 0.452 823 H N 1.170 120.202 119.070 -0.063 0.000 2.676 823 H HA 0.281 4.838 4.556 0.001 0.000 0.352 823 H C -0.640 174.629 175.328 -0.098 0.000 1.193 823 H CA -1.067 54.916 56.048 -0.108 0.000 1.243 823 H CB 1.852 31.529 29.762 -0.141 0.000 1.751 823 H HN 0.122 nan 8.280 nan 0.000 0.567 824 L N 1.732 122.964 121.223 0.014 0.000 2.278 824 L HA 0.143 4.483 4.340 0.001 0.000 0.287 824 L C 0.616 177.546 176.870 0.100 0.000 1.072 824 L CA -0.269 54.599 54.840 0.047 0.000 0.819 824 L CB 0.264 42.377 42.059 0.089 0.000 1.176 824 L HN 0.394 nan 8.230 nan 0.000 0.435 825 R N 3.100 123.652 120.500 0.088 0.000 2.605 825 R HA 0.326 4.667 4.340 0.001 0.000 0.271 825 R C -0.292 176.089 176.300 0.134 0.000 1.418 825 R CA 0.584 56.745 56.100 0.101 0.000 1.102 825 R CB -0.333 30.018 30.300 0.085 0.000 1.131 825 R HN 0.811 nan 8.270 nan 0.000 0.554 826 T N 0.512 115.157 114.554 0.152 0.000 2.661 826 T HA 0.196 4.547 4.350 0.001 0.000 0.305 826 T C -2.076 172.643 174.700 0.033 0.000 1.535 826 T CA -0.709 61.453 62.100 0.103 0.000 1.000 826 T CB 1.002 69.949 68.868 0.132 0.000 1.811 826 T HN 0.431 nan 8.240 nan 0.000 0.471 827 D N 1.010 121.335 120.400 -0.125 0.000 2.346 827 D HA 0.316 4.957 4.640 0.001 0.000 0.255 827 D C 1.242 177.332 176.300 -0.349 0.000 1.276 827 D CA -0.579 53.292 54.000 -0.215 0.000 0.941 827 D CB 0.105 40.795 40.800 -0.183 0.000 1.199 827 D HN 0.459 nan 8.370 nan 0.000 0.537 828 I N 1.507 121.717 120.570 -0.600 0.000 2.264 828 I HA -0.090 4.081 4.170 0.001 0.000 0.248 828 I C 2.066 178.016 176.117 -0.279 0.000 1.111 828 I CA 1.107 62.042 61.300 -0.607 0.000 1.382 828 I CB -0.484 36.944 38.000 -0.953 0.000 1.060 828 I HN 0.342 nan 8.210 nan 0.000 0.418 829 E N 1.102 121.176 120.200 -0.209 0.000 2.106 829 E HA -0.106 4.244 4.350 0.001 0.000 0.192 829 E C 2.420 178.973 176.600 -0.078 0.000 0.984 829 E CA 1.191 57.537 56.400 -0.090 0.000 0.806 829 E CB -0.357 29.305 29.700 -0.064 0.000 0.750 829 E HN 0.599 nan 8.360 nan 0.000 0.458 830 G N 0.493 109.214 108.800 -0.132 0.000 2.403 830 G HA2 -0.254 3.707 3.960 0.001 0.000 0.216 830 G HA3 -0.254 3.707 3.960 0.001 0.000 0.216 830 G C 1.519 176.327 174.900 -0.153 0.000 1.154 830 G CA 0.618 45.636 45.100 -0.137 0.000 0.784 830 G HN 0.208 nan 8.290 nan 0.000 0.538 831 M N 0.327 119.801 119.600 -0.210 0.000 2.159 831 M HA -0.017 4.464 4.480 0.001 0.000 0.263 831 M C 2.396 178.661 176.300 -0.058 0.000 1.063 831 M CA 1.270 56.465 55.300 -0.175 0.000 1.110 831 M CB -0.003 32.479 32.600 -0.198 0.000 1.374 831 M HN 0.087 nan 8.290 nan 0.000 0.411 832 E N -0.511 119.666 120.200 -0.039 0.000 2.077 832 E HA -0.156 4.194 4.350 0.001 0.000 0.193 832 E C 2.145 178.805 176.600 0.101 0.000 0.989 832 E CA 1.418 57.822 56.400 0.006 0.000 0.800 832 E CB -0.473 29.270 29.700 0.072 0.000 0.746 832 E HN 0.479 nan 8.360 nan 0.000 0.452 833 S N 0.797 116.576 115.700 0.131 0.000 2.368 833 S HA -0.076 4.395 4.470 0.001 0.000 0.225 833 S C 2.068 176.780 174.600 0.186 0.000 1.030 833 S CA 0.645 58.953 58.200 0.180 0.000 0.999 833 S CB -0.130 63.117 63.200 0.077 0.000 0.844 833 S HN 0.178 nan 8.310 nan 0.000 0.459 834 L N 0.464 121.770 121.223 0.138 0.000 2.027 834 L HA -0.096 4.245 4.340 0.001 0.000 0.206 834 L C 2.719 179.798 176.870 0.349 0.000 1.074 834 L CA 1.392 56.388 54.840 0.261 0.000 0.745 834 L CB -0.790 41.413 42.059 0.239 0.000 0.898 834 L HN 0.347 nan 8.230 nan 0.000 0.433 835 S N -1.093 114.712 115.700 0.175 0.000 2.374 835 S HA -0.239 4.232 4.470 0.001 0.000 0.227 835 S C 2.026 176.672 174.600 0.077 0.000 1.037 835 S CA 1.231 59.491 58.200 0.099 0.000 1.024 835 S CB -0.316 62.844 63.200 -0.067 0.000 0.861 835 S HN 0.422 nan 8.310 nan 0.000 0.456 836 H N -0.792 118.367 119.070 0.149 0.000 2.319 836 H HA -0.104 4.453 4.556 0.001 0.000 0.299 836 H C 1.981 177.376 175.328 0.111 0.000 1.092 836 H CA 1.899 58.012 56.048 0.108 0.000 1.302 836 H CB -1.050 28.761 29.762 0.081 0.000 1.373 836 H HN 0.651 nan 8.280 nan 0.000 0.497 837 Y N 0.376 120.749 120.300 0.121 0.000 2.049 837 Y HA -0.301 4.249 4.550 0.001 0.000 0.277 837 Y C 2.362 178.214 175.900 -0.080 0.000 1.143 837 Y CA 1.811 59.887 58.100 -0.040 0.000 1.115 837 Y CB -1.005 37.365 38.460 -0.151 0.000 0.975 837 Y HN 0.089 nan 8.280 nan 0.000 0.487 838 W N 0.113 121.429 121.300 0.027 0.000 2.341 838 W HA -0.226 4.435 4.660 0.001 0.000 0.283 838 W C 3.100 179.543 176.519 -0.127 0.000 1.215 838 W CA 1.769 59.059 57.345 -0.092 0.000 1.211 838 W CB -0.685 28.827 29.460 0.088 0.000 1.131 838 W HN 0.194 nan 8.180 nan 0.000 0.552 839 S N -0.467 115.307 115.700 0.123 0.000 2.359 839 S HA -0.198 4.273 4.470 0.001 0.000 0.224 839 S C 1.791 176.360 174.600 -0.051 0.000 1.035 839 S CA 2.193 60.426 58.200 0.055 0.000 1.018 839 S CB -0.627 62.615 63.200 0.071 0.000 0.876 839 S HN 0.196 nan 8.310 nan 0.000 0.448 840 T N 1.189 115.655 114.554 -0.145 0.000 2.904 840 T HA 0.046 4.396 4.350 0.001 0.000 0.267 840 T C 1.783 176.151 174.700 -0.553 0.000 1.059 840 T CA 1.153 63.102 62.100 -0.251 0.000 1.137 840 T CB -0.222 68.528 68.868 -0.197 0.000 0.879 840 T HN 0.259 nan 8.240 nan 0.000 0.467 841 V N 1.290 120.810 119.914 -0.657 0.000 2.453 841 V HA -0.045 4.076 4.120 0.001 0.000 0.247 841 V C 2.567 178.481 176.094 -0.299 0.000 1.048 841 V CA 1.269 63.061 62.300 -0.847 0.000 1.049 841 V CB -0.528 30.822 31.823 -0.789 0.000 0.672 841 V HN 0.325 nan 8.190 nan 0.000 0.457 842 R N -0.013 120.482 120.500 -0.008 0.000 2.170 842 R HA -0.186 4.154 4.340 0.001 0.000 0.242 842 R C 2.217 178.614 176.300 0.162 0.000 1.145 842 R CA 1.963 58.180 56.100 0.194 0.000 0.984 842 R CB -0.372 30.016 30.300 0.147 0.000 0.869 842 R HN 0.497 nan 8.270 nan 0.000 0.455 843 T N -0.089 114.444 114.554 -0.034 0.000 2.833 843 T HA -0.153 4.198 4.350 0.001 0.000 0.269 843 T C 1.157 175.945 174.700 0.146 0.000 1.054 843 T CA 1.345 63.456 62.100 0.020 0.000 1.135 843 T CB -0.262 68.579 68.868 -0.044 0.000 0.869 843 T HN 0.453 nan 8.240 nan 0.000 0.466 844 Y N -0.879 119.483 120.300 0.104 0.000 2.421 844 Y HA -0.050 4.500 4.550 0.001 0.000 0.292 844 Y C 1.140 176.985 175.900 -0.092 0.000 1.136 844 Y CA 0.224 58.322 58.100 -0.002 0.000 1.255 844 Y CB -0.213 38.145 38.460 -0.170 0.000 0.991 844 Y HN 0.289 nan 8.280 nan 0.000 0.552 845 Y N -0.575 119.936 120.300 0.352 0.000 2.683 845 Y HA 0.053 4.604 4.550 0.001 0.000 0.297 845 Y C 2.136 178.137 175.900 0.168 0.000 1.147 845 Y CA -0.170 58.120 58.100 0.316 0.000 1.274 845 Y CB -0.025 38.648 38.460 0.356 0.000 1.143 845 Y HN 0.075 nan 8.280 nan 0.000 0.527 846 S N -0.475 115.329 115.700 0.174 0.000 2.387 846 S HA -0.241 4.230 4.470 0.001 0.000 0.230 846 S C 1.562 176.140 174.600 -0.037 0.000 1.035 846 S CA 1.921 60.171 58.200 0.082 0.000 1.014 846 S CB -0.159 63.085 63.200 0.073 0.000 0.836 846 S HN 0.447 nan 8.310 nan 0.000 0.466 847 D N 0.518 120.777 120.400 -0.235 0.000 2.264 847 D HA 0.009 4.650 4.640 0.001 0.000 0.208 847 D C 0.808 176.786 176.300 -0.536 0.000 0.966 847 D CA 0.920 54.631 54.000 -0.482 0.000 0.864 847 D CB -0.207 40.107 40.800 -0.810 0.000 0.933 847 D HN 0.614 nan 8.370 nan 0.000 0.499 848 F N 0.812 120.748 119.950 -0.022 0.000 2.693 848 F HA 0.134 4.661 4.527 0.001 0.000 0.303 848 F C 1.355 177.165 175.800 0.015 0.000 1.097 848 F CA -0.335 57.663 58.000 -0.003 0.000 1.330 848 F CB 0.286 39.307 39.000 0.037 0.000 1.067 848 F HN -0.350 nan 8.300 nan 0.000 0.565 853 D N 0.886 121.272 120.400 -0.024 0.000 2.133 853 D HA -0.008 4.633 4.640 0.001 0.000 0.195 853 D C 0.645 176.946 176.300 0.002 0.000 0.997 853 D CA 1.540 55.531 54.000 -0.015 0.000 0.840 853 D CB -0.658 40.130 40.800 -0.020 0.000 0.947 853 D HN 0.613 nan 8.370 nan 0.000 0.452 854 I N 1.729 122.297 120.570 -0.003 0.000 2.671 854 I HA -0.083 4.087 4.170 0.001 0.000 0.285 854 I C 1.424 177.556 176.117 0.026 0.000 1.148 854 I CA 0.496 61.816 61.300 0.034 0.000 1.386 854 I CB 0.477 38.477 38.000 0.001 0.000 1.406 854 I HN -0.263 nan 8.210 nan 0.000 0.540 855 K N 4.125 124.544 120.400 0.033 0.000 2.358 855 K HA 0.272 4.593 4.320 0.001 0.000 0.197 855 K C -0.024 176.587 176.600 0.020 0.000 1.025 855 K CA 0.134 56.433 56.287 0.020 0.000 1.104 855 K CB 0.161 32.669 32.500 0.013 0.000 0.855 855 K HN 0.735 nan 8.250 nan 0.000 0.531 856 S N 0.059 115.777 115.700 0.030 0.000 2.578 856 S HA 0.445 4.916 4.470 0.001 0.000 0.272 856 S C -3.096 171.523 174.600 0.031 0.000 1.145 856 S CA -1.294 56.919 58.200 0.022 0.000 0.835 856 S CB 2.054 65.261 63.200 0.013 0.000 1.104 856 S HN -0.156 nan 8.310 nan 0.000 0.458 857 P HA 0.242 nan 4.420 nan 0.000 0.270 857 P C -1.101 176.198 177.300 -0.002 0.000 1.223 857 P CA -0.120 62.984 63.100 0.008 0.000 0.785 857 P CB 0.198 31.893 31.700 -0.009 0.000 0.923 858 N N -0.110 118.578 118.700 -0.021 0.000 2.480 858 N HA 0.180 4.920 4.740 0.001 0.000 0.289 858 N C 0.497 175.904 175.510 -0.172 0.000 1.073 858 N CA -0.343 52.661 53.050 -0.077 0.000 0.885 858 N CB 1.091 39.535 38.487 -0.072 0.000 1.421 858 N HN 0.302 nan 8.380 nan 0.000 0.503 859 T N -0.393 114.055 114.554 -0.177 0.000 3.060 859 T HA 0.095 4.445 4.350 0.001 0.000 0.249 859 T C 1.030 175.556 174.700 -0.290 0.000 1.079 859 T CA 0.268 62.214 62.100 -0.256 0.000 1.013 859 T CB 0.071 68.917 68.868 -0.036 0.000 0.975 859 T HN 0.497 nan 8.240 nan 0.000 0.518 860 E N 1.531 121.578 120.200 -0.256 0.000 2.265 860 E HA -0.048 4.303 4.350 0.001 0.000 0.196 860 E C 1.974 178.177 176.600 -0.660 0.000 0.996 860 E CA 1.030 57.246 56.400 -0.307 0.000 0.832 860 E CB -0.673 28.906 29.700 -0.201 0.000 0.756 860 E HN 0.816 nan 8.360 nan 0.000 0.491 861 I N -1.866 118.288 120.570 -0.693 0.000 2.597 861 I HA -0.314 3.856 4.170 0.001 0.000 0.262 861 I C 1.503 177.365 176.117 -0.425 0.000 1.194 861 I CA 1.517 62.419 61.300 -0.664 0.000 1.437 861 I CB -0.550 37.217 38.000 -0.388 0.000 1.096 861 I HN 0.083 nan 8.210 nan 0.000 0.451 862 Y N 1.240 121.418 120.300 -0.204 0.000 2.523 862 Y HA -0.005 4.545 4.550 0.001 0.000 0.279 862 Y C 2.500 178.350 175.900 -0.082 0.000 1.139 862 Y CA -0.134 57.910 58.100 -0.093 0.000 1.296 862 Y CB 0.032 38.464 38.460 -0.048 0.000 1.045 862 Y HN 0.372 nan 8.280 nan 0.000 0.538 863 Q N -0.118 119.667 119.800 -0.026 0.000 2.240 863 Q HA -0.083 4.258 4.340 0.001 0.000 0.194 863 Q C 1.905 177.914 176.000 0.015 0.000 0.982 863 Q CA 1.326 57.137 55.803 0.013 0.000 0.842 863 Q CB -1.089 27.663 28.738 0.024 0.000 0.941 863 Q HN 0.669 nan 8.270 nan 0.000 0.516 864 H N 1.091 120.177 119.070 0.028 0.000 2.462 864 H HA 0.130 4.687 4.556 0.001 0.000 0.292 864 H C -0.277 175.087 175.328 0.060 0.000 1.049 864 H CA 0.970 57.040 56.048 0.036 0.000 1.334 864 H CB 0.054 29.788 29.762 -0.047 0.000 1.404 864 H HN 0.369 nan 8.280 nan 0.000 0.544 865 E N -0.061 120.212 120.200 0.122 0.000 2.694 865 E HA -0.191 4.160 4.350 0.001 0.000 0.272 865 E C -0.560 176.170 176.600 0.217 0.000 1.040 865 E CA 0.367 56.851 56.400 0.140 0.000 0.809 865 E CB -1.721 28.029 29.700 0.083 0.000 1.389 865 E HN 0.549 nan 8.360 nan 0.000 0.413 866 M N 1.891 121.677 119.600 0.310 0.000 2.217 866 M HA 0.148 4.629 4.480 0.001 0.000 0.352 866 M C -2.024 174.301 176.300 0.042 0.000 1.376 866 M CA -1.505 53.798 55.300 0.005 0.000 1.107 866 M CB 0.527 32.968 32.600 -0.264 0.000 1.723 866 M HN -0.169 nan 8.290 nan 0.000 0.461 867 P HA 0.094 nan 4.420 nan 0.000 0.271 867 P C 0.638 177.836 177.300 -0.170 0.000 1.218 867 P CA 0.126 63.169 63.100 -0.095 0.000 0.780 867 P CB 0.497 32.145 31.700 -0.087 0.000 0.901 868 G N 3.078 111.709 108.800 -0.282 0.000 3.575 868 G HA2 -0.408 3.553 3.960 0.001 0.000 0.292 868 G HA3 -0.408 3.553 3.960 0.001 0.000 0.292 868 G C 1.315 176.027 174.900 -0.312 0.000 1.114 868 G CA 1.549 46.467 45.100 -0.304 0.000 1.087 868 G HN 0.711 nan 8.290 nan 0.000 1.261 869 G N -2.178 106.477 108.800 -0.241 0.000 2.733 869 G HA2 0.007 3.968 3.960 0.001 0.000 0.213 869 G HA3 0.007 3.968 3.960 0.001 0.000 0.213 869 G C 1.403 176.150 174.900 -0.255 0.000 1.351 869 G CA 1.819 46.777 45.100 -0.238 0.000 0.853 869 G HN 0.700 nan 8.290 nan 0.000 0.590 870 Q N -0.573 119.148 119.800 -0.131 0.000 2.500 870 Q HA -0.384 3.957 4.340 0.001 0.000 0.225 870 Q C 2.097 178.054 176.000 -0.070 0.000 2.307 870 Q CA 2.869 58.624 55.803 -0.080 0.000 0.918 870 Q CB -1.292 27.409 28.738 -0.062 0.000 0.784 870 Q HN 0.886 nan 8.270 nan 0.000 0.536 871 Y N -0.233 119.992 120.300 -0.124 0.000 2.639 871 Y HA 0.155 4.706 4.550 0.001 0.000 0.297 871 Y C 2.094 177.965 175.900 -0.048 0.000 1.151 871 Y CA 1.380 59.422 58.100 -0.097 0.000 1.335 871 Y CB -0.509 37.875 38.460 -0.126 0.000 0.994 871 Y HN 0.037 nan 8.280 nan 0.000 0.548 872 S N 0.599 116.207 115.700 -0.154 0.000 2.303 872 S HA -0.121 4.350 4.470 0.001 0.000 0.207 872 S C 1.789 176.375 174.600 -0.025 0.000 1.025 872 S CA 0.789 58.930 58.200 -0.099 0.000 0.953 872 S CB -0.424 62.669 63.200 -0.178 0.000 0.932 872 S HN 0.695 nan 8.310 nan 0.000 0.472 873 N N 1.436 120.123 118.700 -0.023 0.000 2.096 873 N HA -0.209 4.532 4.740 0.001 0.000 0.195 873 N C 1.730 177.279 175.510 0.064 0.000 1.017 873 N CA 1.386 54.448 53.050 0.020 0.000 0.870 873 N CB -0.494 38.009 38.487 0.028 0.000 1.024 873 N HN 0.206 nan 8.380 nan 0.000 0.434 874 L N 1.205 122.488 121.223 0.100 0.000 2.012 874 L HA -0.166 4.174 4.340 0.001 0.000 0.210 874 L C 2.688 179.719 176.870 0.269 0.000 1.073 874 L CA 1.470 56.424 54.840 0.189 0.000 0.748 874 L CB -0.592 41.591 42.059 0.206 0.000 0.891 874 L HN 0.063 nan 8.230 nan 0.000 0.431 875 S N -1.615 114.181 115.700 0.159 0.000 2.383 875 S HA -0.199 4.272 4.470 0.001 0.000 0.227 875 S C 1.939 176.506 174.600 -0.055 0.000 1.026 875 S CA 1.187 59.307 58.200 -0.133 0.000 0.981 875 S CB -0.097 62.744 63.200 -0.599 0.000 0.818 875 S HN 0.546 nan 8.310 nan 0.000 0.472 876 Q N 0.195 119.984 119.800 -0.017 0.000 2.119 876 Q HA -0.123 4.217 4.340 0.001 0.000 0.201 876 Q C 2.318 178.340 176.000 0.037 0.000 0.972 876 Q CA 1.444 57.247 55.803 0.000 0.000 0.847 876 Q CB -0.101 28.640 28.738 0.004 0.000 0.903 876 Q HN 0.610 nan 8.270 nan 0.000 0.433 877 Q N -0.378 119.464 119.800 0.071 0.000 2.062 877 Q HA -0.098 4.243 4.340 0.001 0.000 0.196 877 Q C 2.048 178.111 176.000 0.104 0.000 0.967 877 Q CA 0.964 56.819 55.803 0.088 0.000 0.832 877 Q CB -0.087 28.714 28.738 0.104 0.000 0.899 877 Q HN 0.377 nan 8.270 nan 0.000 0.442 878 A N 1.365 124.277 122.820 0.155 0.000 1.869 878 A HA -0.295 4.026 4.320 0.001 0.000 0.218 878 A C 1.966 179.621 177.584 0.119 0.000 1.203 878 A CA 2.128 54.276 52.037 0.185 0.000 0.638 878 A CB -0.593 18.641 19.000 0.389 0.000 0.831 878 A HN 0.300 nan 8.150 nan 0.000 0.450 879 K N -0.559 119.890 120.400 0.082 0.000 2.211 879 K HA -0.115 4.206 4.320 0.001 0.000 0.204 879 K C 2.411 179.035 176.600 0.039 0.000 1.047 879 K CA 1.313 57.625 56.287 0.043 0.000 0.935 879 K CB -0.152 32.350 32.500 0.005 0.000 0.728 879 K HN 0.507 nan 8.250 nan 0.000 0.452 880 S N 0.351 116.078 115.700 0.046 0.000 2.371 880 S HA -0.009 4.461 4.470 0.001 0.000 0.224 880 S C 1.412 176.040 174.600 0.046 0.000 1.029 880 S CA 0.702 58.928 58.200 0.043 0.000 0.978 880 S CB 0.061 63.289 63.200 0.047 0.000 0.833 880 S HN 0.204 nan 8.310 nan 0.000 0.466 881 L N 1.365 122.622 121.223 0.057 0.000 2.645 881 L HA 0.331 4.671 4.340 0.001 0.000 0.234 881 L C 1.349 178.245 176.870 0.044 0.000 1.165 881 L CA 0.439 55.310 54.840 0.053 0.000 0.944 881 L CB -0.166 41.932 42.059 0.065 0.000 1.149 881 L HN 0.520 nan 8.230 nan 0.000 0.446 882 G N 0.251 109.077 108.800 0.042 0.000 2.176 882 G HA2 -0.285 3.676 3.960 0.001 0.000 0.252 882 G HA3 -0.285 3.676 3.960 0.001 0.000 0.252 882 G C 0.315 175.238 174.900 0.040 0.000 1.024 882 G CA 0.093 45.214 45.100 0.035 0.000 0.755 882 G HN 0.345 nan 8.290 nan 0.000 0.507 883 L N 0.308 121.566 121.223 0.058 0.000 3.218 883 L HA 0.370 4.710 4.340 0.001 0.000 0.279 883 L C 2.286 179.219 176.870 0.105 0.000 1.287 883 L CA 0.239 55.121 54.840 0.071 0.000 1.024 883 L CB 0.228 42.331 42.059 0.073 0.000 1.409 883 L HN 0.244 nan 8.230 nan 0.000 0.580 884 G N 0.175 109.021 108.800 0.078 0.000 2.446 884 G HA2 -0.259 3.702 3.960 0.001 0.000 0.217 884 G HA3 -0.259 3.702 3.960 0.001 0.000 0.217 884 G C 1.261 176.211 174.900 0.083 0.000 1.168 884 G CA 0.689 45.830 45.100 0.068 0.000 0.771 884 G HN 0.341 nan 8.290 nan 0.000 0.551 885 E N -0.512 119.727 120.200 0.065 0.000 2.435 885 E HA 0.155 4.506 4.350 0.001 0.000 0.195 885 E C 2.304 178.950 176.600 0.078 0.000 1.029 885 E CA 0.096 56.532 56.400 0.060 0.000 0.865 885 E CB 0.155 29.876 29.700 0.036 0.000 0.833 885 E HN 0.283 nan 8.360 nan 0.000 0.510 886 R N -0.786 119.767 120.500 0.088 0.000 2.388 886 R HA 0.139 4.479 4.340 0.001 0.000 0.247 886 R C 0.883 177.233 176.300 0.083 0.000 0.931 886 R CA -0.236 55.905 56.100 0.067 0.000 1.082 886 R CB -0.039 30.282 30.300 0.035 0.000 1.135 886 R HN 0.144 nan 8.270 nan 0.000 0.525 887 F N 1.928 121.874 119.950 -0.007 0.000 2.236 887 F HA -0.254 4.274 4.527 0.001 0.000 0.302 887 F C 1.336 177.124 175.800 -0.020 0.000 1.073 887 F CA 1.647 59.639 58.000 -0.014 0.000 1.336 887 F CB 0.219 39.206 39.000 -0.021 0.000 1.040 887 F HN 0.093 nan 8.300 nan 0.000 0.507 888 D N 0.078 120.503 120.400 0.042 0.000 2.144 888 D HA -0.194 4.447 4.640 0.001 0.000 0.199 888 D C 1.868 178.112 176.300 -0.094 0.000 0.984 888 D CA 1.495 55.483 54.000 -0.020 0.000 0.834 888 D CB -0.485 40.334 40.800 0.032 0.000 0.955 888 D HN 0.512 nan 8.370 nan 0.000 0.465 889 E N 0.527 120.679 120.200 -0.081 0.000 2.158 889 E HA -0.063 4.288 4.350 0.001 0.000 0.191 889 E C 2.416 178.938 176.600 -0.131 0.000 0.982 889 E CA 0.203 56.558 56.400 -0.076 0.000 0.823 889 E CB 0.241 29.917 29.700 -0.040 0.000 0.766 889 E HN 0.061 nan 8.360 nan 0.000 0.468 890 V N 1.794 121.571 119.914 -0.228 0.000 2.261 890 V HA -0.304 3.817 4.120 0.001 0.000 0.246 890 V C 2.202 178.090 176.094 -0.343 0.000 1.047 890 V CA 1.767 63.887 62.300 -0.301 0.000 1.015 890 V CB -0.503 31.054 31.823 -0.444 0.000 0.642 890 V HN 0.184 nan 8.190 nan 0.000 0.446 891 K N -0.205 119.859 120.400 -0.560 0.000 2.032 891 K HA -0.326 3.995 4.320 0.001 0.000 0.218 891 K C 2.088 178.631 176.600 -0.096 0.000 1.054 891 K CA 2.306 58.373 56.287 -0.367 0.000 0.941 891 K CB -0.542 31.790 32.500 -0.280 0.000 0.720 891 K HN 0.473 nan 8.250 nan 0.000 0.449 892 D N 0.559 120.914 120.400 -0.076 0.000 2.116 892 D HA -0.188 4.452 4.640 0.001 0.000 0.193 892 D C 1.828 178.132 176.300 0.007 0.000 0.998 892 D CA 1.415 55.411 54.000 -0.006 0.000 0.836 892 D CB -0.035 40.758 40.800 -0.012 0.000 0.951 892 D HN 0.011 nan 8.370 nan 0.000 0.449 893 M N -0.813 118.772 119.600 -0.024 0.000 2.374 893 M HA -0.081 4.400 4.480 0.001 0.000 0.264 893 M C 1.667 177.938 176.300 -0.048 0.000 1.067 893 M CA 0.856 56.138 55.300 -0.030 0.000 1.103 893 M CB -0.559 32.018 32.600 -0.039 0.000 1.402 893 M HN 0.165 nan 8.290 nan 0.000 0.444 894 Y N -0.025 120.191 120.300 -0.141 0.000 2.089 894 Y HA -0.299 4.252 4.550 0.001 0.000 0.282 894 Y C 2.627 178.442 175.900 -0.142 0.000 1.139 894 Y CA 2.456 60.461 58.100 -0.159 0.000 1.123 894 Y CB -0.256 38.093 38.460 -0.186 0.000 0.980 894 Y HN 0.222 nan 8.280 nan 0.000 0.493 895 R N 0.308 120.880 120.500 0.120 0.000 2.105 895 R HA -0.179 4.162 4.340 0.001 0.000 0.239 895 R C 2.349 178.629 176.300 -0.033 0.000 1.135 895 R CA 1.676 57.800 56.100 0.040 0.000 0.967 895 R CB -0.178 30.201 30.300 0.132 0.000 0.861 895 R HN 0.306 nan 8.270 nan 0.000 0.442 896 R N -0.172 120.338 120.500 0.015 0.000 2.070 896 R HA -0.091 4.250 4.340 0.001 0.000 0.232 896 R C 2.333 178.594 176.300 -0.065 0.000 1.138 896 R CA 1.698 57.829 56.100 0.051 0.000 0.936 896 R CB -0.725 29.596 30.300 0.036 0.000 0.839 896 R HN 0.112 nan 8.270 nan 0.000 0.429 897 V N 2.734 122.507 119.914 -0.235 0.000 2.370 897 V HA -0.348 3.772 4.120 0.001 0.000 0.252 897 V C 2.401 178.130 176.094 -0.608 0.000 1.068 897 V CA 2.041 64.038 62.300 -0.504 0.000 1.061 897 V CB -0.887 30.511 31.823 -0.708 0.000 0.656 897 V HN 0.509 nan 8.190 nan 0.000 0.455 898 N N 0.117 118.509 118.700 -0.513 0.000 2.037 898 N HA -0.247 4.494 4.740 0.001 0.000 0.196 898 N C 1.930 177.279 175.510 -0.269 0.000 1.034 898 N CA 2.333 55.105 53.050 -0.464 0.000 0.861 898 N CB -0.304 37.852 38.487 -0.552 0.000 1.039 898 N HN 0.527 nan 8.380 nan 0.000 0.427 899 F N 0.538 120.460 119.950 -0.047 0.000 2.325 899 F HA -0.051 4.476 4.527 0.001 0.000 0.299 899 F C 2.369 178.207 175.800 0.063 0.000 1.090 899 F CA 0.000 58.011 58.000 0.019 0.000 1.392 899 F CB -0.131 38.876 39.000 0.011 0.000 1.053 899 F HN 0.079 nan 8.300 nan 0.000 0.521 900 L N -0.848 120.498 121.223 0.204 0.000 2.083 900 L HA -0.167 4.173 4.340 0.001 0.000 0.209 900 L C 1.541 178.695 176.870 0.473 0.000 1.083 900 L CA 1.599 56.584 54.840 0.242 0.000 0.752 900 L CB -0.556 41.585 42.059 0.137 0.000 0.899 900 L HN -0.024 nan 8.230 nan 0.000 0.433 901 F N 0.269 120.295 119.950 0.127 0.000 2.797 901 F HA 0.359 4.887 4.527 0.001 0.000 0.302 901 F C 1.869 177.753 175.800 0.141 0.000 1.130 901 F CA 0.032 58.138 58.000 0.177 0.000 1.387 901 F CB -0.844 38.203 39.000 0.079 0.000 1.107 901 F HN 0.207 nan 8.300 nan 0.000 0.577 902 G N 0.906 109.889 108.800 0.306 0.000 2.131 902 G HA2 -0.265 3.696 3.960 0.001 0.000 0.223 902 G HA3 -0.265 3.696 3.960 0.001 0.000 0.223 902 G C -0.109 174.898 174.900 0.177 0.000 0.990 902 G CA -0.025 45.197 45.100 0.203 0.000 0.671 902 G HN 0.430 nan 8.290 nan 0.000 0.521 903 D N -0.881 119.612 120.400 0.154 0.000 4.161 903 D HA -0.123 4.517 4.640 0.001 0.000 0.246 903 D C 0.340 176.736 176.300 0.159 0.000 1.064 903 D CA 1.519 55.560 54.000 0.069 0.000 1.187 903 D CB -1.298 39.644 40.800 0.238 0.000 0.871 903 D HN 1.766 nan 8.370 nan 0.000 0.413 904 I N -1.180 119.417 120.570 0.046 0.000 2.648 904 I HA 0.719 4.890 4.170 0.001 0.000 0.304 904 I C 0.341 176.412 176.117 -0.076 0.000 1.009 904 I CA -1.348 59.988 61.300 0.060 0.000 1.114 904 I CB 1.801 39.839 38.000 0.063 0.000 1.293 904 I HN -0.013 nan 8.210 nan 0.000 0.449 905 V N 4.074 123.941 119.914 -0.078 0.000 2.673 905 V HA 0.037 4.158 4.120 0.001 0.000 0.303 905 V C 0.523 176.586 176.094 -0.052 0.000 1.046 905 V CA 0.165 62.386 62.300 -0.131 0.000 1.126 905 V CB 0.464 32.269 31.823 -0.030 0.000 0.934 905 V HN 0.695 nan 8.190 nan 0.000 0.487 906 K N 4.177 124.550 120.400 -0.045 0.000 2.724 906 K HA 0.402 4.722 4.320 0.001 0.000 0.198 906 K C -0.433 176.192 176.600 0.042 0.000 1.099 906 K CA -0.279 56.005 56.287 -0.005 0.000 1.025 906 K CB 0.923 33.430 32.500 0.011 0.000 1.509 906 K HN 0.618 nan 8.250 nan 0.000 0.564 907 V N -2.108 117.854 119.914 0.079 0.000 3.438 907 V HA 0.410 4.531 4.120 0.001 0.000 0.298 907 V C 0.754 176.925 176.094 0.128 0.000 1.148 907 V CA -0.983 61.386 62.300 0.115 0.000 0.994 907 V CB 1.299 33.252 31.823 0.217 0.000 1.236 907 V HN 0.168 nan 8.190 nan 0.000 0.455 908 T N 1.684 116.336 114.554 0.163 0.000 2.913 908 T HA 0.389 4.739 4.350 0.001 0.000 0.287 908 T C -1.807 173.006 174.700 0.187 0.000 1.008 908 T CA -1.104 61.086 62.100 0.151 0.000 1.067 908 T CB 1.221 70.171 68.868 0.137 0.000 0.996 908 T HN 0.782 nan 8.240 nan 0.000 0.513 909 P HA 0.120 nan 4.420 nan 0.000 0.257 909 P C 0.856 178.187 177.300 0.051 0.000 1.325 909 P CA 0.100 63.256 63.100 0.093 0.000 0.850 909 P CB -0.020 31.733 31.700 0.089 0.000 1.324 910 S N -0.763 114.958 115.700 0.036 0.000 2.558 910 S HA -0.022 4.449 4.470 0.001 0.000 0.217 910 S C 1.709 176.256 174.600 -0.089 0.000 0.975 910 S CA 0.688 58.850 58.200 -0.064 0.000 0.912 910 S CB -0.869 62.301 63.200 -0.051 0.000 0.776 910 S HN 0.201 nan 8.310 nan 0.000 0.526 911 S N 1.285 116.987 115.700 0.004 0.000 2.458 911 S HA 0.180 4.651 4.470 0.001 0.000 0.223 911 S C 1.702 176.351 174.600 0.082 0.000 1.019 911 S CA 0.334 58.568 58.200 0.057 0.000 0.937 911 S CB -0.360 62.902 63.200 0.103 0.000 0.788 911 S HN 0.570 nan 8.310 nan 0.000 0.511 912 K N 1.461 121.895 120.400 0.058 0.000 2.103 912 K HA 0.028 4.349 4.320 0.001 0.000 0.204 912 K C 1.827 178.446 176.600 0.032 0.000 1.052 912 K CA 0.967 57.296 56.287 0.069 0.000 0.945 912 K CB -0.302 32.242 32.500 0.073 0.000 0.722 912 K HN 0.243 nan 8.250 nan 0.000 0.443 913 V N 0.805 120.703 119.914 -0.026 0.000 2.220 913 V HA -0.270 3.851 4.120 0.001 0.000 0.246 913 V C 2.291 178.340 176.094 -0.074 0.000 1.049 913 V CA 1.835 64.105 62.300 -0.050 0.000 1.003 913 V CB -0.376 31.317 31.823 -0.217 0.000 0.634 913 V HN 0.152 nan 8.190 nan 0.000 0.444 914 V N 0.816 120.595 119.914 -0.226 0.000 2.490 914 V HA -0.181 3.940 4.120 0.001 0.000 0.250 914 V C 2.592 178.407 176.094 -0.465 0.000 1.061 914 V CA 1.987 63.983 62.300 -0.507 0.000 1.064 914 V CB -1.527 29.849 31.823 -0.746 0.000 0.670 914 V HN 0.638 nan 8.190 nan 0.000 0.461 915 G N -0.035 108.720 108.800 -0.075 0.000 2.514 915 G HA2 -0.298 3.663 3.960 0.001 0.000 0.217 915 G HA3 -0.298 3.663 3.960 0.001 0.000 0.217 915 G C 1.304 176.262 174.900 0.097 0.000 1.198 915 G CA 1.181 46.403 45.100 0.204 0.000 0.780 915 G HN 0.487 nan 8.290 nan 0.000 0.565 916 D N -0.057 120.388 120.400 0.074 0.000 2.144 916 D HA -0.067 4.574 4.640 0.001 0.000 0.199 916 D C 2.583 178.965 176.300 0.136 0.000 0.984 916 D CA 0.627 54.691 54.000 0.107 0.000 0.834 916 D CB -0.155 40.705 40.800 0.099 0.000 0.955 916 D HN 0.117 nan 8.370 nan 0.000 0.465 917 M N 0.772 120.423 119.600 0.086 0.000 2.067 917 M HA -0.117 4.364 4.480 0.001 0.000 0.260 917 M C 2.361 178.727 176.300 0.109 0.000 1.069 917 M CA 0.925 56.304 55.300 0.132 0.000 1.117 917 M CB -0.951 31.657 32.600 0.013 0.000 1.334 917 M HN -0.062 nan 8.290 nan 0.000 0.407 918 A N 0.324 123.128 122.820 -0.025 0.000 1.873 918 A HA -0.214 4.106 4.320 0.001 0.000 0.218 918 A C 2.100 179.712 177.584 0.047 0.000 1.193 918 A CA 1.558 53.586 52.037 -0.015 0.000 0.629 918 A CB -1.101 17.883 19.000 -0.027 0.000 0.826 918 A HN 0.410 nan 8.150 nan 0.000 0.447 919 L N -1.719 119.555 121.223 0.084 0.000 2.043 919 L HA -0.200 4.141 4.340 0.001 0.000 0.212 919 L C 2.363 179.312 176.870 0.131 0.000 1.075 919 L CA 2.362 57.262 54.840 0.101 0.000 0.752 919 L CB -1.273 40.862 42.059 0.126 0.000 0.891 919 L HN 0.632 nan 8.230 nan 0.000 0.432 920 Y N -1.544 118.792 120.300 0.060 0.000 2.314 920 Y HA -0.188 4.363 4.550 0.001 0.000 0.293 920 Y C 2.581 178.522 175.900 0.068 0.000 1.129 920 Y CA 1.603 59.748 58.100 0.074 0.000 1.201 920 Y CB -0.033 38.499 38.460 0.121 0.000 0.999 920 Y HN 0.163 nan 8.280 nan 0.000 0.541 921 M N -1.451 118.200 119.600 0.084 0.000 2.236 921 M HA -0.119 4.362 4.480 0.001 0.000 0.266 921 M C 1.792 178.053 176.300 -0.065 0.000 1.070 921 M CA 1.023 56.327 55.300 0.007 0.000 1.137 921 M CB -0.011 32.647 32.600 0.097 0.000 1.378 921 M HN 0.160 nan 8.290 nan 0.000 0.426 922 V N 0.052 119.942 119.914 -0.041 0.000 2.548 922 V HA -0.250 3.870 4.120 0.001 0.000 0.249 922 V C 2.171 178.223 176.094 -0.069 0.000 1.055 922 V CA 1.838 64.110 62.300 -0.046 0.000 1.065 922 V CB -0.619 31.184 31.823 -0.033 0.000 0.681 922 V HN 0.583 nan 8.190 nan 0.000 0.462 923 Q N 0.583 120.327 119.800 -0.093 0.000 2.079 923 Q HA -0.195 4.146 4.340 0.001 0.000 0.200 923 Q C 1.332 177.231 176.000 -0.168 0.000 0.974 923 Q CA 2.070 57.809 55.803 -0.108 0.000 0.840 923 Q CB -0.043 28.642 28.738 -0.087 0.000 0.898 923 Q HN 0.700 nan 8.270 nan 0.000 0.430 924 N N 0.681 119.207 118.700 -0.290 0.000 2.295 924 N HA 0.057 4.798 4.740 0.001 0.000 0.221 924 N C -1.185 174.226 175.510 -0.165 0.000 1.129 924 N CA 0.194 53.076 53.050 -0.279 0.000 0.836 924 N CB 0.687 38.877 38.487 -0.494 0.000 1.040 924 N HN 0.154 nan 8.380 nan 0.000 0.494 925 D N 0.475 120.806 120.400 -0.115 0.000 2.708 925 D HA -0.172 4.468 4.640 0.001 0.000 0.236 925 D C -0.954 175.319 176.300 -0.045 0.000 1.146 925 D CA 0.767 54.729 54.000 -0.064 0.000 0.662 925 D CB -0.862 39.910 40.800 -0.047 0.000 1.059 925 D HN 0.348 nan 8.370 nan 0.000 0.428 926 L N 0.079 121.276 121.223 -0.043 0.000 2.343 926 L HA 0.456 4.797 4.340 0.001 0.000 0.275 926 L C 1.108 177.992 176.870 0.024 0.000 1.056 926 L CA -0.745 54.097 54.840 0.002 0.000 0.804 926 L CB 1.152 43.233 42.059 0.036 0.000 1.203 926 L HN -0.145 nan 8.230 nan 0.000 0.440 927 D N 0.093 120.514 120.400 0.036 0.000 2.511 927 D HA 0.120 4.761 4.640 0.001 0.000 0.276 927 D C 0.753 177.084 176.300 0.051 0.000 1.220 927 D CA -0.410 53.611 54.000 0.035 0.000 1.077 927 D CB 0.875 41.694 40.800 0.031 0.000 1.126 927 D HN 0.469 nan 8.370 nan 0.000 0.583 928 E N -0.592 119.636 120.200 0.045 0.000 2.072 928 E HA -0.128 4.222 4.350 0.001 0.000 0.190 928 E C 1.434 178.070 176.600 0.059 0.000 0.982 928 E CA 1.243 57.676 56.400 0.054 0.000 0.803 928 E CB 0.199 29.927 29.700 0.047 0.000 0.755 928 E HN 0.176 nan 8.360 nan 0.000 0.453 929 Q N -0.978 118.852 119.800 0.050 0.000 2.302 929 Q HA 0.076 4.417 4.340 0.001 0.000 0.202 929 Q C 1.869 177.903 176.000 0.056 0.000 0.936 929 Q CA 1.104 56.936 55.803 0.048 0.000 0.886 929 Q CB 0.242 29.002 28.738 0.038 0.000 0.986 929 Q HN 0.267 nan 8.270 nan 0.000 0.487 930 S N -1.355 114.381 115.700 0.059 0.000 2.593 930 S HA 0.042 4.513 4.470 0.001 0.000 0.217 930 S C 1.648 176.307 174.600 0.098 0.000 0.966 930 S CA 0.117 58.357 58.200 0.066 0.000 0.914 930 S CB 0.019 63.248 63.200 0.049 0.000 0.776 930 S HN 0.077 nan 8.310 nan 0.000 0.523 931 V N 1.720 121.706 119.914 0.120 0.000 2.427 931 V HA -0.061 4.060 4.120 0.001 0.000 0.248 931 V C 2.258 178.448 176.094 0.160 0.000 1.051 931 V CA 1.633 64.050 62.300 0.195 0.000 1.048 931 V CB -0.557 31.374 31.823 0.181 0.000 0.666 931 V HN 0.542 nan 8.190 nan 0.000 0.456 932 I N -0.742 119.876 120.570 0.080 0.000 2.188 932 I HA -0.161 4.010 4.170 0.001 0.000 0.237 932 I C 2.562 178.722 176.117 0.071 0.000 1.073 932 I CA 1.515 62.838 61.300 0.038 0.000 1.359 932 I CB -0.957 37.060 38.000 0.028 0.000 1.083 932 I HN 0.207 nan 8.210 nan 0.000 0.412 933 T N 0.739 115.343 114.554 0.083 0.000 2.564 933 T HA -0.265 4.085 4.350 0.001 0.000 0.264 933 T C 1.332 176.102 174.700 0.117 0.000 1.100 933 T CA 2.213 64.370 62.100 0.096 0.000 1.171 933 T CB -0.377 68.533 68.868 0.070 0.000 0.863 933 T HN 0.294 nan 8.240 nan 0.000 0.430 934 D N 0.096 120.555 120.400 0.098 0.000 2.340 934 D HA 0.184 4.824 4.640 0.001 0.000 0.220 934 D C 2.064 178.412 176.300 0.081 0.000 1.039 934 D CA 0.440 54.492 54.000 0.086 0.000 0.866 934 D CB -0.684 40.149 40.800 0.055 0.000 0.913 934 D HN 0.462 nan 8.370 nan 0.000 0.523 935 G N 0.711 109.562 108.800 0.084 0.000 2.529 935 G HA2 -0.339 3.622 3.960 0.001 0.000 0.219 935 G HA3 -0.339 3.622 3.960 0.001 0.000 0.219 935 G C 1.223 176.082 174.900 -0.068 0.000 1.177 935 G CA 0.673 45.798 45.100 0.042 0.000 0.773 935 G HN 0.328 nan 8.290 nan 0.000 0.573 936 Y N 1.733 122.064 120.300 0.052 0.000 2.538 936 Y HA -0.126 4.424 4.550 0.001 0.000 0.287 936 Y C 2.719 178.611 175.900 -0.013 0.000 1.157 936 Y CA 1.623 59.734 58.100 0.019 0.000 1.338 936 Y CB 0.040 38.507 38.460 0.011 0.000 0.970 936 Y HN 0.421 nan 8.280 nan 0.000 0.564 937 K N -0.835 119.609 120.400 0.074 0.000 2.348 937 K HA 0.132 4.453 4.320 0.001 0.000 0.194 937 K C 1.482 178.040 176.600 -0.070 0.000 1.052 937 K CA 0.369 56.664 56.287 0.012 0.000 1.004 937 K CB -0.285 32.227 32.500 0.020 0.000 0.873 937 K HN 0.284 nan 8.250 nan 0.000 0.523 938 L N 1.644 122.763 121.223 -0.174 0.000 2.072 938 L HA -0.081 4.260 4.340 0.001 0.000 0.205 938 L C -0.089 176.565 176.870 -0.360 0.000 1.079 938 L CA 0.981 55.633 54.840 -0.313 0.000 0.752 938 L CB -0.743 40.955 42.059 -0.602 0.000 0.906 938 L HN 0.379 nan 8.230 nan 0.000 0.436 939 D N -0.496 119.654 120.400 -0.418 0.000 3.908 939 D HA -0.231 4.410 4.640 0.001 0.000 0.237 939 D C -0.389 175.687 176.300 -0.373 0.000 1.091 939 D CA 0.252 54.093 54.000 -0.264 0.000 1.147 939 D CB -0.912 39.817 40.800 -0.117 0.000 0.857 939 D HN -0.018 nan 8.370 nan 0.000 0.410 940 F N 2.166 121.976 119.950 -0.232 0.000 2.368 940 F HA 0.506 5.034 4.527 0.001 0.000 0.308 940 F C -0.988 174.585 175.800 -0.378 0.000 1.198 940 F CA -1.666 56.053 58.000 -0.468 0.000 1.130 940 F CB 0.111 38.932 39.000 -0.299 0.000 1.300 940 F HN 0.113 nan 8.300 nan 0.000 0.537 941 P HA 0.027 nan 4.420 nan 0.000 0.268 941 P C 0.455 177.760 177.300 0.009 0.000 1.204 941 P CA 0.114 63.163 63.100 -0.084 0.000 0.768 941 P CB 0.580 32.257 31.700 -0.038 0.000 0.842 942 E N 1.646 121.855 120.200 0.015 0.000 2.108 942 E HA -0.261 4.090 4.350 0.001 0.000 0.203 942 E C 1.864 178.492 176.600 0.046 0.000 1.022 942 E CA 2.444 58.861 56.400 0.027 0.000 0.823 942 E CB -0.494 29.221 29.700 0.026 0.000 0.744 942 E HN 0.615 nan 8.360 nan 0.000 0.456 943 S N 0.340 116.075 115.700 0.058 0.000 2.370 943 S HA -0.149 4.321 4.470 0.001 0.000 0.226 943 S C 2.274 176.936 174.600 0.103 0.000 1.033 943 S CA 1.658 59.902 58.200 0.073 0.000 1.011 943 S CB -0.754 62.488 63.200 0.070 0.000 0.852 943 S HN 0.070 nan 8.310 nan 0.000 0.457 944 V N 2.253 122.240 119.914 0.122 0.000 2.229 944 V HA -0.133 3.988 4.120 0.001 0.000 0.243 944 V C 2.727 178.944 176.094 0.206 0.000 1.042 944 V CA 1.592 64.009 62.300 0.194 0.000 1.000 944 V CB -1.197 30.752 31.823 0.210 0.000 0.637 944 V HN 0.553 nan 8.190 nan 0.000 0.446 945 V N -0.101 119.883 119.914 0.117 0.000 2.317 945 V HA -0.329 3.792 4.120 0.001 0.000 0.251 945 V C 2.579 178.691 176.094 0.030 0.000 1.065 945 V CA 3.074 65.409 62.300 0.058 0.000 1.049 945 V CB -0.628 31.202 31.823 0.011 0.000 0.651 945 V HN 0.630 nan 8.190 nan 0.000 0.450 946 S N -0.727 114.995 115.700 0.037 0.000 2.359 946 S HA -0.275 4.195 4.470 0.001 0.000 0.224 946 S C 1.891 176.492 174.600 0.001 0.000 1.035 946 S CA 2.094 60.298 58.200 0.006 0.000 1.018 946 S CB -0.835 62.380 63.200 0.025 0.000 0.876 946 S HN 0.841 nan 8.310 nan 0.000 0.448 947 F N 0.648 120.520 119.950 -0.129 0.000 2.095 947 F HA -0.096 4.432 4.527 0.001 0.000 0.298 947 F C 1.620 177.185 175.800 -0.391 0.000 1.104 947 F CA 1.782 59.647 58.000 -0.226 0.000 1.232 947 F CB -0.339 38.479 39.000 -0.303 0.000 0.987 947 F HN 0.285 nan 8.300 nan 0.000 0.475 948 F N 0.683 120.270 119.950 -0.604 0.000 2.604 948 F HA -0.013 4.515 4.527 0.001 0.000 0.298 948 F C 1.994 177.242 175.800 -0.921 0.000 1.131 948 F CA 0.800 58.133 58.000 -1.112 0.000 1.457 948 F CB -0.326 38.202 39.000 -0.788 0.000 1.095 948 F HN -0.142 nan 8.300 nan 0.000 0.574 949 K N -0.079 120.093 120.400 -0.379 0.000 2.432 949 K HA 0.093 4.414 4.320 0.001 0.000 0.196 949 K C 1.460 177.888 176.600 -0.287 0.000 1.038 949 K CA 0.683 56.791 56.287 -0.299 0.000 0.986 949 K CB -0.218 32.164 32.500 -0.197 0.000 0.782 949 K HN 0.302 nan 8.250 nan 0.000 0.485 950 G N 1.922 110.537 108.800 -0.309 0.000 2.160 950 G HA2 -0.277 3.684 3.960 0.001 0.000 0.244 950 G HA3 -0.277 3.684 3.960 0.001 0.000 0.244 950 G C 0.245 175.092 174.900 -0.088 0.000 1.022 950 G CA 0.296 45.315 45.100 -0.136 0.000 0.741 950 G HN 0.438 nan 8.290 nan 0.000 0.508 951 E N -0.928 119.220 120.200 -0.088 0.000 2.511 951 E HA 0.192 4.542 4.350 0.001 0.000 0.196 951 E C 1.789 178.398 176.600 0.015 0.000 1.066 951 E CA 0.440 56.812 56.400 -0.046 0.000 0.871 951 E CB 0.097 29.759 29.700 -0.064 0.000 0.863 951 E HN 0.726 nan 8.360 nan 0.000 0.520 952 I N -0.601 119.998 120.570 0.048 0.000 4.102 952 I HA 0.226 4.396 4.170 0.001 0.000 0.325 952 I C 0.661 176.840 176.117 0.104 0.000 1.471 952 I CA -0.205 61.157 61.300 0.104 0.000 1.133 952 I CB 1.120 39.230 38.000 0.183 0.000 1.184 952 I HN 0.066 nan 8.210 nan 0.000 0.451 953 G N 1.289 110.111 108.800 0.035 0.000 2.500 953 G HA2 -0.109 3.852 3.960 0.001 0.000 0.209 953 G HA3 -0.109 3.852 3.960 0.001 0.000 0.209 953 G C -1.010 173.575 174.900 -0.524 0.000 1.283 953 G CA -0.810 44.218 45.100 -0.119 0.000 0.960 953 G HN 0.066 nan 8.290 nan 0.000 0.528 954 Q N 1.083 120.188 119.800 -1.159 0.000 2.333 954 Q HA 0.467 4.807 4.340 0.001 0.000 0.268 954 Q C -2.304 173.208 176.000 -0.814 0.000 1.007 954 Q CA -1.581 53.559 55.803 -1.106 0.000 0.810 954 Q CB 2.373 30.314 28.738 -1.329 0.000 1.264 954 Q HN 0.538 nan 8.270 nan 0.000 0.452 955 P HA 0.036 nan 4.420 nan 0.000 0.272 955 P C 0.941 178.073 177.300 -0.280 0.000 1.223 955 P CA -0.205 62.691 63.100 -0.339 0.000 0.784 955 P CB 1.059 32.566 31.700 -0.322 0.000 0.923 956 V N 2.010 121.875 119.914 -0.082 0.000 2.453 956 V HA -0.303 3.818 4.120 0.001 0.000 0.252 956 V C 1.833 177.849 176.094 -0.130 0.000 1.068 956 V CA 2.554 64.828 62.300 -0.043 0.000 1.070 956 V CB -1.427 30.399 31.823 0.005 0.000 0.664 956 V HN 0.568 nan 8.190 nan 0.000 0.461 957 N N -0.278 118.321 118.700 -0.169 0.000 2.278 957 N HA 0.391 5.132 4.740 0.001 0.000 0.181 957 N C 0.842 176.246 175.510 -0.176 0.000 1.023 957 N CA 1.070 54.023 53.050 -0.161 0.000 0.862 957 N CB 0.020 38.433 38.487 -0.124 0.000 1.003 957 N HN 0.573 nan 8.380 nan 0.000 0.431 958 G N -1.040 107.591 108.800 -0.281 0.000 2.359 958 G HA2 0.126 4.087 3.960 0.001 0.000 0.303 958 G HA3 0.126 4.087 3.960 0.001 0.000 0.303 958 G C -1.742 172.901 174.900 -0.428 0.000 1.293 958 G CA -1.117 43.763 45.100 -0.365 0.000 0.964 958 G HN 0.068 nan 8.290 nan 0.000 0.531 959 F N 0.906 120.788 119.950 -0.114 0.000 2.420 959 F HA 0.466 4.994 4.527 0.001 0.000 0.342 959 F C 0.714 176.521 175.800 0.011 0.000 1.113 959 F CA -0.706 57.258 58.000 -0.060 0.000 1.059 959 F CB 1.919 40.876 39.000 -0.071 0.000 1.128 959 F HN 0.526 nan 8.300 nan 0.000 0.475 960 N N 3.098 121.956 118.700 0.264 0.000 2.438 960 N HA -0.002 4.739 4.740 0.001 0.000 0.267 960 N C 0.855 176.419 175.510 0.090 0.000 1.222 960 N CA 0.183 53.320 53.050 0.146 0.000 0.930 960 N CB 0.725 39.294 38.487 0.137 0.000 1.083 960 N HN 0.561 nan 8.380 nan 0.000 0.476 961 K N 2.066 122.497 120.400 0.052 0.000 2.103 961 K HA -0.161 4.160 4.320 0.001 0.000 0.207 961 K C 0.556 177.136 176.600 -0.034 0.000 1.048 961 K CA 1.514 57.808 56.287 0.012 0.000 0.930 961 K CB 0.067 32.576 32.500 0.015 0.000 0.716 961 K HN 0.641 nan 8.250 nan 0.000 0.444 962 D N 0.971 121.357 120.400 -0.024 0.000 2.088 962 D HA -0.185 4.456 4.640 0.001 0.000 0.191 962 D C 1.788 178.005 176.300 -0.138 0.000 0.992 962 D CA 0.890 54.863 54.000 -0.045 0.000 0.831 962 D CB -0.439 40.353 40.800 -0.012 0.000 0.973 962 D HN -0.018 nan 8.370 nan 0.000 0.447 963 L N 0.663 121.793 121.223 -0.155 0.000 2.127 963 L HA -0.197 4.144 4.340 0.001 0.000 0.211 963 L C 2.233 178.683 176.870 -0.700 0.000 1.089 963 L CA 1.666 56.306 54.840 -0.333 0.000 0.757 963 L CB -0.419 41.530 42.059 -0.183 0.000 0.899 963 L HN 0.065 nan 8.230 nan 0.000 0.434 964 Q N -1.355 118.103 119.800 -0.569 0.000 2.016 964 Q HA -0.195 4.145 4.340 0.001 0.000 0.200 964 Q C 2.225 177.936 176.000 -0.482 0.000 0.978 964 Q CA 1.523 56.911 55.803 -0.691 0.000 0.833 964 Q CB -0.174 28.378 28.738 -0.311 0.000 0.895 964 Q HN 0.625 nan 8.270 nan 0.000 0.427 965 A N 0.480 123.128 122.820 -0.287 0.000 1.903 965 A HA -0.225 4.096 4.320 0.001 0.000 0.219 965 A C 2.186 179.623 177.584 -0.246 0.000 1.191 965 A CA 2.326 54.254 52.037 -0.183 0.000 0.638 965 A CB -1.256 17.703 19.000 -0.067 0.000 0.823 965 A HN 0.435 nan 8.150 nan 0.000 0.451 966 V N -2.124 117.567 119.914 -0.372 0.000 2.427 966 V HA -0.178 3.943 4.120 0.001 0.000 0.248 966 V C 2.257 178.154 176.094 -0.328 0.000 1.051 966 V CA 1.937 63.911 62.300 -0.542 0.000 1.048 966 V CB -0.882 30.628 31.823 -0.521 0.000 0.666 966 V HN 0.479 nan 8.190 nan 0.000 0.456 967 I N -0.135 120.183 120.570 -0.421 0.000 2.277 967 I HA -0.093 4.078 4.170 0.001 0.000 0.243 967 I C 2.503 178.510 176.117 -0.183 0.000 1.094 967 I CA 1.434 62.528 61.300 -0.344 0.000 1.393 967 I CB -0.186 37.347 38.000 -0.778 0.000 1.078 967 I HN 0.232 nan 8.210 nan 0.000 0.417 968 L N 0.312 121.386 121.223 -0.248 0.000 2.093 968 L HA -0.113 4.228 4.340 0.001 0.000 0.208 968 L C 0.525 177.344 176.870 -0.085 0.000 1.085 968 L CA 0.612 55.358 54.840 -0.158 0.000 0.755 968 L CB -0.535 41.415 42.059 -0.182 0.000 0.904 968 L HN 0.166 nan 8.230 nan 0.000 0.435 969 K N 0.492 120.851 120.400 -0.070 0.000 4.007 969 K HA -0.252 4.069 4.320 0.001 0.000 0.279 969 K C 0.893 177.495 176.600 0.004 0.000 0.919 969 K CA 0.142 56.434 56.287 0.008 0.000 0.800 969 K CB -1.775 30.744 32.500 0.032 0.000 1.572 969 K HN 0.635 nan 8.250 nan 0.000 0.443 970 G N -0.620 108.176 108.800 -0.007 0.000 2.336 970 G HA2 -0.335 3.626 3.960 0.001 0.000 0.233 970 G HA3 -0.335 3.626 3.960 0.001 0.000 0.233 970 G C 0.128 175.005 174.900 -0.038 0.000 1.053 970 G CA 0.165 45.257 45.100 -0.014 0.000 0.625 970 G HN 0.376 nan 8.290 nan 0.000 0.511 971 Q N 1.713 121.481 119.800 -0.053 0.000 2.354 971 Q HA 0.143 4.484 4.340 0.001 0.000 0.310 971 Q C 0.580 176.529 176.000 -0.085 0.000 1.104 971 Q CA 0.539 56.301 55.803 -0.069 0.000 0.968 971 Q CB 0.235 28.925 28.738 -0.080 0.000 1.251 971 Q HN 0.645 nan 8.270 nan 0.000 0.411 972 E N 0.821 120.969 120.200 -0.088 0.000 2.299 972 E HA 0.274 4.625 4.350 0.001 0.000 0.272 972 E C -0.692 175.825 176.600 -0.138 0.000 1.043 972 E CA -0.127 56.215 56.400 -0.097 0.000 0.895 972 E CB 0.773 30.419 29.700 -0.090 0.000 1.011 972 E HN 0.481 nan 8.360 nan 0.000 0.432 973 A N 4.627 127.365 122.820 -0.136 0.000 2.310 973 A HA 0.446 4.767 4.320 0.001 0.000 0.299 973 A C 0.096 177.590 177.584 -0.149 0.000 1.147 973 A CA -0.638 51.296 52.037 -0.172 0.000 0.818 973 A CB 0.511 19.399 19.000 -0.187 0.000 1.096 973 A HN 0.591 nan 8.150 nan 0.000 0.495 974 L N 2.298 123.409 121.223 -0.188 0.000 2.349 974 L HA 0.227 4.568 4.340 0.001 0.000 0.275 974 L C 1.252 178.155 176.870 0.056 0.000 1.115 974 L CA -0.534 54.204 54.840 -0.170 0.000 0.820 974 L CB 0.910 42.779 42.059 -0.316 0.000 1.135 974 L HN 0.957 nan 8.230 nan 0.000 0.445 975 T N 0.896 115.593 114.554 0.238 0.000 2.739 975 T HA 0.063 4.413 4.350 0.001 0.000 0.249 975 T C 0.796 175.643 174.700 0.244 0.000 1.050 975 T CA 0.665 62.887 62.100 0.202 0.000 1.165 975 T CB 0.068 69.049 68.868 0.188 0.000 0.872 975 T HN 0.686 nan 8.240 nan 0.000 0.411 976 A N 1.873 124.894 122.820 0.336 0.000 2.252 976 A HA 0.579 4.900 4.320 0.001 0.000 0.305 976 A C 0.206 178.088 177.584 0.496 0.000 1.097 976 A CA -0.968 51.281 52.037 0.354 0.000 0.849 976 A CB 0.176 19.252 19.000 0.125 0.000 1.142 976 A HN 0.586 nan 8.150 nan 0.000 0.499 977 R N 0.376 121.247 120.500 0.618 0.000 2.505 977 R HA 0.017 4.358 4.340 0.001 0.000 0.274 977 R C -2.247 174.277 176.300 0.374 0.000 0.955 977 R CA -0.186 56.226 56.100 0.520 0.000 1.109 977 R CB -0.572 29.898 30.300 0.282 0.000 0.890 977 R HN 0.358 nan 8.270 nan 0.000 0.415 978 P HA -0.109 nan 4.420 nan 0.000 0.225 978 P C 1.302 178.751 177.300 0.248 0.000 1.148 978 P CA 1.526 64.818 63.100 0.319 0.000 0.779 978 P CB 0.015 31.791 31.700 0.126 0.000 0.780 979 G N 1.444 110.341 108.800 0.162 0.000 2.440 979 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 979 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 979 G C 1.176 176.113 174.900 0.062 0.000 1.154 979 G CA 0.646 45.805 45.100 0.097 0.000 0.767 979 G HN 0.467 nan 8.290 nan 0.000 0.552 980 E N -0.782 119.423 120.200 0.009 0.000 2.403 980 E HA 0.141 4.492 4.350 0.001 0.000 0.187 980 E C 0.901 177.383 176.600 -0.196 0.000 1.073 980 E CA -0.195 56.148 56.400 -0.096 0.000 0.888 980 E CB -0.158 29.456 29.700 -0.144 0.000 1.035 980 E HN 0.624 nan 8.360 nan 0.000 0.471 981 Y N 0.499 120.805 120.300 0.009 0.000 2.481 981 Y HA 0.280 4.830 4.550 0.001 0.000 0.258 981 Y C 0.795 176.685 175.900 -0.015 0.000 1.103 981 Y CA -0.308 57.791 58.100 -0.003 0.000 1.287 981 Y CB 0.802 39.260 38.460 -0.005 0.000 1.108 981 Y HN -0.005 nan 8.280 nan 0.000 0.529 982 L N 0.894 122.188 121.223 0.119 0.000 2.325 982 L HA 0.263 4.604 4.340 0.001 0.000 0.279 982 L C -0.083 176.800 176.870 0.021 0.000 1.054 982 L CA -0.781 54.091 54.840 0.054 0.000 0.804 982 L CB 0.953 43.032 42.059 0.032 0.000 1.200 982 L HN -0.053 nan 8.230 nan 0.000 0.436 983 E N 2.862 123.064 120.200 0.003 0.000 2.354 983 E HA 0.259 4.609 4.350 0.001 0.000 0.269 983 E C -2.201 174.380 176.600 -0.032 0.000 1.036 983 E CA -1.787 54.604 56.400 -0.015 0.000 0.876 983 E CB 0.586 30.275 29.700 -0.018 0.000 1.009 983 E HN 0.259 nan 8.360 nan 0.000 0.416 984 P HA 0.007 nan 4.420 nan 0.000 0.269 984 P C -0.409 176.796 177.300 -0.158 0.000 1.209 984 P CA -0.165 62.883 63.100 -0.087 0.000 0.776 984 P CB 0.497 32.149 31.700 -0.080 0.000 0.876 985 V N 2.783 122.526 119.914 -0.286 0.000 2.583 985 V HA 0.036 4.157 4.120 0.001 0.000 0.287 985 V C 0.780 176.555 176.094 -0.531 0.000 1.051 985 V CA 0.103 62.167 62.300 -0.394 0.000 1.010 985 V CB 0.739 32.279 31.823 -0.473 0.000 0.988 985 V HN 0.544 nan 8.190 nan 0.000 0.478 986 D N 3.981 124.212 120.400 -0.283 0.000 2.470 986 D HA 0.146 4.787 4.640 0.001 0.000 0.226 986 D C 0.923 177.157 176.300 -0.110 0.000 1.196 986 D CA 0.068 53.959 54.000 -0.181 0.000 0.979 986 D CB 0.134 40.893 40.800 -0.069 0.000 1.059 986 D HN 0.454 nan 8.370 nan 0.000 0.515 987 F N 1.684 121.658 119.950 0.039 0.000 2.091 987 F HA -0.228 4.300 4.527 0.001 0.000 0.299 987 F C 2.490 178.303 175.800 0.021 0.000 1.103 987 F CA 0.894 58.916 58.000 0.038 0.000 1.228 987 F CB 0.004 39.025 39.000 0.036 0.000 0.984 987 F HN 0.371 nan 8.300 nan 0.000 0.477 988 E N 0.796 121.104 120.200 0.181 0.000 2.333 988 E HA -0.192 4.159 4.350 0.001 0.000 0.198 988 E C 1.612 178.251 176.600 0.065 0.000 1.007 988 E CA 0.921 57.382 56.400 0.101 0.000 0.845 988 E CB -0.568 29.174 29.700 0.070 0.000 0.766 988 E HN 0.442 nan 8.360 nan 0.000 0.507 989 K N 0.890 121.324 120.400 0.057 0.000 2.167 989 K HA 0.002 4.323 4.320 0.001 0.000 0.203 989 K C 2.299 178.921 176.600 0.037 0.000 1.052 989 K CA 0.896 57.205 56.287 0.037 0.000 0.956 989 K CB 0.074 32.589 32.500 0.025 0.000 0.735 989 K HN 0.091 nan 8.250 nan 0.000 0.451 990 V N 0.979 120.933 119.914 0.068 0.000 2.323 990 V HA -0.203 3.918 4.120 0.001 0.000 0.244 990 V C 2.436 178.526 176.094 -0.006 0.000 1.041 990 V CA 1.646 63.968 62.300 0.036 0.000 1.025 990 V CB -0.601 31.305 31.823 0.139 0.000 0.656 990 V HN 0.209 nan 8.190 nan 0.000 0.451 991 R N 1.084 121.608 120.500 0.041 0.000 2.115 991 R HA -0.258 4.083 4.340 0.001 0.000 0.239 991 R C 2.260 178.563 176.300 0.005 0.000 1.133 991 R CA 2.486 58.599 56.100 0.021 0.000 0.935 991 R CB -0.824 29.499 30.300 0.039 0.000 0.853 991 R HN 0.617 nan 8.270 nan 0.000 0.433 992 E N -0.660 119.548 120.200 0.012 0.000 2.086 992 E HA -0.255 4.096 4.350 0.001 0.000 0.200 992 E C 1.897 178.492 176.600 -0.008 0.000 1.012 992 E CA 1.794 58.197 56.400 0.006 0.000 0.812 992 E CB -0.243 29.464 29.700 0.012 0.000 0.743 992 E HN 0.322 nan 8.360 nan 0.000 0.453 993 L N 0.273 121.481 121.223 -0.026 0.000 2.044 993 L HA -0.100 4.241 4.340 0.001 0.000 0.205 993 L C 2.101 178.932 176.870 -0.065 0.000 1.075 993 L CA 1.412 56.223 54.840 -0.049 0.000 0.747 993 L CB -0.189 41.822 42.059 -0.079 0.000 0.903 993 L HN 0.155 nan 8.230 nan 0.000 0.435 994 L N -0.648 120.521 121.223 -0.089 0.000 2.217 994 L HA -0.087 4.253 4.340 0.001 0.000 0.211 994 L C 2.511 179.383 176.870 0.004 0.000 1.107 994 L CA 0.517 55.325 54.840 -0.053 0.000 0.783 994 L CB -0.484 41.540 42.059 -0.058 0.000 0.919 994 L HN 0.269 nan 8.230 nan 0.000 0.442 995 E N -0.209 119.992 120.200 0.001 0.000 2.072 995 E HA -0.198 4.153 4.350 0.001 0.000 0.191 995 E C 2.046 178.653 176.600 0.012 0.000 0.985 995 E CA 0.809 57.216 56.400 0.012 0.000 0.801 995 E CB -0.011 29.695 29.700 0.010 0.000 0.750 995 E HN 0.356 nan 8.360 nan 0.000 0.452 996 E N 1.028 121.231 120.200 0.005 0.000 2.046 996 E HA -0.131 4.220 4.350 0.001 0.000 0.190 996 E C 1.903 178.508 176.600 0.009 0.000 0.982 996 E CA 0.650 57.054 56.400 0.006 0.000 0.800 996 E CB 0.130 29.832 29.700 0.004 0.000 0.756 996 E HN 0.339 nan 8.360 nan 0.000 0.449 997 E N 0.381 120.586 120.200 0.009 0.000 2.077 997 E HA -0.153 4.198 4.350 0.001 0.000 0.193 997 E C 1.134 177.747 176.600 0.021 0.000 0.989 997 E CA 0.813 57.222 56.400 0.016 0.000 0.800 997 E CB 0.089 29.800 29.700 0.018 0.000 0.746 997 E HN 0.320 nan 8.360 nan 0.000 0.452 998 Q N -0.356 119.461 119.800 0.028 0.000 2.270 998 Q HA 0.048 4.389 4.340 0.001 0.000 0.167 998 Q C 1.709 177.721 176.000 0.020 0.000 1.023 998 Q CA -0.212 55.608 55.803 0.028 0.000 1.070 998 Q CB 0.382 29.149 28.738 0.048 0.000 1.504 998 Q HN 0.122 nan 8.270 nan 0.000 0.536 999 Q N -1.103 118.708 119.800 0.020 0.000 2.187 999 Q HA 0.101 4.442 4.340 0.001 0.000 0.199 999 Q C 0.596 176.607 176.000 0.018 0.000 0.957 999 Q CA 1.068 56.881 55.803 0.016 0.000 0.857 999 Q CB 0.355 29.101 28.738 0.013 0.000 0.929 999 Q HN 0.816 nan 8.270 nan 0.000 0.453 1000 G N 0.430 109.244 108.800 0.023 0.000 3.784 1000 G HA2 -0.021 3.940 3.960 0.001 0.000 0.220 1000 G HA3 -0.021 3.940 3.960 0.001 0.000 0.220 1000 G C -2.085 172.829 174.900 0.023 0.000 0.895 1000 G CA -0.021 45.092 45.100 0.021 0.000 0.939 1000 G HN 0.262 nan 8.290 nan 0.000 0.708 1001 P HA 0.454 nan 4.420 nan 0.000 0.208 1001 P C 0.548 177.869 177.300 0.035 0.000 1.100 1001 P CA 0.676 63.796 63.100 0.034 0.000 0.673 1001 P CB 0.237 31.965 31.700 0.047 0.000 0.690 1002 V N -1.427 118.520 119.914 0.055 0.000 3.419 1002 V HA -0.106 4.015 4.120 0.001 0.000 0.488 1002 V C 0.142 176.245 176.094 0.015 0.000 0.682 1002 V CA 0.644 62.976 62.300 0.053 0.000 2.031 1002 V CB -2.172 29.678 31.823 0.046 0.000 2.473 1002 V HN 0.833 nan 8.190 nan 0.000 0.503 1003 T N 1.790 116.343 114.554 -0.001 0.000 2.841 1003 T HA 0.646 4.997 4.350 0.001 0.000 0.276 1003 T C 0.801 175.443 174.700 -0.096 0.000 1.003 1003 T CA -0.078 61.989 62.100 -0.054 0.000 0.995 1003 T CB 1.899 70.721 68.868 -0.077 0.000 1.260 1003 T HN 0.549 nan 8.240 nan 0.000 0.581 1004 E N 0.288 120.400 120.200 -0.146 0.000 2.152 1004 E HA -0.101 4.250 4.350 0.001 0.000 0.192 1004 E C 2.117 178.571 176.600 -0.244 0.000 0.983 1004 E CA 1.110 57.397 56.400 -0.188 0.000 0.818 1004 E CB -0.134 29.449 29.700 -0.196 0.000 0.758 1004 E HN 0.683 nan 8.360 nan 0.000 0.467 1005 Q N 0.399 119.983 119.800 -0.360 0.000 2.297 1005 Q HA -0.087 4.254 4.340 0.001 0.000 0.204 1005 Q C 1.410 177.291 176.000 -0.199 0.000 0.962 1005 Q CA 0.686 56.127 55.803 -0.603 0.000 0.879 1005 Q CB 0.104 28.103 28.738 -1.232 0.000 0.947 1005 Q HN 0.191 nan 8.270 nan 0.000 0.462 1006 D N 1.124 121.471 120.400 -0.089 0.000 2.117 1006 D HA -0.080 4.561 4.640 0.001 0.000 0.198 1006 D C 1.923 178.157 176.300 -0.109 0.000 0.982 1006 D CA 0.870 54.872 54.000 0.004 0.000 0.828 1006 D CB 0.013 40.868 40.800 0.091 0.000 0.967 1006 D HN 0.219 nan 8.370 nan 0.000 0.464 1007 I N 1.027 121.558 120.570 -0.064 0.000 2.113 1007 I HA -0.271 3.899 4.170 0.001 0.000 0.238 1007 I C 2.146 178.307 176.117 0.074 0.000 1.070 1007 I CA 0.977 62.268 61.300 -0.014 0.000 1.332 1007 I CB -0.363 37.619 38.000 -0.030 0.000 1.044 1007 I HN -0.036 nan 8.210 nan 0.000 0.402 1008 I N -0.981 119.629 120.570 0.068 0.000 2.850 1008 I HA -0.162 4.009 4.170 0.001 0.000 0.266 1008 I C 2.337 178.628 176.117 0.290 0.000 1.257 1008 I CA 1.116 62.534 61.300 0.197 0.000 1.465 1008 I CB -0.849 37.320 38.000 0.282 0.000 1.091 1008 I HN 0.038 nan 8.210 nan 0.000 0.467 1009 S N -0.417 115.459 115.700 0.293 0.000 2.406 1009 S HA -0.042 4.429 4.470 0.001 0.000 0.224 1009 S C 1.930 176.592 174.600 0.103 0.000 1.030 1009 S CA 0.376 58.812 58.200 0.393 0.000 0.958 1009 S CB -0.320 63.197 63.200 0.527 0.000 0.811 1009 S HN 0.644 nan 8.310 nan 0.000 0.489 1010 Y N 1.911 122.029 120.300 -0.303 0.000 2.263 1010 Y HA -0.051 4.500 4.550 0.001 0.000 0.292 1010 Y C 1.922 177.860 175.900 0.063 0.000 1.130 1010 Y CA 1.130 59.107 58.100 -0.204 0.000 1.179 1010 Y CB -0.301 37.977 38.460 -0.302 0.000 0.998 1010 Y HN 0.037 nan 8.280 nan 0.000 0.532 1011 V N 0.795 120.839 119.914 0.217 0.000 2.261 1011 V HA -0.337 3.784 4.120 0.001 0.000 0.246 1011 V C 2.419 178.599 176.094 0.142 0.000 1.047 1011 V CA 2.143 64.560 62.300 0.196 0.000 1.015 1011 V CB -0.944 31.069 31.823 0.316 0.000 0.642 1011 V HN 0.439 nan 8.190 nan 0.000 0.446 1012 L N -1.632 119.631 121.223 0.067 0.000 1.989 1012 L HA -0.144 4.196 4.340 0.001 0.000 0.211 1012 L C 0.724 177.522 176.870 -0.121 0.000 1.071 1012 L CA 1.717 56.484 54.840 -0.122 0.000 0.749 1012 L CB -0.282 41.608 42.059 -0.280 0.000 0.890 1012 L HN 0.346 nan 8.230 nan 0.000 0.431 1013 Y N -1.528 118.865 120.300 0.156 0.000 2.863 1013 Y HA 0.251 4.801 4.550 0.001 0.000 0.348 1013 Y C -1.756 174.107 175.900 -0.061 0.000 1.028 1013 Y CA -2.092 56.050 58.100 0.070 0.000 1.213 1013 Y CB 0.495 38.968 38.460 0.021 0.000 1.120 1013 Y HN -0.084 nan 8.280 nan 0.000 0.598 1014 P HA -0.241 nan 4.420 nan 0.000 0.210 1014 P C 1.551 178.805 177.300 -0.077 0.000 1.185 1014 P CA 1.845 64.693 63.100 -0.420 0.000 0.924 1014 P CB 0.464 31.932 31.700 -0.387 0.000 0.786 1015 K N -0.514 119.877 120.400 -0.015 0.000 2.032 1015 K HA -0.109 4.212 4.320 0.001 0.000 0.209 1015 K C 2.000 178.632 176.600 0.054 0.000 1.048 1015 K CA 1.455 57.761 56.287 0.032 0.000 0.927 1015 K CB -0.948 31.549 32.500 -0.003 0.000 0.712 1015 K HN -0.031 nan 8.250 nan 0.000 0.441 1016 V N 0.511 120.448 119.914 0.039 0.000 2.427 1016 V HA -0.253 3.868 4.120 0.001 0.000 0.248 1016 V C 2.050 178.174 176.094 0.050 0.000 1.051 1016 V CA 1.661 63.968 62.300 0.013 0.000 1.048 1016 V CB -0.542 31.235 31.823 -0.076 0.000 0.666 1016 V HN 0.309 nan 8.190 nan 0.000 0.456 1017 Y N 1.305 121.573 120.300 -0.055 0.000 2.145 1017 Y HA -0.196 4.355 4.550 0.001 0.000 0.286 1017 Y C 2.619 178.615 175.900 0.161 0.000 1.145 1017 Y CA 1.892 59.962 58.100 -0.050 0.000 1.148 1017 Y CB -0.113 38.343 38.460 -0.006 0.000 0.981 1017 Y HN 0.265 nan 8.280 nan 0.000 0.507 1018 E N 0.179 120.496 120.200 0.194 0.000 2.118 1018 E HA -0.296 4.055 4.350 0.001 0.000 0.195 1018 E C 2.119 178.720 176.600 0.002 0.000 0.992 1018 E CA 1.629 58.093 56.400 0.106 0.000 0.804 1018 E CB -0.336 29.494 29.700 0.217 0.000 0.741 1018 E HN 0.650 nan 8.360 nan 0.000 0.458 1019 Q N -0.450 119.372 119.800 0.036 0.000 2.123 1019 Q HA -0.153 4.188 4.340 0.001 0.000 0.199 1019 Q C 2.000 178.022 176.000 0.037 0.000 0.966 1019 Q CA 0.946 56.767 55.803 0.032 0.000 0.845 1019 Q CB -0.178 28.586 28.738 0.045 0.000 0.907 1019 Q HN 0.300 nan 8.270 nan 0.000 0.439 1020 Y N 0.785 121.053 120.300 -0.053 0.000 2.070 1020 Y HA -0.301 4.250 4.550 0.001 0.000 0.280 1020 Y C 1.744 177.602 175.900 -0.069 0.000 1.148 1020 Y CA 1.694 59.788 58.100 -0.010 0.000 1.125 1020 Y CB -0.246 38.265 38.460 0.084 0.000 0.975 1020 Y HN 0.094 nan 8.280 nan 0.000 0.492 1021 I N 0.737 121.155 120.570 -0.254 0.000 2.194 1021 I HA -0.334 3.836 4.170 0.001 0.000 0.246 1021 I C 2.199 178.174 176.117 -0.237 0.000 1.093 1021 I CA 1.564 62.683 61.300 -0.301 0.000 1.355 1021 I CB -1.445 36.409 38.000 -0.243 0.000 1.046 1021 I HN 0.452 nan 8.210 nan 0.000 0.413 1022 Q N 0.040 119.744 119.800 -0.161 0.000 2.170 1022 Q HA -0.124 4.217 4.340 0.001 0.000 0.203 1022 Q C 2.193 178.095 176.000 -0.163 0.000 0.976 1022 Q CA 1.678 57.406 55.803 -0.126 0.000 0.858 1022 Q CB -0.785 27.909 28.738 -0.073 0.000 0.907 1022 Q HN 0.502 nan 8.270 nan 0.000 0.433 1023 T N 1.116 115.565 114.554 -0.175 0.000 2.812 1023 T HA -0.066 4.285 4.350 0.001 0.000 0.264 1023 T C 1.814 176.394 174.700 -0.200 0.000 1.042 1023 T CA 0.733 62.748 62.100 -0.140 0.000 1.140 1023 T CB -0.052 68.809 68.868 -0.011 0.000 0.870 1023 T HN 0.222 nan 8.240 nan 0.000 0.445 1024 R N 1.306 121.576 120.500 -0.383 0.000 2.127 1024 R HA -0.074 4.267 4.340 0.001 0.000 0.238 1024 R C 1.848 178.036 176.300 -0.186 0.000 1.134 1024 R CA 1.525 57.421 56.100 -0.340 0.000 0.975 1024 R CB -0.368 29.611 30.300 -0.534 0.000 0.865 1024 R HN 0.525 nan 8.270 nan 0.000 0.447 1025 N N -0.294 118.296 118.700 -0.183 0.000 2.216 1025 N HA -0.148 4.592 4.740 0.001 0.000 0.183 1025 N C 1.879 177.298 175.510 -0.151 0.000 1.017 1025 N CA 0.696 53.667 53.050 -0.132 0.000 0.861 1025 N CB 0.014 38.433 38.487 -0.114 0.000 0.986 1025 N HN 0.293 nan 8.380 nan 0.000 0.428 1026 Q N -0.163 119.498 119.800 -0.231 0.000 2.020 1026 Q HA -0.070 4.271 4.340 0.001 0.000 0.198 1026 Q C 0.554 176.341 176.000 -0.356 0.000 0.974 1026 Q CA 1.345 56.907 55.803 -0.403 0.000 0.829 1026 Q CB 0.215 28.534 28.738 -0.698 0.000 0.894 1026 Q HN 0.548 nan 8.270 nan 0.000 0.433 1027 Y N -1.285 119.015 120.300 -0.001 0.000 2.500 1027 Y HA 0.262 4.812 4.550 0.001 0.000 0.246 1027 Y C 0.996 176.869 175.900 -0.044 0.000 1.146 1027 Y CA -0.327 57.780 58.100 0.011 0.000 1.230 1027 Y CB 1.339 39.834 38.460 0.059 0.000 1.214 1027 Y HN 0.316 nan 8.280 nan 0.000 0.526 1028 G N 1.872 110.699 108.800 0.045 0.000 2.528 1028 G HA2 -0.393 3.568 3.960 0.001 0.000 0.262 1028 G HA3 -0.393 3.568 3.960 0.001 0.000 0.262 1028 G C -0.336 174.556 174.900 -0.013 0.000 1.200 1028 G CA 0.025 45.126 45.100 0.002 0.000 0.951 1028 G HN 0.440 nan 8.290 nan 0.000 0.566 1029 N N 1.003 119.695 118.700 -0.013 0.000 2.868 1029 N HA 0.484 5.224 4.740 0.001 0.000 0.252 1029 N C 1.870 177.349 175.510 -0.053 0.000 1.130 1029 N CA -0.282 52.760 53.050 -0.013 0.000 1.026 1029 N CB -0.023 38.464 38.487 -0.001 0.000 1.335 1029 N HN 0.504 nan 8.380 nan 0.000 0.516 1030 L N 1.036 122.216 121.223 -0.072 0.000 2.079 1030 L HA -0.228 4.112 4.340 0.001 0.000 0.210 1030 L C 2.491 179.223 176.870 -0.230 0.000 1.081 1030 L CA 1.130 55.869 54.840 -0.169 0.000 0.752 1030 L CB -0.533 41.441 42.059 -0.142 0.000 0.896 1030 L HN 0.616 nan 8.230 nan 0.000 0.433 1031 S N 0.080 115.665 115.700 -0.192 0.000 2.440 1031 S HA -0.205 4.265 4.470 0.001 0.000 0.240 1031 S C 1.844 176.322 174.600 -0.204 0.000 1.014 1031 S CA 1.066 59.122 58.200 -0.240 0.000 0.980 1031 S CB -0.737 62.378 63.200 -0.141 0.000 0.775 1031 S HN 0.446 nan 8.310 nan 0.000 0.499 1032 L N -0.035 121.101 121.223 -0.145 0.000 2.265 1032 L HA 0.067 4.408 4.340 0.001 0.000 0.215 1032 L C 0.465 177.262 176.870 -0.123 0.000 1.117 1032 L CA 0.140 54.913 54.840 -0.112 0.000 0.782 1032 L CB -0.717 41.296 42.059 -0.077 0.000 0.914 1032 L HN 0.280 nan 8.230 nan 0.000 0.441 1033 L N 0.838 121.966 121.223 -0.158 0.000 2.461 1033 L HA -0.001 4.340 4.340 0.001 0.000 0.272 1033 L C 0.642 177.418 176.870 -0.155 0.000 1.197 1033 L CA 0.193 54.955 54.840 -0.129 0.000 0.836 1033 L CB 0.027 42.028 42.059 -0.096 0.000 1.105 1033 L HN 0.143 nan 8.230 nan 0.000 0.477 1034 D N 0.672 120.998 120.400 -0.122 0.000 2.362 1034 D HA 0.015 4.656 4.640 0.001 0.000 0.242 1034 D C 0.549 176.719 176.300 -0.216 0.000 1.132 1034 D CA -0.232 53.670 54.000 -0.163 0.000 0.907 1034 D CB 0.900 41.607 40.800 -0.155 0.000 1.195 1034 D HN 0.538 nan 8.370 nan 0.000 0.429 1035 T N 1.997 116.370 114.554 -0.302 0.000 2.607 1035 T HA -0.103 4.248 4.350 0.001 0.000 0.267 1035 T C -0.922 173.609 174.700 -0.281 0.000 1.049 1035 T CA 1.885 63.772 62.100 -0.355 0.000 1.162 1035 T CB -1.037 67.653 68.868 -0.297 0.000 0.863 1035 T HN 0.499 nan 8.240 nan 0.000 0.424 1036 P HA -0.054 nan 4.420 nan 0.000 0.216 1036 P C 1.498 178.876 177.300 0.130 0.000 1.150 1036 P CA 1.305 64.390 63.100 -0.025 0.000 0.843 1036 P CB -0.291 31.275 31.700 -0.223 0.000 0.787 1037 T N -1.531 113.030 114.554 0.012 0.000 2.904 1037 T HA -0.095 4.256 4.350 0.001 0.000 0.267 1037 T C 1.416 176.181 174.700 0.109 0.000 1.059 1037 T CA 0.613 62.757 62.100 0.074 0.000 1.137 1037 T CB -0.913 67.978 68.868 0.039 0.000 0.879 1037 T HN 0.023 nan 8.240 nan 0.000 0.467 1038 F N 1.310 121.159 119.950 -0.168 0.000 2.134 1038 F HA 0.061 4.589 4.527 0.001 0.000 0.299 1038 F C 1.476 177.051 175.800 -0.374 0.000 1.097 1038 F CA 0.857 58.706 58.000 -0.252 0.000 1.264 1038 F CB -0.477 38.179 39.000 -0.573 0.000 1.001 1038 F HN 0.158 nan 8.300 nan 0.000 0.479 1039 F N -2.303 117.403 119.950 -0.408 0.000 2.664 1039 F HA 0.042 4.570 4.527 0.001 0.000 0.296 1039 F C 1.295 176.666 175.800 -0.716 0.000 1.125 1039 F CA 0.331 57.790 58.000 -0.902 0.000 1.444 1039 F CB -0.085 38.342 39.000 -0.954 0.000 1.114 1039 F HN -0.089 nan 8.300 nan 0.000 0.576 1040 F N -1.323 118.642 119.950 0.024 0.000 2.834 1040 F HA 0.394 4.922 4.527 0.001 0.000 0.332 1040 F C 1.604 177.407 175.800 0.005 0.000 1.056 1040 F CA 0.349 58.366 58.000 0.029 0.000 1.178 1040 F CB 0.223 39.239 39.000 0.027 0.000 1.037 1040 F HN -0.015 nan 8.300 nan 0.000 0.580 1041 G N 1.924 110.817 108.800 0.155 0.000 2.536 1041 G HA2 -0.282 3.679 3.960 0.001 0.000 0.277 1041 G HA3 -0.282 3.679 3.960 0.001 0.000 0.277 1041 G C -0.085 174.882 174.900 0.113 0.000 1.155 1041 G CA 0.315 45.476 45.100 0.102 0.000 0.960 1041 G HN 0.083 nan 8.290 nan 0.000 0.544 1042 M N -0.264 119.388 119.600 0.088 0.000 2.683 1042 M HA 0.575 5.055 4.480 0.001 0.000 0.274 1042 M C -0.086 176.233 176.300 0.032 0.000 1.272 1042 M CA -0.802 54.533 55.300 0.058 0.000 0.833 1042 M CB 2.616 35.256 32.600 0.067 0.000 1.708 1042 M HN 0.595 nan 8.290 nan 0.000 0.463 1043 R N 0.258 120.764 120.500 0.010 0.000 2.758 1043 R HA 0.474 4.814 4.340 0.001 0.000 0.265 1043 R C -0.523 175.770 176.300 -0.011 0.000 1.016 1043 R CA -0.899 55.200 56.100 -0.000 0.000 1.040 1043 R CB 0.831 31.129 30.300 -0.002 0.000 1.152 1043 R HN 0.623 nan 8.270 nan 0.000 0.503 1044 N N 0.628 119.316 118.700 -0.019 0.000 2.447 1044 N HA 0.005 4.746 4.740 0.001 0.000 0.263 1044 N C 0.524 176.023 175.510 -0.018 0.000 1.226 1044 N CA 0.944 53.977 53.050 -0.029 0.000 0.906 1044 N CB 0.565 39.032 38.487 -0.034 0.000 1.060 1044 N HN 0.885 nan 8.380 nan 0.000 0.468 1045 G N 1.421 110.211 108.800 -0.017 0.000 2.136 1045 G HA2 -0.284 3.677 3.960 0.001 0.000 0.242 1045 G HA3 -0.284 3.677 3.960 0.001 0.000 0.242 1045 G C -0.046 174.853 174.900 -0.000 0.000 0.989 1045 G CA -0.016 45.080 45.100 -0.007 0.000 0.682 1045 G HN 0.689 nan 8.290 nan 0.000 0.522 1046 E N 0.456 120.657 120.200 0.001 0.000 2.266 1046 E HA 0.566 4.916 4.350 0.001 0.000 0.277 1046 E C -0.489 176.120 176.600 0.015 0.000 1.018 1046 E CA -0.316 56.084 56.400 -0.000 0.000 0.840 1046 E CB 0.773 30.468 29.700 -0.008 0.000 1.082 1046 E HN 0.065 nan 8.360 nan 0.000 0.395 1047 T N 3.573 118.131 114.554 0.007 0.000 2.770 1047 T HA 0.372 4.723 4.350 0.001 0.000 0.283 1047 T C -0.541 174.161 174.700 0.004 0.000 0.988 1047 T CA -0.631 61.479 62.100 0.016 0.000 0.957 1047 T CB 0.960 69.835 68.868 0.011 0.000 0.930 1047 T HN 0.406 nan 8.240 nan 0.000 0.443 1048 V N 1.360 121.283 119.914 0.015 0.000 2.960 1048 V HA 0.741 4.862 4.120 0.001 0.000 0.315 1048 V C -0.803 175.290 176.094 -0.001 0.000 1.087 1048 V CA -1.003 61.297 62.300 -0.001 0.000 0.982 1048 V CB 2.186 34.009 31.823 0.000 0.000 1.039 1048 V HN 0.819 nan 8.190 nan 0.000 0.437 1049 E N 3.535 123.727 120.200 -0.013 0.000 2.155 1049 E HA 0.529 4.879 4.350 0.001 0.000 0.264 1049 E C -1.338 175.248 176.600 -0.023 0.000 0.886 1049 E CA -0.697 55.694 56.400 -0.015 0.000 0.752 1049 E CB 1.986 31.676 29.700 -0.016 0.000 1.133 1049 E HN 0.571 nan 8.360 nan 0.000 0.414 1050 I N 2.737 123.292 120.570 -0.024 0.000 2.339 1050 I HA 0.170 4.341 4.170 0.001 0.000 0.290 1050 I C 0.211 176.308 176.117 -0.033 0.000 0.994 1050 I CA -0.481 60.800 61.300 -0.032 0.000 1.191 1050 I CB 1.320 39.302 38.000 -0.030 0.000 1.343 1050 I HN 0.592 nan 8.210 nan 0.000 0.458 1051 E N 6.513 126.691 120.200 -0.037 0.000 2.081 1051 E HA 0.243 4.594 4.350 0.001 0.000 0.281 1051 E C 0.084 176.662 176.600 -0.037 0.000 0.986 1051 E CA -0.460 55.920 56.400 -0.033 0.000 0.796 1051 E CB 1.053 30.734 29.700 -0.031 0.000 1.085 1051 E HN 0.402 nan 8.360 nan 0.000 0.398 1052 I N 2.679 123.230 120.570 -0.032 0.000 3.860 1052 I HA 0.241 4.412 4.170 0.001 0.000 0.319 1052 I C -0.132 175.969 176.117 -0.027 0.000 1.279 1052 I CA 0.386 61.667 61.300 -0.032 0.000 1.220 1052 I CB -0.591 37.392 38.000 -0.029 0.000 1.027 1052 I HN 0.510 nan 8.210 nan 0.000 0.428 1053 D N 0.256 120.641 120.400 -0.025 0.000 2.724 1053 D HA -0.014 4.627 4.640 0.001 0.000 0.227 1053 D C -0.486 175.802 176.300 -0.021 0.000 1.004 1053 D CA -0.438 53.549 54.000 -0.022 0.000 0.838 1053 D CB 1.340 42.128 40.800 -0.019 0.000 3.251 1053 D HN -0.161 nan 8.370 nan 0.000 0.464 1054 K N 1.479 121.867 120.400 -0.020 0.000 2.366 1054 K HA 0.332 4.653 4.320 0.001 0.000 0.279 1054 K C 0.927 177.516 176.600 -0.017 0.000 1.098 1054 K CA 1.538 57.814 56.287 -0.018 0.000 1.087 1054 K CB -0.436 32.053 32.500 -0.018 0.000 0.901 1054 K HN 0.661 nan 8.250 nan 0.000 0.463 1055 G N 3.952 112.742 108.800 -0.017 0.000 2.428 1055 G HA2 -0.180 3.780 3.960 0.001 0.000 0.199 1055 G HA3 -0.180 3.780 3.960 0.001 0.000 0.199 1055 G C -0.356 174.534 174.900 -0.016 0.000 1.005 1055 G CA -0.480 44.611 45.100 -0.015 0.000 0.671 1055 G HN 0.551 nan 8.290 nan 0.000 0.485 1056 K N 1.337 121.726 120.400 -0.017 0.000 2.478 1056 K HA 0.513 4.834 4.320 0.001 0.000 0.236 1056 K C -0.303 176.285 176.600 -0.020 0.000 1.021 1056 K CA -0.486 55.790 56.287 -0.018 0.000 1.010 1056 K CB 1.202 33.690 32.500 -0.019 0.000 1.331 1056 K HN 0.144 nan 8.250 nan 0.000 0.470 1057 R N 2.605 123.094 120.500 -0.019 0.000 2.295 1057 R HA 0.368 4.709 4.340 0.001 0.000 0.324 1057 R C -0.498 175.791 176.300 -0.019 0.000 0.968 1057 R CA -0.622 55.467 56.100 -0.020 0.000 0.837 1057 R CB 1.106 31.395 30.300 -0.017 0.000 1.133 1057 R HN 0.317 nan 8.270 nan 0.000 0.450 1058 L N 5.664 126.874 121.223 -0.022 0.000 2.259 1058 L HA 0.341 4.682 4.340 0.001 0.000 0.288 1058 L C -0.281 176.579 176.870 -0.017 0.000 1.051 1058 L CA -0.621 54.205 54.840 -0.024 0.000 0.824 1058 L CB 0.682 42.720 42.059 -0.036 0.000 1.206 1058 L HN 0.475 nan 8.230 nan 0.000 0.429 1059 I N 5.050 125.615 120.570 -0.008 0.000 2.347 1059 I HA 0.184 4.355 4.170 0.001 0.000 0.294 1059 I C 0.245 176.369 176.117 0.012 0.000 1.090 1059 I CA 0.562 61.863 61.300 0.002 0.000 1.314 1059 I CB 0.176 38.179 38.000 0.004 0.000 1.423 1059 I HN 0.396 nan 8.210 nan 0.000 0.503 1060 I N 6.543 127.126 120.570 0.022 0.000 2.562 1060 I HA 0.475 4.646 4.170 0.001 0.000 0.301 1060 I C -0.047 176.124 176.117 0.090 0.000 1.003 1060 I CA -0.897 60.436 61.300 0.055 0.000 1.127 1060 I CB 1.717 39.742 38.000 0.040 0.000 1.304 1060 I HN 0.452 nan 8.210 nan 0.000 0.446 1061 K N 6.310 126.792 120.400 0.135 0.000 2.507 1061 K HA 0.463 4.784 4.320 0.001 0.000 0.251 1061 K C -1.690 174.995 176.600 0.142 0.000 0.943 1061 K CA -0.637 55.717 56.287 0.111 0.000 0.794 1061 K CB 2.141 34.683 32.500 0.071 0.000 1.188 1061 K HN 0.605 nan 8.250 nan 0.000 0.428 1062 L N 4.831 126.100 121.223 0.078 0.000 2.268 1062 L HA 0.206 4.547 4.340 0.001 0.000 0.289 1062 L C 0.632 177.475 176.870 -0.046 0.000 1.064 1062 L CA 0.100 54.913 54.840 -0.044 0.000 0.824 1062 L CB 0.826 42.833 42.059 -0.086 0.000 1.202 1062 L HN 0.872 nan 8.230 nan 0.000 0.433 1063 E N 1.755 121.930 120.200 -0.042 0.000 2.042 1063 E HA 0.007 4.358 4.350 0.001 0.000 0.189 1063 E C 0.225 176.785 176.600 -0.067 0.000 0.974 1063 E CA 0.792 57.176 56.400 -0.027 0.000 0.806 1063 E CB 0.450 30.158 29.700 0.012 0.000 0.769 1063 E HN 0.644 nan 8.360 nan 0.000 0.451 1064 T N -1.424 113.072 114.554 -0.097 0.000 2.711 1064 T HA 0.589 4.940 4.350 0.001 0.000 0.302 1064 T C -1.868 172.757 174.700 -0.126 0.000 1.373 1064 T CA -0.717 61.304 62.100 -0.132 0.000 1.000 1064 T CB 0.848 69.597 68.868 -0.197 0.000 1.483 1064 T HN -0.003 nan 8.240 nan 0.000 0.499 1065 I N 2.248 122.752 120.570 -0.111 0.000 2.656 1065 I HA 0.420 4.590 4.170 0.001 0.000 0.292 1065 I C -0.020 176.066 176.117 -0.053 0.000 1.144 1065 I CA -0.882 60.383 61.300 -0.058 0.000 1.038 1065 I CB 2.525 40.495 38.000 -0.051 0.000 1.244 1065 I HN 0.771 nan 8.210 nan 0.000 0.420 1066 S N 4.432 120.133 115.700 0.001 0.000 2.646 1066 S HA 0.464 4.935 4.470 0.001 0.000 0.276 1066 S C -0.196 174.420 174.600 0.027 0.000 1.222 1066 S CA -0.844 57.360 58.200 0.006 0.000 1.014 1066 S CB 1.408 64.651 63.200 0.072 0.000 0.991 1066 S HN 0.454 nan 8.310 nan 0.000 0.533 1067 E N 2.247 122.458 120.200 0.018 0.000 2.415 1067 E HA 0.246 4.597 4.350 0.001 0.000 0.262 1067 E C -2.029 174.597 176.600 0.043 0.000 1.038 1067 E CA -1.568 54.846 56.400 0.023 0.000 0.921 1067 E CB -0.220 29.488 29.700 0.014 0.000 0.950 1067 E HN 0.548 nan 8.360 nan 0.000 0.438 1068 P HA 0.018 nan 4.420 nan 0.000 0.272 1068 P C -0.526 176.801 177.300 0.045 0.000 1.230 1068 P CA -0.224 62.906 63.100 0.050 0.000 0.788 1068 P CB 0.621 32.343 31.700 0.038 0.000 0.949 1069 D N -0.854 119.574 120.400 0.047 0.000 2.564 1069 D HA 0.053 4.693 4.640 0.001 0.000 0.273 1069 D C 1.210 177.523 176.300 0.021 0.000 1.192 1069 D CA -0.630 53.391 54.000 0.035 0.000 1.080 1069 D CB -0.353 40.468 40.800 0.035 0.000 1.160 1069 D HN 0.483 nan 8.370 nan 0.000 0.607 1070 E N -0.427 119.781 120.200 0.014 0.000 2.324 1070 E HA -0.358 3.993 4.350 0.001 0.000 0.205 1070 E C 0.658 177.262 176.600 0.005 0.000 1.031 1070 E CA 1.942 58.346 56.400 0.008 0.000 0.836 1070 E CB -0.795 28.907 29.700 0.004 0.000 0.742 1070 E HN 0.538 nan 8.360 nan 0.000 0.491 1071 N N -0.641 118.061 118.700 0.004 0.000 2.348 1071 N HA 0.183 4.924 4.740 0.001 0.000 0.183 1071 N C 0.895 176.413 175.510 0.013 0.000 1.094 1071 N CA 0.185 53.236 53.050 0.002 0.000 0.885 1071 N CB 1.257 39.737 38.487 -0.012 0.000 1.065 1071 N HN 0.297 nan 8.380 nan 0.000 0.472 1072 G N 0.870 109.683 108.800 0.021 0.000 2.131 1072 G HA2 -0.218 3.743 3.960 0.001 0.000 0.223 1072 G HA3 -0.218 3.743 3.960 0.001 0.000 0.223 1072 G C -0.680 174.245 174.900 0.043 0.000 0.990 1072 G CA -0.556 44.561 45.100 0.029 0.000 0.671 1072 G HN 0.194 nan 8.290 nan 0.000 0.521 1073 N N 0.828 119.557 118.700 0.048 0.000 2.422 1073 N HA 0.410 5.151 4.740 0.001 0.000 0.264 1073 N C 0.485 176.070 175.510 0.126 0.000 1.063 1073 N CA -0.031 53.069 53.050 0.084 0.000 0.959 1073 N CB 0.807 39.325 38.487 0.051 0.000 1.087 1073 N HN 0.414 nan 8.380 nan 0.000 0.483 1074 R N 0.487 121.072 120.500 0.141 0.000 2.536 1074 R HA 0.439 4.780 4.340 0.001 0.000 0.279 1074 R C -0.282 176.136 176.300 0.197 0.000 1.001 1074 R CA -0.461 55.724 56.100 0.142 0.000 1.027 1074 R CB 1.115 31.466 30.300 0.085 0.000 1.096 1074 R HN 0.353 nan 8.270 nan 0.000 0.502 1075 T N 3.350 118.021 114.554 0.194 0.000 2.772 1075 T HA 0.413 4.764 4.350 0.001 0.000 0.288 1075 T C 0.147 174.947 174.700 0.166 0.000 0.994 1075 T CA -0.508 61.688 62.100 0.160 0.000 0.951 1075 T CB 0.531 69.572 68.868 0.288 0.000 0.933 1075 T HN 0.325 nan 8.240 nan 0.000 0.447 1076 I N 3.740 124.315 120.570 0.009 0.000 2.312 1076 I HA 0.266 4.436 4.170 0.001 0.000 0.290 1076 I C -0.758 175.332 176.117 -0.045 0.000 1.008 1076 I CA -0.959 60.311 61.300 -0.051 0.000 1.226 1076 I CB 0.657 38.510 38.000 -0.246 0.000 1.371 1076 I HN 0.562 nan 8.210 nan 0.000 0.468 1077 Y N 6.627 126.796 120.300 -0.218 0.000 2.595 1077 Y HA 0.334 4.885 4.550 0.001 0.000 0.347 1077 Y C -0.101 175.713 175.900 -0.144 0.000 1.025 1077 Y CA -0.868 57.160 58.100 -0.118 0.000 1.295 1077 Y CB -0.453 37.966 38.460 -0.069 0.000 1.147 1077 Y HN 0.358 nan 8.280 nan 0.000 0.515 1078 Y N 0.948 121.287 120.300 0.066 0.000 2.392 1078 Y HA 0.668 5.218 4.550 0.001 0.000 0.323 1078 Y C 0.339 176.262 175.900 0.039 0.000 1.291 1078 Y CA -1.189 56.937 58.100 0.043 0.000 1.345 1078 Y CB 1.035 39.503 38.460 0.013 0.000 1.320 1078 Y HN 0.478 nan 8.280 nan 0.000 0.518 1079 A N 2.324 125.281 122.820 0.228 0.000 2.335 1079 A HA 0.660 4.981 4.320 0.001 0.000 0.304 1079 A C -1.084 176.562 177.584 0.102 0.000 1.118 1079 A CA -0.681 51.435 52.037 0.132 0.000 0.757 1079 A CB 0.776 19.833 19.000 0.094 0.000 1.188 1079 A HN 0.781 nan 8.150 nan 0.000 0.460 1080 M N 3.372 123.006 119.600 0.057 0.000 2.134 1080 M HA 0.318 4.799 4.480 0.001 0.000 0.310 1080 M C -0.299 176.009 176.300 0.014 0.000 0.966 1080 M CA -0.044 55.266 55.300 0.016 0.000 0.922 1080 M CB 0.406 32.987 32.600 -0.032 0.000 1.537 1080 M HN 0.909 nan 8.290 nan 0.000 0.424 1081 N N 3.745 122.453 118.700 0.013 0.000 2.725 1081 N HA -0.205 4.536 4.740 0.001 0.000 0.251 1081 N C 0.662 176.183 175.510 0.018 0.000 1.031 1081 N CA 0.694 53.751 53.050 0.010 0.000 0.720 1081 N CB -1.033 37.455 38.487 0.001 0.000 0.930 1081 N HN 1.215 nan 8.380 nan 0.000 0.543 1082 G N -0.501 108.315 108.800 0.026 0.000 2.257 1082 G HA2 -0.378 3.583 3.960 0.001 0.000 0.267 1082 G HA3 -0.378 3.583 3.960 0.001 0.000 0.267 1082 G C -0.008 174.915 174.900 0.038 0.000 0.984 1082 G CA 0.834 45.952 45.100 0.031 0.000 0.626 1082 G HN 0.549 nan 8.290 nan 0.000 0.540 1083 Q N 0.561 120.383 119.800 0.037 0.000 2.241 1083 Q HA 0.656 4.997 4.340 0.001 0.000 0.254 1083 Q C 0.454 176.485 176.000 0.052 0.000 0.917 1083 Q CA -0.008 55.821 55.803 0.044 0.000 0.919 1083 Q CB 1.505 30.265 28.738 0.037 0.000 1.237 1083 Q HN 0.648 nan 8.270 nan 0.000 0.434 1084 A N 2.714 125.570 122.820 0.060 0.000 2.407 1084 A HA 0.492 4.812 4.320 0.001 0.000 0.248 1084 A C -0.241 177.372 177.584 0.047 0.000 1.082 1084 A CA -0.023 52.054 52.037 0.068 0.000 0.785 1084 A CB 0.538 19.581 19.000 0.071 0.000 1.020 1084 A HN 0.643 nan 8.150 nan 0.000 0.489 1085 R N 0.124 120.658 120.500 0.057 0.000 2.867 1085 R HA 0.642 4.982 4.340 0.001 0.000 0.268 1085 R C -1.094 175.193 176.300 -0.022 0.000 1.014 1085 R CA -0.534 55.580 56.100 0.023 0.000 0.946 1085 R CB 1.434 31.747 30.300 0.022 0.000 1.208 1085 R HN 0.762 nan 8.270 nan 0.000 0.477 1086 R N 2.816 123.255 120.500 -0.102 0.000 2.500 1086 R HA 0.492 4.833 4.340 0.001 0.000 0.299 1086 R C -1.100 175.004 176.300 -0.326 0.000 1.038 1086 R CA -0.703 55.222 56.100 -0.292 0.000 0.903 1086 R CB 1.165 31.234 30.300 -0.386 0.000 1.177 1086 R HN 0.376 nan 8.270 nan 0.000 0.455 1087 I N 4.072 124.459 120.570 -0.306 0.000 2.509 1087 I HA 0.319 4.490 4.170 0.001 0.000 0.293 1087 I C -0.657 175.258 176.117 -0.338 0.000 1.020 1087 I CA -1.093 60.086 61.300 -0.201 0.000 1.088 1087 I CB 1.664 39.741 38.000 0.128 0.000 1.267 1087 I HN 0.544 nan 8.210 nan 0.000 0.430 1088 Y N 5.742 126.081 120.300 0.065 0.000 2.342 1088 Y HA 0.473 5.023 4.550 0.001 0.000 0.338 1088 Y C 0.168 176.105 175.900 0.062 0.000 0.965 1088 Y CA -0.723 57.409 58.100 0.053 0.000 1.159 1088 Y CB 1.427 39.908 38.460 0.035 0.000 1.157 1088 Y HN 0.216 nan 8.280 nan 0.000 0.486 1089 I N 4.113 124.802 120.570 0.199 0.000 2.382 1089 I HA 0.187 4.357 4.170 0.001 0.000 0.286 1089 I C -0.215 175.968 176.117 0.110 0.000 1.002 1089 I CA -1.240 60.139 61.300 0.132 0.000 1.135 1089 I CB 1.526 39.581 38.000 0.092 0.000 1.288 1089 I HN 0.477 nan 8.210 nan 0.000 0.448 1090 K N 4.580 125.034 120.400 0.091 0.000 2.412 1090 K HA -0.001 4.320 4.320 0.001 0.000 0.284 1090 K C -0.237 176.393 176.600 0.049 0.000 1.046 1090 K CA 0.137 56.463 56.287 0.064 0.000 0.999 1090 K CB 0.150 32.681 32.500 0.052 0.000 0.941 1090 K HN 0.416 nan 8.250 nan 0.000 0.474 1091 D N 3.839 124.265 120.400 0.043 0.000 2.316 1091 D HA 0.056 4.696 4.640 0.001 0.000 0.245 1091 D C 0.322 176.636 176.300 0.023 0.000 1.171 1091 D CA -0.048 53.971 54.000 0.031 0.000 0.856 1091 D CB 1.034 41.852 40.800 0.030 0.000 1.090 1091 D HN 0.550 nan 8.370 nan 0.000 0.476 1092 E N 2.951 123.161 120.200 0.018 0.000 2.058 1092 E HA -0.052 4.299 4.350 0.001 0.000 0.194 1092 E C 0.349 176.957 176.600 0.013 0.000 0.997 1092 E CA 1.022 57.430 56.400 0.014 0.000 0.801 1092 E CB -0.114 29.591 29.700 0.009 0.000 0.746 1092 E HN 0.764 nan 8.360 nan 0.000 0.450 1093 N N 0.000 118.707 118.700 0.011 0.000 1.763 1093 N HA 0.000 4.741 4.740 0.001 0.000 0.220 1093 N CA 0.000 53.056 53.050 0.011 0.000 0.885 1093 N CB 0.000 38.494 38.487 0.012 0.000 1.341 1093 N HN 0.000 nan 8.380 nan 0.000 0.667