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 3pvm_1_B DATA FIRST_RESID 23 DATA SEQUENCE ALYTLITPAV LRTDTEEQIL VEAHGDSTPK QLDIFVHDFP RKQKTLFQTR DATA SEQUENCE VDMNPAGGML VTPTIEIPAK EVSTDSRQNQ YVVVQVTGPQ VRLEKVVLLS DATA SEQUENCE YQSSFLFIQT DKGIYTPGSP VLYRVFSMDH NTSKMNKTVI VEFQTPEGIL DATA SEQUENCE VSSNSVDLNF FWPYNLPDLV SLGTWRIVAK YEHSPENYTA YFDVRKYVLP DATA SEQUENCE SFEVRLQPSE KFFYIDGNEN FHVSITARYL YGEEVEGVAF VLFGVKIDDA DATA SEQUENCE KKSIPDSLTR IPIIDGDGKA TLKRDTFRSR FPNLNELVGH TLYASVTVMT DATA SEQUENCE ESGSDMVVTE QSGIHIVASP YQIHFTKTPK YFKPGMPYEL TVYVTNPDGS DATA SEQUENCE PAAHVPVVSE AFHSMGTTLS DGTAKLILNI PLNAQSLPIT VRTNHGDLPR DATA SEQUENCE ERQATKSMTA IAYQTQGGSG NYLHVAITST EIKPGDNLPV NFNVKGNANS DATA SEQUENCE LKQIKYFTYL ILNKGKIFKV GRQPRRDGQN LVTMNLHITP DLIPSFRFVA DATA SEQUENCE YYQVGNNEIV ADSVWVDVKD TcMGTLVVKG DNLIQMPGAA MKIKLEGDPG DATA SEQUENCE ARVGLVAVDK AVYVLNDKYK ISQAKIWDTI EKSDFGcTAG SGQNNLGVFE DATA SEQUENCE DAGLALTTST NLNTKQRSAA KcPQPAXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXNEDGFIAD SDIISRSDFP KSWLWLTKDL TEEPNSQGIS DATA SEQUENCE SKTMSFYLRD SITTWVVLAV SFTPTKGIcV AEPYEIRVMK VFFIDLQMPY DATA SEQUENCE SVVKNEQVEI RAILHNYVNE DIYVRVELLY NPAFcSASTK GQRYRQQFPI DATA SEQUENCE KALSSRAVPF VIVPLEQGLH DVEIKASVQE ALWSDGVRKK LKVVPEGVQK DATA SEQUENCE SIVTIVKLDP RAKGVGGTQL EVIKARKLDD RVPDTEIETK IIIQGDPXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXHKD DATA SEQUENCE LNLDITIELP DREVPIRYRI NYENALLART VETKLNQDIT VTASGDGKAT DATA SEQUENCE MTILTFYNAQ LXXXXXVcNK FHLNVSVENI HLNXXXXKGA LMLKIcTRYL DATA SEQUENCE GEVDSTMTII DISMLTGFLP DAEDLTRLSK GVDRYISRYE VDNNMAQKVA DATA SEQUENCE VIIYLNKVSH SEDEcLHFKI LKHFEVGFIQ PGSVKVYSYY NLDEKcTKFY DATA SEQUENCE HPDKGTGLLN KIcIGNVcRc AGETcSSLNH QERIDVPLQI EKAcETNVDY DATA SEQUENCE VYKTKLLRIE EQDGNDIYVM DVLEVIKQGT DENPRAKTHQ YISQRKcQEA DATA SEQUENCE LNLKVNDDYL IWGSRSDLLP TKDKISYIIT KNTWIERWPH EDEcQEEEFQ DATA SEQUENCE KLcDDFAQFS YTLTEFGcPT 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.371 177.584 -0.355 0.000 1.274 23 A CA 0.000 51.900 52.037 -0.228 0.000 0.836 23 A CB 0.000 18.934 19.000 -0.110 0.000 0.831 24 L N 1.065 122.036 121.223 -0.421 0.000 2.333 24 L HA 0.804 5.144 4.340 -0.000 0.000 0.280 24 L C -1.746 174.874 176.870 -0.417 0.000 1.004 24 L CA -0.805 53.844 54.840 -0.320 0.000 0.820 24 L CB 1.102 43.109 42.059 -0.085 0.000 1.247 24 L HN 0.183 nan 8.230 nan 0.000 0.416 25 Y N 2.221 122.582 120.300 0.102 0.000 2.364 25 Y HA 0.702 5.252 4.550 -0.000 0.000 0.340 25 Y C 0.292 176.246 175.900 0.090 0.000 0.975 25 Y CA -0.896 57.261 58.100 0.094 0.000 1.089 25 Y CB 2.144 40.634 38.460 0.050 0.000 1.192 25 Y HN 0.625 nan 8.280 nan 0.000 0.454 26 T N 1.524 116.242 114.554 0.273 0.000 2.886 26 T HA 0.655 5.005 4.350 -0.000 0.000 0.292 26 T C -1.523 173.272 174.700 0.159 0.000 1.012 26 T CA -0.792 61.416 62.100 0.181 0.000 0.982 26 T CB 1.523 70.510 68.868 0.200 0.000 1.018 26 T HN 0.439 nan 8.240 nan 0.000 0.451 27 L N 4.015 125.302 121.223 0.108 0.000 2.325 27 L HA 0.767 5.107 4.340 -0.000 0.000 0.281 27 L C -1.382 175.548 176.870 0.101 0.000 1.004 27 L CA -1.009 53.889 54.840 0.097 0.000 0.823 27 L CB 0.818 42.916 42.059 0.065 0.000 1.236 27 L HN 0.802 nan 8.230 nan 0.000 0.415 28 I N 4.422 125.076 120.570 0.139 0.000 2.509 28 I HA 0.714 4.884 4.170 -0.000 0.000 0.293 28 I C -0.124 176.063 176.117 0.116 0.000 1.020 28 I CA -0.395 61.005 61.300 0.167 0.000 1.088 28 I CB 2.176 40.347 38.000 0.286 0.000 1.267 28 I HN 0.757 nan 8.210 nan 0.000 0.430 29 T N 2.876 117.481 114.554 0.085 0.000 2.792 29 T HA 0.533 4.883 4.350 -0.000 0.000 0.303 29 T C -3.048 171.663 174.700 0.017 0.000 1.310 29 T CA -2.087 60.036 62.100 0.039 0.000 1.007 29 T CB 2.029 70.896 68.868 -0.003 0.000 1.335 29 T HN 0.133 nan 8.240 nan 0.000 0.504 30 P HA 0.283 nan 4.420 nan 0.000 0.266 30 P C 0.749 177.961 177.300 -0.147 0.000 1.195 30 P CA 0.052 63.116 63.100 -0.060 0.000 0.768 30 P CB 0.268 31.924 31.700 -0.073 0.000 0.838 31 A N 3.126 125.831 122.820 -0.192 0.000 1.978 31 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 31 A C 0.725 178.052 177.584 -0.427 0.000 1.170 31 A CA 1.646 53.524 52.037 -0.264 0.000 0.636 31 A CB -0.446 18.417 19.000 -0.228 0.000 0.810 31 A HN 0.438 nan 8.150 nan 0.000 0.448 32 V N -0.101 119.420 119.914 -0.656 0.000 2.623 32 V HA 0.404 4.524 4.120 -0.000 0.000 0.304 32 V C -0.831 174.997 176.094 -0.443 0.000 1.054 32 V CA -0.509 61.374 62.300 -0.696 0.000 0.882 32 V CB 1.746 32.849 31.823 -1.199 0.000 1.002 32 V HN 0.323 nan 8.190 nan 0.000 0.424 33 L N 4.784 125.853 121.223 -0.256 0.000 2.295 33 L HA 0.600 4.940 4.340 -0.000 0.000 0.285 33 L C 0.395 177.202 176.870 -0.105 0.000 1.035 33 L CA -0.546 54.206 54.840 -0.148 0.000 0.806 33 L CB 1.340 43.317 42.059 -0.136 0.000 1.214 33 L HN 0.514 nan 8.230 nan 0.000 0.426 34 R N 1.738 122.200 120.500 -0.063 0.000 2.216 34 R HA 0.231 4.571 4.340 -0.000 0.000 0.332 34 R C 0.151 176.399 176.300 -0.088 0.000 1.056 34 R CA -0.460 55.598 56.100 -0.069 0.000 0.901 34 R CB 0.780 31.033 30.300 -0.079 0.000 1.039 34 R HN 0.663 nan 8.270 nan 0.000 0.456 35 T N -0.416 114.078 114.554 -0.099 0.000 2.791 35 T HA -0.064 4.286 4.350 -0.000 0.000 0.323 35 T C 0.451 175.119 174.700 -0.053 0.000 1.082 35 T CA -0.529 61.525 62.100 -0.077 0.000 1.084 35 T CB 0.349 69.171 68.868 -0.076 0.000 0.992 35 T HN 0.634 nan 8.240 nan 0.000 0.547 36 D N 0.131 120.514 120.400 -0.028 0.000 2.739 36 D HA -0.132 4.508 4.640 -0.000 0.000 0.230 36 D C -0.402 175.875 176.300 -0.039 0.000 1.167 36 D CA 1.396 55.384 54.000 -0.021 0.000 0.640 36 D CB -1.303 39.485 40.800 -0.020 0.000 1.045 36 D HN 0.790 nan 8.370 nan 0.000 0.421 37 T N 0.008 114.535 114.554 -0.044 0.000 3.293 37 T HA 0.137 4.487 4.350 -0.000 0.000 0.320 37 T C -0.308 174.366 174.700 -0.043 0.000 0.995 37 T CA -0.781 61.285 62.100 -0.057 0.000 1.041 37 T CB 2.195 70.996 68.868 -0.113 0.000 1.058 37 T HN 0.140 nan 8.240 nan 0.000 0.453 38 E N 2.777 122.965 120.200 -0.020 0.000 2.568 38 E HA 0.015 4.365 4.350 -0.000 0.000 0.262 38 E C -0.407 176.172 176.600 -0.035 0.000 0.961 38 E CA 0.597 56.987 56.400 -0.017 0.000 0.945 38 E CB 0.542 30.248 29.700 0.009 0.000 0.924 38 E HN 0.427 nan 8.360 nan 0.000 0.467 39 E N 3.179 123.344 120.200 -0.059 0.000 2.367 39 E HA 0.196 4.546 4.350 -0.000 0.000 0.273 39 E C -1.166 175.400 176.600 -0.056 0.000 0.903 39 E CA -0.714 55.653 56.400 -0.055 0.000 0.764 39 E CB 2.057 31.711 29.700 -0.076 0.000 1.252 39 E HN 0.517 nan 8.360 nan 0.000 0.446 40 Q N 2.117 121.909 119.800 -0.013 0.000 2.331 40 Q HA 0.511 4.851 4.340 -0.000 0.000 0.267 40 Q C -0.508 175.496 176.000 0.006 0.000 1.006 40 Q CA -0.527 55.277 55.803 0.002 0.000 0.818 40 Q CB 1.466 30.235 28.738 0.052 0.000 1.276 40 Q HN 0.517 nan 8.270 nan 0.000 0.450 41 I N 0.190 120.755 120.570 -0.008 0.000 2.797 41 I HA 0.625 4.795 4.170 -0.000 0.000 0.307 41 I C -1.412 174.729 176.117 0.041 0.000 1.033 41 I CA -1.361 59.947 61.300 0.013 0.000 1.071 41 I CB 1.502 39.495 38.000 -0.013 0.000 1.255 41 I HN 0.435 nan 8.210 nan 0.000 0.445 42 L N 5.196 126.463 121.223 0.073 0.000 2.313 42 L HA 0.713 5.053 4.340 -0.000 0.000 0.283 42 L C -1.179 175.754 176.870 0.104 0.000 1.013 42 L CA -0.400 54.497 54.840 0.096 0.000 0.816 42 L CB 1.612 43.753 42.059 0.137 0.000 1.236 42 L HN 0.579 nan 8.230 nan 0.000 0.419 43 V N 5.036 125.004 119.914 0.089 0.000 2.638 43 V HA 0.582 4.702 4.120 -0.000 0.000 0.306 43 V C -0.766 175.384 176.094 0.094 0.000 1.052 43 V CA -0.463 61.895 62.300 0.098 0.000 0.885 43 V CB 2.171 34.038 31.823 0.073 0.000 0.999 43 V HN 0.856 nan 8.190 nan 0.000 0.424 44 E N 2.880 123.155 120.200 0.125 0.000 2.293 44 E HA 0.756 5.106 4.350 -0.000 0.000 0.270 44 E C -0.992 175.659 176.600 0.084 0.000 0.879 44 E CA -0.784 55.649 56.400 0.055 0.000 0.756 44 E CB 2.430 32.162 29.700 0.053 0.000 1.208 44 E HN 0.757 nan 8.360 nan 0.000 0.428 45 A N 3.502 126.316 122.820 -0.009 0.000 2.287 45 A HA 0.434 4.754 4.320 -0.000 0.000 0.317 45 A C -1.014 176.462 177.584 -0.180 0.000 1.220 45 A CA -0.637 51.423 52.037 0.038 0.000 0.835 45 A CB 0.507 19.630 19.000 0.205 0.000 1.180 45 A HN 0.569 nan 8.150 nan 0.000 0.500 46 H N 1.408 120.489 119.070 0.018 0.000 2.504 46 H HA 0.456 5.012 4.556 -0.000 0.000 0.322 46 H C 0.842 176.153 175.328 -0.029 0.000 1.055 46 H CA 0.627 56.719 56.048 0.073 0.000 1.231 46 H CB 1.522 31.323 29.762 0.064 0.000 1.417 46 H HN 1.319 nan 8.280 nan 0.000 0.472 47 G N 3.508 112.386 108.800 0.130 0.000 2.502 47 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.273 47 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.273 47 G C -0.436 174.474 174.900 0.016 0.000 1.021 47 G CA 0.404 45.535 45.100 0.051 0.000 1.333 47 G HN 0.822 nan 8.290 nan 0.000 0.508 48 D N -0.067 120.356 120.400 0.040 0.000 3.204 48 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 48 D C 0.811 177.143 176.300 0.053 0.000 1.451 48 D CA 0.144 54.172 54.000 0.047 0.000 1.183 48 D CB -0.477 40.365 40.800 0.070 0.000 1.348 48 D HN 0.150 nan 8.370 nan 0.000 0.664 49 S N 0.747 116.472 115.700 0.041 0.000 3.009 49 S HA 0.134 4.604 4.470 -0.000 0.000 0.243 49 S C 0.593 175.212 174.600 0.031 0.000 1.012 49 S CA 0.273 58.493 58.200 0.034 0.000 1.113 49 S CB -0.508 62.710 63.200 0.029 0.000 0.827 49 S HN 0.570 nan 8.310 nan 0.000 0.495 50 T N 0.498 115.076 114.554 0.040 0.000 2.770 50 T HA 0.486 4.836 4.350 -0.000 0.000 0.283 50 T C -2.931 171.791 174.700 0.037 0.000 0.988 50 T CA -2.681 59.440 62.100 0.035 0.000 0.957 50 T CB 1.185 70.075 68.868 0.037 0.000 0.930 50 T HN -0.169 nan 8.240 nan 0.000 0.443 51 P HA 0.177 nan 4.420 nan 0.000 0.268 51 P C -0.316 176.997 177.300 0.022 0.000 1.189 51 P CA 0.036 63.150 63.100 0.022 0.000 0.771 51 P CB 0.388 32.097 31.700 0.017 0.000 0.822 52 K N 1.086 121.497 120.400 0.019 0.000 2.548 52 K HA 0.413 4.733 4.320 -0.000 0.000 0.282 52 K C -0.973 175.632 176.600 0.008 0.000 1.006 52 K CA -0.757 55.536 56.287 0.010 0.000 0.892 52 K CB 1.990 34.494 32.500 0.006 0.000 1.499 52 K HN 0.324 nan 8.250 nan 0.000 0.433 53 Q N 2.431 122.232 119.800 0.001 0.000 2.444 53 Q HA 0.324 4.663 4.340 -0.000 0.000 0.251 53 Q C -1.370 174.632 176.000 0.004 0.000 0.939 53 Q CA -0.426 55.382 55.803 0.009 0.000 0.740 53 Q CB 1.278 30.023 28.738 0.013 0.000 1.308 53 Q HN 0.463 nan 8.270 nan 0.000 0.461 54 L N -0.947 120.282 121.223 0.010 0.000 2.334 54 L HA 0.735 5.075 4.340 -0.000 0.000 0.272 54 L C -0.421 176.478 176.870 0.049 0.000 1.020 54 L CA -1.110 53.734 54.840 0.007 0.000 0.812 54 L CB 1.205 43.256 42.059 -0.014 0.000 1.264 54 L HN 0.178 nan 8.230 nan 0.000 0.439 55 D N 2.049 122.484 120.400 0.058 0.000 2.192 55 D HA 0.551 5.191 4.640 -0.000 0.000 0.246 55 D C -0.402 176.025 176.300 0.212 0.000 1.042 55 D CA -0.139 53.955 54.000 0.158 0.000 0.847 55 D CB 1.891 42.812 40.800 0.201 0.000 1.186 55 D HN 0.387 nan 8.370 nan 0.000 0.461 56 I N 0.161 120.909 120.570 0.297 0.000 2.377 56 I HA 0.556 4.726 4.170 -0.000 0.000 0.293 56 I C -0.576 175.812 176.117 0.452 0.000 0.987 56 I CA -0.645 60.836 61.300 0.302 0.000 1.185 56 I CB 0.507 38.622 38.000 0.191 0.000 1.341 56 I HN 0.233 nan 8.210 nan 0.000 0.455 57 F N 3.867 123.846 119.950 0.047 0.000 2.581 57 F HA 0.607 5.134 4.527 -0.000 0.000 0.311 57 F C -0.585 175.161 175.800 -0.091 0.000 1.113 57 F CA -0.808 57.172 58.000 -0.033 0.000 0.935 57 F CB 2.527 41.501 39.000 -0.043 0.000 1.232 57 F HN 0.185 nan 8.300 nan 0.000 0.445 58 V N 3.213 123.053 119.914 -0.123 0.000 2.525 58 V HA 0.497 4.617 4.120 -0.000 0.000 0.299 58 V C -0.806 175.152 176.094 -0.226 0.000 1.034 58 V CA -0.793 61.451 62.300 -0.093 0.000 0.863 58 V CB 1.512 33.332 31.823 -0.005 0.000 0.999 58 V HN 0.671 nan 8.190 nan 0.000 0.423 59 H N 2.396 121.550 119.070 0.140 0.000 2.731 59 H HA 0.430 4.986 4.556 -0.000 0.000 0.368 59 H C -0.656 174.748 175.328 0.127 0.000 1.168 59 H CA -0.675 55.444 56.048 0.118 0.000 1.181 59 H CB 2.328 32.165 29.762 0.125 0.000 1.743 59 H HN 0.907 nan 8.280 nan 0.000 0.547 60 D N 0.953 121.501 120.400 0.246 0.000 2.382 60 D HA -0.006 4.634 4.640 -0.000 0.000 0.240 60 D C -0.446 175.985 176.300 0.219 0.000 1.146 60 D CA 0.033 54.150 54.000 0.196 0.000 0.897 60 D CB 1.113 41.993 40.800 0.134 0.000 1.197 60 D HN 0.159 nan 8.370 nan 0.000 0.432 61 F N 1.383 121.389 119.950 0.093 0.000 2.450 61 F HA 0.281 4.808 4.527 -0.000 0.000 0.332 61 F C -1.522 174.286 175.800 0.014 0.000 1.093 61 F CA -2.104 55.937 58.000 0.068 0.000 1.003 61 F CB 2.071 41.136 39.000 0.108 0.000 1.151 61 F HN 0.173 nan 8.300 nan 0.000 0.474 62 P HA 0.096 nan 4.420 nan 0.000 0.252 62 P C 0.644 177.613 177.300 -0.551 0.000 1.218 62 P CA 0.556 62.944 63.100 -1.187 0.000 0.807 62 P CB 0.246 31.343 31.700 -1.004 0.000 1.072 63 R N 1.721 122.069 120.500 -0.254 0.000 2.285 63 R HA -0.028 4.312 4.340 -0.000 0.000 0.213 63 R C 0.935 177.158 176.300 -0.128 0.000 1.068 63 R CA 0.583 56.587 56.100 -0.158 0.000 1.004 63 R CB -0.759 29.490 30.300 -0.085 0.000 0.873 63 R HN 0.269 nan 8.270 nan 0.000 0.467 64 K N 0.530 120.868 120.400 -0.105 0.000 3.177 64 K HA -0.329 3.991 4.320 -0.000 0.000 0.266 64 K C 0.132 176.652 176.600 -0.134 0.000 0.937 64 K CA 1.347 57.572 56.287 -0.102 0.000 0.702 64 K CB -1.554 30.835 32.500 -0.184 0.000 1.365 64 K HN 0.370 nan 8.250 nan 0.000 0.466 65 Q N 0.712 120.489 119.800 -0.038 0.000 2.049 65 Q HA -0.073 4.267 4.340 -0.000 0.000 0.198 65 Q C 0.283 176.291 176.000 0.012 0.000 0.971 65 Q CA 1.792 57.582 55.803 -0.023 0.000 0.833 65 Q CB 0.047 28.785 28.738 0.001 0.000 0.896 65 Q HN 0.782 nan 8.270 nan 0.000 0.434 66 K N -0.196 120.258 120.400 0.091 0.000 2.435 66 K HA 0.446 4.766 4.320 -0.000 0.000 0.251 66 K C -1.055 175.706 176.600 0.269 0.000 0.954 66 K CA -0.665 55.700 56.287 0.130 0.000 0.820 66 K CB 1.699 34.243 32.500 0.072 0.000 1.292 66 K HN -0.354 nan 8.250 nan 0.000 0.436 67 T N 3.505 118.166 114.554 0.179 0.000 2.978 67 T HA 0.062 4.412 4.350 -0.000 0.000 0.278 67 T C 1.093 175.752 174.700 -0.067 0.000 0.945 67 T CA -0.401 61.714 62.100 0.026 0.000 1.070 67 T CB -0.152 68.672 68.868 -0.072 0.000 0.948 67 T HN 0.347 nan 8.240 nan 0.000 0.617 68 L N 2.218 123.413 121.223 -0.047 0.000 2.056 68 L HA 0.305 4.645 4.340 -0.000 0.000 0.207 68 L C 0.544 177.435 176.870 0.035 0.000 1.078 68 L CA 1.369 56.211 54.840 0.003 0.000 0.749 68 L CB -0.835 41.248 42.059 0.040 0.000 0.901 68 L HN 0.596 nan 8.230 nan 0.000 0.433 69 F N -0.702 119.138 119.950 -0.183 0.000 2.604 69 F HA 0.479 5.006 4.527 -0.000 0.000 0.316 69 F C -0.505 175.137 175.800 -0.263 0.000 1.136 69 F CA -0.743 57.154 58.000 -0.171 0.000 0.989 69 F CB 1.253 40.190 39.000 -0.105 0.000 1.258 69 F HN -0.058 nan 8.300 nan 0.000 0.451 70 Q N 4.792 124.300 119.800 -0.485 0.000 2.347 70 Q HA 0.668 5.008 4.340 -0.000 0.000 0.271 70 Q C -1.789 174.009 176.000 -0.337 0.000 1.064 70 Q CA -0.396 55.187 55.803 -0.368 0.000 0.800 70 Q CB 2.659 31.048 28.738 -0.581 0.000 1.304 70 Q HN 0.843 nan 8.270 nan 0.000 0.438 71 T N 1.688 116.280 114.554 0.063 0.000 2.749 71 T HA 0.464 4.814 4.350 -0.000 0.000 0.310 71 T C -1.918 172.872 174.700 0.150 0.000 1.496 71 T CA -0.622 61.533 62.100 0.091 0.000 1.006 71 T CB 1.667 70.673 68.868 0.230 0.000 1.457 71 T HN 0.639 nan 8.240 nan 0.000 0.497 72 R N 1.333 121.896 120.500 0.105 0.000 2.711 72 R HA 0.863 5.203 4.340 -0.000 0.000 0.284 72 R C -1.787 174.563 176.300 0.083 0.000 0.968 72 R CA -0.510 55.648 56.100 0.096 0.000 0.924 72 R CB 1.394 31.735 30.300 0.069 0.000 1.162 72 R HN 0.436 nan 8.270 nan 0.000 0.465 73 V N 2.342 122.298 119.914 0.071 0.000 2.971 73 V HA 0.266 4.386 4.120 -0.000 0.000 0.309 73 V C -1.233 174.884 176.094 0.039 0.000 1.130 73 V CA -1.076 61.257 62.300 0.055 0.000 0.964 73 V CB 2.405 34.263 31.823 0.058 0.000 1.029 73 V HN 0.860 nan 8.190 nan 0.000 0.427 74 D N 2.780 123.199 120.400 0.032 0.000 2.312 74 D HA 0.694 5.334 4.640 -0.000 0.000 0.248 74 D C -0.268 176.045 176.300 0.021 0.000 1.086 74 D CA -0.413 53.602 54.000 0.024 0.000 0.948 74 D CB 1.390 42.202 40.800 0.021 0.000 1.162 74 D HN 0.559 nan 8.370 nan 0.000 0.446 75 M N 2.113 121.724 119.600 0.018 0.000 2.206 75 M HA 0.255 4.735 4.480 -0.000 0.000 0.272 75 M C -2.162 174.146 176.300 0.014 0.000 1.012 75 M CA -0.632 54.677 55.300 0.015 0.000 0.986 75 M CB 1.288 33.900 32.600 0.020 0.000 1.740 75 M HN 0.591 nan 8.290 nan 0.000 0.472 76 N N 5.432 124.136 118.700 0.007 0.000 2.469 76 N HA 0.647 5.387 4.740 -0.000 0.000 0.286 76 N C -2.748 172.761 175.510 -0.002 0.000 1.275 76 N CA -1.499 51.555 53.050 0.007 0.000 0.790 76 N CB 1.088 39.579 38.487 0.007 0.000 1.446 76 N HN 0.288 nan 8.380 nan 0.000 0.501 77 P HA -0.131 nan 4.420 nan 0.000 0.218 77 P C 1.154 178.444 177.300 -0.016 0.000 1.148 77 P CA 1.877 64.974 63.100 -0.006 0.000 0.822 77 P CB -0.048 31.654 31.700 0.004 0.000 0.784 78 A N 1.024 123.837 122.820 -0.011 0.000 1.841 78 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 78 A C 2.450 180.019 177.584 -0.025 0.000 1.199 78 A CA 1.990 54.019 52.037 -0.013 0.000 0.621 78 A CB -2.017 16.979 19.000 -0.006 0.000 0.835 78 A HN 0.296 nan 8.150 nan 0.000 0.445 79 G N -1.487 107.299 108.800 -0.023 0.000 3.079 79 G HA2 0.329 4.289 3.960 -0.000 0.000 0.205 79 G HA3 0.329 4.289 3.960 -0.000 0.000 0.205 79 G C 1.241 176.105 174.900 -0.060 0.000 1.203 79 G CA 0.663 45.745 45.100 -0.030 0.000 0.929 79 G HN 1.752 nan 8.290 nan 0.000 0.498 80 G N -0.891 107.860 108.800 -0.082 0.000 2.196 80 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.268 80 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.268 80 G C 0.788 175.576 174.900 -0.186 0.000 0.975 80 G CA 0.526 45.534 45.100 -0.154 0.000 0.648 80 G HN 1.010 nan 8.290 nan 0.000 0.538 81 M N -1.977 117.558 119.600 -0.108 0.000 2.665 81 M HA -0.094 4.386 4.480 -0.000 0.000 0.217 81 M C 0.122 176.367 176.300 -0.091 0.000 0.487 81 M CA 1.613 56.862 55.300 -0.084 0.000 0.657 81 M CB -2.323 30.228 32.600 -0.082 0.000 2.412 81 M HN 1.735 nan 8.290 nan 0.000 0.767 82 L N -2.031 119.156 121.223 -0.060 0.000 2.892 82 L HA 1.045 5.385 4.340 -0.000 0.000 0.269 82 L C -1.179 175.690 176.870 -0.002 0.000 1.058 82 L CA -1.057 53.765 54.840 -0.030 0.000 0.923 82 L CB 2.444 44.473 42.059 -0.051 0.000 1.518 82 L HN 0.252 nan 8.230 nan 0.000 0.402 83 V N -2.311 117.616 119.914 0.022 0.000 2.969 83 V HA 0.629 4.749 4.120 -0.000 0.000 0.304 83 V C -0.015 176.103 176.094 0.040 0.000 1.192 83 V CA 0.307 62.624 62.300 0.029 0.000 0.962 83 V CB 1.395 33.237 31.823 0.033 0.000 1.045 83 V HN 0.954 nan 8.190 nan 0.000 0.428 84 T N -0.021 114.556 114.554 0.038 0.000 3.243 84 T HA 0.514 4.864 4.350 -0.000 0.000 0.245 84 T C -2.272 172.450 174.700 0.036 0.000 1.263 84 T CA -1.498 60.627 62.100 0.042 0.000 1.228 84 T CB -0.118 68.778 68.868 0.046 0.000 1.097 84 T HN 0.619 nan 8.240 nan 0.000 0.628 85 P HA 0.231 nan 4.420 nan 0.000 0.268 85 P C -0.277 177.012 177.300 -0.018 0.000 1.205 85 P CA -0.009 63.102 63.100 0.018 0.000 0.771 85 P CB 0.469 32.179 31.700 0.017 0.000 0.858 86 T N 2.830 117.372 114.554 -0.021 0.000 2.874 86 T HA 0.514 4.864 4.350 -0.000 0.000 0.321 86 T C 0.435 175.019 174.700 -0.194 0.000 1.075 86 T CA -0.578 61.486 62.100 -0.060 0.000 0.966 86 T CB -0.432 68.442 68.868 0.008 0.000 1.001 86 T HN 0.100 nan 8.240 nan 0.000 0.476 87 I N 0.345 120.656 120.570 -0.432 0.000 2.970 87 I HA 0.668 4.838 4.170 -0.000 0.000 0.310 87 I C 0.433 176.246 176.117 -0.505 0.000 1.010 87 I CA -0.924 59.758 61.300 -1.030 0.000 1.228 87 I CB 0.451 37.881 38.000 -0.951 0.000 1.433 87 I HN 0.563 nan 8.210 nan 0.000 0.573 88 E N 2.329 122.290 120.200 -0.397 0.000 2.466 88 E HA 0.450 4.800 4.350 -0.000 0.000 0.308 88 E C -1.478 175.213 176.600 0.151 0.000 0.933 88 E CA -0.297 56.120 56.400 0.027 0.000 0.800 88 E CB 0.879 30.678 29.700 0.165 0.000 1.434 88 E HN 0.584 nan 8.360 nan 0.000 0.389 89 I N 4.745 125.336 120.570 0.035 0.000 2.529 89 I HA 0.303 4.473 4.170 -0.000 0.000 0.284 89 I C -2.079 174.058 176.117 0.034 0.000 1.082 89 I CA -1.887 59.441 61.300 0.046 0.000 1.406 89 I CB 0.581 38.575 38.000 -0.010 0.000 1.405 89 I HN 0.306 nan 8.210 nan 0.000 0.548 90 P HA 0.266 nan 4.420 nan 0.000 0.300 90 P C -0.106 177.212 177.300 0.029 0.000 1.326 90 P CA -0.583 62.535 63.100 0.028 0.000 0.844 90 P CB 1.793 33.510 31.700 0.028 0.000 0.992 91 A N 3.454 126.295 122.820 0.035 0.000 2.167 91 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 91 A C 1.842 179.475 177.584 0.081 0.000 1.151 91 A CA 0.986 53.069 52.037 0.077 0.000 0.735 91 A CB -0.815 18.254 19.000 0.115 0.000 0.802 91 A HN 0.450 nan 8.150 nan 0.000 0.467 92 K N -0.233 120.193 120.400 0.044 0.000 2.280 92 K HA -0.108 4.212 4.320 -0.000 0.000 0.202 92 K C 1.013 177.634 176.600 0.034 0.000 1.047 92 K CA 1.165 57.468 56.287 0.026 0.000 0.942 92 K CB 0.069 32.572 32.500 0.005 0.000 0.739 92 K HN 0.417 nan 8.250 nan 0.000 0.457 93 E N 0.157 120.383 120.200 0.044 0.000 2.472 93 E HA 0.019 4.369 4.350 -0.000 0.000 0.196 93 E C -0.181 176.461 176.600 0.070 0.000 1.033 93 E CA 0.178 56.606 56.400 0.046 0.000 0.886 93 E CB 0.682 30.404 29.700 0.036 0.000 0.944 93 E HN -0.044 nan 8.360 nan 0.000 0.492 94 V N 2.896 122.868 119.914 0.097 0.000 2.408 94 V HA 0.029 4.149 4.120 -0.000 0.000 0.267 94 V C 1.392 177.593 176.094 0.178 0.000 1.047 94 V CA 0.169 62.557 62.300 0.147 0.000 0.937 94 V CB 1.079 33.014 31.823 0.186 0.000 0.999 94 V HN 0.126 nan 8.190 nan 0.000 0.472 95 S N 2.013 117.801 115.700 0.147 0.000 2.548 95 S HA 0.031 4.501 4.470 -0.000 0.000 0.215 95 S C 0.831 175.509 174.600 0.130 0.000 0.976 95 S CA -0.218 58.055 58.200 0.122 0.000 0.908 95 S CB -0.177 63.077 63.200 0.090 0.000 0.781 95 S HN 0.671 nan 8.310 nan 0.000 0.519 96 T N 3.044 117.703 114.554 0.176 0.000 2.860 96 T HA 0.247 4.597 4.350 -0.000 0.000 0.299 96 T C -0.229 174.506 174.700 0.058 0.000 1.045 96 T CA -0.234 61.957 62.100 0.152 0.000 1.071 96 T CB 0.556 69.562 68.868 0.231 0.000 0.985 96 T HN 0.226 nan 8.240 nan 0.000 0.537 97 D N 0.186 120.586 120.400 -0.000 0.000 2.387 97 D HA 0.157 4.797 4.640 -0.000 0.000 0.251 97 D C 1.170 177.356 176.300 -0.189 0.000 1.141 97 D CA -0.457 53.480 54.000 -0.105 0.000 0.987 97 D CB 1.072 41.851 40.800 -0.035 0.000 1.116 97 D HN 0.491 nan 8.370 nan 0.000 0.491 98 S N 0.885 116.424 115.700 -0.268 0.000 2.660 98 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 98 S C 1.433 176.021 174.600 -0.021 0.000 0.966 98 S CA 0.146 58.226 58.200 -0.200 0.000 0.940 98 S CB 0.028 63.122 63.200 -0.178 0.000 0.773 98 S HN 0.301 nan 8.310 nan 0.000 0.535 99 R N 1.702 122.199 120.500 -0.005 0.000 2.307 99 R HA 0.259 4.599 4.340 -0.000 0.000 0.199 99 R C 0.535 176.868 176.300 0.055 0.000 1.000 99 R CA 0.442 56.557 56.100 0.025 0.000 1.023 99 R CB -0.199 30.110 30.300 0.015 0.000 0.908 99 R HN 0.807 nan 8.270 nan 0.000 0.473 100 Q N -1.009 118.844 119.800 0.088 0.000 2.594 100 Q HA 0.238 4.578 4.340 -0.000 0.000 0.278 100 Q C -1.688 174.414 176.000 0.169 0.000 0.961 100 Q CA -0.853 55.015 55.803 0.109 0.000 0.844 100 Q CB 0.767 29.552 28.738 0.078 0.000 1.475 100 Q HN -0.082 nan 8.270 nan 0.000 0.389 101 N N 2.930 121.737 118.700 0.179 0.000 2.416 101 N HA 0.109 4.849 4.740 -0.000 0.000 0.265 101 N C -1.163 174.511 175.510 0.272 0.000 1.195 101 N CA 0.201 53.408 53.050 0.263 0.000 0.943 101 N CB 1.135 39.811 38.487 0.315 0.000 1.115 101 N HN 0.494 nan 8.380 nan 0.000 0.481 102 Q N 2.085 122.065 119.800 0.300 0.000 2.282 102 Q HA 0.394 4.734 4.340 -0.000 0.000 0.260 102 Q C -1.169 175.092 176.000 0.434 0.000 0.964 102 Q CA -0.516 55.442 55.803 0.258 0.000 0.880 102 Q CB 1.197 30.061 28.738 0.210 0.000 1.286 102 Q HN 0.498 nan 8.270 nan 0.000 0.445 103 Y N 1.312 121.643 120.300 0.051 0.000 2.528 103 Y HA 0.706 5.256 4.550 -0.000 0.000 0.335 103 Y C -0.248 175.695 175.900 0.071 0.000 1.093 103 Y CA -1.422 56.670 58.100 -0.013 0.000 1.134 103 Y CB 1.873 40.235 38.460 -0.163 0.000 1.253 103 Y HN 0.379 nan 8.280 nan 0.000 0.478 104 V N 2.196 122.217 119.914 0.179 0.000 3.204 104 V HA 0.718 4.838 4.120 -0.000 0.000 0.316 104 V C -1.177 175.015 176.094 0.162 0.000 1.160 104 V CA -0.749 61.656 62.300 0.176 0.000 1.044 104 V CB 2.308 34.180 31.823 0.083 0.000 1.136 104 V HN 0.531 nan 8.190 nan 0.000 0.455 105 V N 1.561 121.591 119.914 0.193 0.000 2.623 105 V HA 0.704 4.824 4.120 -0.000 0.000 0.304 105 V C -0.592 175.585 176.094 0.138 0.000 1.054 105 V CA -0.740 61.674 62.300 0.190 0.000 0.882 105 V CB 0.992 33.020 31.823 0.342 0.000 1.002 105 V HN 0.658 nan 8.190 nan 0.000 0.424 106 V N 2.707 122.674 119.914 0.088 0.000 2.743 106 V HA 0.711 4.831 4.120 -0.000 0.000 0.301 106 V C -0.128 176.024 176.094 0.098 0.000 1.057 106 V CA -0.427 61.915 62.300 0.070 0.000 1.006 106 V CB 1.366 33.205 31.823 0.027 0.000 1.024 106 V HN 1.058 nan 8.190 nan 0.000 0.473 107 Q N 1.080 120.945 119.800 0.109 0.000 2.313 107 Q HA 0.604 4.944 4.340 -0.000 0.000 0.260 107 Q C -1.979 174.073 176.000 0.086 0.000 0.972 107 Q CA -0.415 55.449 55.803 0.101 0.000 0.886 107 Q CB 2.622 31.447 28.738 0.144 0.000 1.373 107 Q HN 0.720 nan 8.270 nan 0.000 0.416 108 V N 1.431 121.363 119.914 0.031 0.000 2.540 108 V HA 0.797 4.917 4.120 -0.000 0.000 0.302 108 V C -0.176 175.885 176.094 -0.056 0.000 1.035 108 V CA -0.610 61.696 62.300 0.010 0.000 0.873 108 V CB 1.496 33.325 31.823 0.010 0.000 0.992 108 V HN 0.894 nan 8.190 nan 0.000 0.428 109 T N 0.346 114.847 114.554 -0.088 0.000 2.896 109 T HA 0.997 5.347 4.350 -0.000 0.000 0.297 109 T C -0.047 174.589 174.700 -0.107 0.000 1.108 109 T CA -0.133 61.891 62.100 -0.127 0.000 1.004 109 T CB 2.180 70.935 68.868 -0.188 0.000 1.159 109 T HN 1.673 nan 8.240 nan 0.000 0.499 110 G N 0.562 109.293 108.800 -0.115 0.000 2.368 110 G HA2 0.458 4.418 3.960 -0.000 0.000 0.269 110 G HA3 0.458 4.418 3.960 -0.000 0.000 0.269 110 G C -3.195 171.643 174.900 -0.103 0.000 1.291 110 G CA -0.950 44.094 45.100 -0.094 0.000 0.903 110 G HN 0.728 nan 8.290 nan 0.000 0.483 111 P HA 0.198 nan 4.420 nan 0.000 0.251 111 P C 0.339 177.580 177.300 -0.098 0.000 1.154 111 P CA 1.167 64.228 63.100 -0.065 0.000 0.805 111 P CB 0.266 31.943 31.700 -0.039 0.000 0.759 112 Q N -1.001 118.755 119.800 -0.073 0.000 2.284 112 Q HA -0.207 4.133 4.340 -0.000 0.000 0.205 112 Q C -0.335 175.568 176.000 -0.163 0.000 0.682 112 Q CA 0.913 56.682 55.803 -0.058 0.000 1.401 112 Q CB -1.191 27.564 28.738 0.028 0.000 1.643 112 Q HN 0.344 nan 8.270 nan 0.000 0.717 113 V N -0.267 119.485 119.914 -0.269 0.000 3.007 113 V HA 0.845 4.965 4.120 -0.000 0.000 0.311 113 V C -0.454 175.510 176.094 -0.216 0.000 1.120 113 V CA -0.726 61.342 62.300 -0.388 0.000 0.980 113 V CB 2.189 33.505 31.823 -0.846 0.000 1.033 113 V HN 0.358 nan 8.190 nan 0.000 0.429 114 R N 2.508 122.914 120.500 -0.156 0.000 2.604 114 R HA 0.836 5.176 4.340 -0.000 0.000 0.261 114 R C -2.236 174.038 176.300 -0.043 0.000 1.080 114 R CA -0.648 55.396 56.100 -0.093 0.000 0.917 114 R CB 1.217 31.472 30.300 -0.074 0.000 1.252 114 R HN 0.599 nan 8.270 nan 0.000 0.456 115 L N 0.954 122.165 121.223 -0.020 0.000 2.424 115 L HA 0.652 4.992 4.340 -0.000 0.000 0.258 115 L C -0.952 175.932 176.870 0.024 0.000 0.995 115 L CA -0.885 53.964 54.840 0.014 0.000 0.821 115 L CB 2.759 44.837 42.059 0.032 0.000 1.383 115 L HN 0.843 nan 8.230 nan 0.000 0.410 116 E N 1.988 122.209 120.200 0.035 0.000 2.291 116 E HA 0.450 4.800 4.350 -0.000 0.000 0.276 116 E C -1.683 174.947 176.600 0.049 0.000 0.896 116 E CA -0.705 55.727 56.400 0.052 0.000 0.774 116 E CB 2.538 32.274 29.700 0.060 0.000 1.227 116 E HN 0.314 nan 8.360 nan 0.000 0.413 117 K N 3.095 123.526 120.400 0.052 0.000 2.615 117 K HA 0.276 4.596 4.320 -0.000 0.000 0.249 117 K C -1.918 174.689 176.600 0.013 0.000 0.977 117 K CA -0.628 55.673 56.287 0.023 0.000 0.833 117 K CB 1.977 34.478 32.500 0.003 0.000 1.208 117 K HN 0.261 nan 8.250 nan 0.000 0.443 118 V N 6.160 126.063 119.914 -0.018 0.000 2.455 118 V HA 0.624 4.744 4.120 -0.000 0.000 0.273 118 V C -0.759 175.233 176.094 -0.171 0.000 1.045 118 V CA 0.050 62.292 62.300 -0.096 0.000 0.976 118 V CB 0.571 32.247 31.823 -0.245 0.000 0.993 118 V HN 0.519 nan 8.190 nan 0.000 0.475 119 V N 6.554 126.361 119.914 -0.178 0.000 3.102 119 V HA 0.587 4.707 4.120 -0.000 0.000 0.312 119 V C -0.475 175.410 176.094 -0.348 0.000 1.135 119 V CA -1.129 61.015 62.300 -0.260 0.000 1.022 119 V CB 1.717 33.429 31.823 -0.185 0.000 1.056 119 V HN 0.708 nan 8.190 nan 0.000 0.436 120 L N 1.799 122.762 121.223 -0.435 0.000 2.379 120 L HA 0.646 4.986 4.340 -0.000 0.000 0.269 120 L C -0.602 176.107 176.870 -0.269 0.000 1.084 120 L CA -0.384 54.186 54.840 -0.449 0.000 0.802 120 L CB 1.293 43.061 42.059 -0.485 0.000 1.175 120 L HN 0.600 nan 8.230 nan 0.000 0.448 121 L N 2.154 123.261 121.223 -0.193 0.000 2.346 121 L HA 0.486 4.826 4.340 -0.000 0.000 0.276 121 L C -0.198 176.556 176.870 -0.194 0.000 1.006 121 L CA 0.108 54.824 54.840 -0.206 0.000 0.817 121 L CB 1.807 43.719 42.059 -0.245 0.000 1.272 121 L HN 0.693 nan 8.230 nan 0.000 0.421 122 S N 2.538 118.149 115.700 -0.147 0.000 2.437 122 S HA 0.331 4.801 4.470 -0.000 0.000 0.305 122 S C 0.503 175.039 174.600 -0.107 0.000 1.109 122 S CA -0.321 57.852 58.200 -0.043 0.000 1.099 122 S CB 0.406 63.662 63.200 0.093 0.000 1.004 122 S HN 0.477 nan 8.310 nan 0.000 0.475 123 Y N 2.271 122.587 120.300 0.028 0.000 2.632 123 Y HA 0.098 4.648 4.550 -0.000 0.000 0.301 123 Y C 1.821 177.705 175.900 -0.026 0.000 1.172 123 Y CA 0.369 58.477 58.100 0.012 0.000 1.328 123 Y CB -0.032 38.449 38.460 0.035 0.000 1.016 123 Y HN 0.627 nan 8.280 nan 0.000 0.529 124 Q N 0.604 120.449 119.800 0.076 0.000 2.286 124 Q HA -0.082 4.258 4.340 -0.000 0.000 0.290 124 Q C 1.191 177.113 176.000 -0.131 0.000 1.049 124 Q CA 0.401 56.185 55.803 -0.032 0.000 0.923 124 Q CB 1.225 29.912 28.738 -0.086 0.000 1.183 124 Q HN 0.340 nan 8.270 nan 0.000 0.383 125 S N 2.248 117.825 115.700 -0.206 0.000 2.384 125 S HA 0.095 4.565 4.470 -0.000 0.000 0.217 125 S C 0.576 174.940 174.600 -0.392 0.000 1.041 125 S CA 0.814 58.822 58.200 -0.319 0.000 0.948 125 S CB 0.324 63.228 63.200 -0.492 0.000 0.872 125 S HN 0.700 nan 8.310 nan 0.000 0.512 126 S N -1.800 113.654 115.700 -0.411 0.000 3.047 126 S HA 0.582 5.052 4.470 -0.000 0.000 0.308 126 S C -2.464 172.052 174.600 -0.140 0.000 1.245 126 S CA -0.552 57.449 58.200 -0.333 0.000 1.109 126 S CB 0.010 63.170 63.200 -0.066 0.000 1.417 126 S HN 0.176 nan 8.310 nan 0.000 0.555 127 F N 2.283 122.266 119.950 0.054 0.000 2.612 127 F HA 0.587 5.114 4.527 -0.000 0.000 0.332 127 F C -0.380 175.218 175.800 -0.336 0.000 1.167 127 F CA -0.897 56.991 58.000 -0.186 0.000 0.970 127 F CB 1.159 40.005 39.000 -0.255 0.000 1.234 127 F HN 0.388 nan 8.300 nan 0.000 0.453 128 L N 3.236 124.346 121.223 -0.188 0.000 2.358 128 L HA 0.621 4.961 4.340 -0.000 0.000 0.268 128 L C -1.265 175.254 176.870 -0.586 0.000 1.032 128 L CA -0.849 53.850 54.840 -0.235 0.000 0.805 128 L CB 1.757 43.831 42.059 0.025 0.000 1.253 128 L HN 0.270 nan 8.230 nan 0.000 0.452 129 F N 1.347 121.296 119.950 -0.003 0.000 2.670 129 F HA 0.425 4.952 4.527 -0.000 0.000 0.332 129 F C -0.441 175.491 175.800 0.220 0.000 1.179 129 F CA -0.870 57.144 58.000 0.024 0.000 1.076 129 F CB 1.282 40.290 39.000 0.013 0.000 1.322 129 F HN 0.123 nan 8.300 nan 0.000 0.515 130 I N 3.587 124.440 120.570 0.472 0.000 2.362 130 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 130 I C -0.435 175.800 176.117 0.196 0.000 0.994 130 I CA -0.636 60.789 61.300 0.209 0.000 1.158 130 I CB 1.830 39.854 38.000 0.041 0.000 1.315 130 I HN 0.508 nan 8.210 nan 0.000 0.451 131 Q N 6.019 125.939 119.800 0.200 0.000 2.337 131 Q HA 0.548 4.888 4.340 -0.000 0.000 0.266 131 Q C -1.219 174.970 176.000 0.316 0.000 1.023 131 Q CA -0.537 55.419 55.803 0.253 0.000 0.829 131 Q CB 2.447 31.360 28.738 0.292 0.000 1.306 131 Q HN 0.794 nan 8.270 nan 0.000 0.449 132 T N -0.155 114.606 114.554 0.345 0.000 2.912 132 T HA 0.187 4.537 4.350 -0.000 0.000 0.288 132 T C 1.027 175.991 174.700 0.441 0.000 1.030 132 T CA -0.371 61.966 62.100 0.396 0.000 1.020 132 T CB 1.246 70.353 68.868 0.399 0.000 1.056 132 T HN 0.716 nan 8.240 nan 0.000 0.480 133 D N 1.548 122.203 120.400 0.424 0.000 2.172 133 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 133 D C 0.590 177.058 176.300 0.280 0.000 0.999 133 D CA 1.416 55.711 54.000 0.493 0.000 0.856 133 D CB 0.107 41.046 40.800 0.231 0.000 0.934 133 D HN 0.858 nan 8.370 nan 0.000 0.453 134 K N -3.082 117.444 120.400 0.209 0.000 2.556 134 K HA 0.513 4.833 4.320 -0.000 0.000 0.289 134 K C 0.641 177.285 176.600 0.074 0.000 1.040 134 K CA -0.463 55.857 56.287 0.056 0.000 0.894 134 K CB 0.879 33.291 32.500 -0.147 0.000 1.547 134 K HN -0.170 nan 8.250 nan 0.000 0.417 135 G N -0.058 108.767 108.800 0.042 0.000 3.042 135 G HA2 0.255 4.215 3.960 -0.000 0.000 0.212 135 G HA3 0.255 4.215 3.960 -0.000 0.000 0.212 135 G C -0.372 174.618 174.900 0.150 0.000 1.166 135 G CA 0.455 45.667 45.100 0.186 0.000 0.767 135 G HN 0.399 nan 8.290 nan 0.000 0.546 136 I N -1.162 119.285 120.570 -0.205 0.000 2.775 136 I HA 0.641 4.811 4.170 -0.000 0.000 0.295 136 I C -2.207 173.583 176.117 -0.546 0.000 1.287 136 I CA -1.745 59.471 61.300 -0.140 0.000 1.029 136 I CB 1.879 39.846 38.000 -0.056 0.000 1.282 136 I HN -0.010 nan 8.210 nan 0.000 0.426 137 Y N 3.831 124.091 120.300 -0.067 0.000 2.421 137 Y HA 0.484 5.034 4.550 -0.000 0.000 0.339 137 Y C 0.072 175.890 175.900 -0.136 0.000 0.996 137 Y CA -0.887 57.116 58.100 -0.161 0.000 1.046 137 Y CB 2.271 40.526 38.460 -0.342 0.000 1.226 137 Y HN 0.434 nan 8.280 nan 0.000 0.445 138 T N 5.848 120.393 114.554 -0.015 0.000 2.817 138 T HA 0.120 4.470 4.350 -0.000 0.000 0.295 138 T C -2.462 172.214 174.700 -0.040 0.000 0.958 138 T CA -0.996 61.054 62.100 -0.084 0.000 1.157 138 T CB 0.126 68.944 68.868 -0.083 0.000 0.898 138 T HN 0.206 nan 8.240 nan 0.000 0.536 139 P HA 0.101 nan 4.420 nan 0.000 0.266 139 P C 1.011 178.299 177.300 -0.020 0.000 1.186 139 P CA 0.901 63.999 63.100 -0.003 0.000 0.767 139 P CB 0.171 31.922 31.700 0.083 0.000 0.820 140 G N 0.884 109.633 108.800 -0.086 0.000 2.160 140 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.251 140 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.251 140 G C 0.345 175.182 174.900 -0.106 0.000 1.008 140 G CA 0.066 45.108 45.100 -0.096 0.000 0.724 140 G HN 0.571 nan 8.290 nan 0.000 0.514 141 S N 0.537 116.156 115.700 -0.135 0.000 2.730 141 S HA 0.797 5.267 4.470 -0.000 0.000 0.284 141 S C -2.547 171.913 174.600 -0.233 0.000 1.153 141 S CA -0.953 57.175 58.200 -0.120 0.000 0.995 141 S CB 2.173 65.369 63.200 -0.006 0.000 1.058 141 S HN 0.279 nan 8.310 nan 0.000 0.552 142 P HA 0.390 nan 4.420 nan 0.000 0.304 142 P C -1.377 175.706 177.300 -0.362 0.000 1.406 142 P CA -0.563 62.358 63.100 -0.300 0.000 0.948 142 P CB 1.036 32.605 31.700 -0.220 0.000 0.972 143 V N 5.626 125.199 119.914 -0.568 0.000 2.405 143 V HA 0.127 4.247 4.120 -0.000 0.000 0.264 143 V C 0.711 176.551 176.094 -0.424 0.000 1.048 143 V CA -0.132 61.725 62.300 -0.739 0.000 0.966 143 V CB 0.045 31.271 31.823 -0.995 0.000 1.015 143 V HN 0.365 nan 8.190 nan 0.000 0.477 144 L N 5.720 126.647 121.223 -0.494 0.000 2.309 144 L HA 0.840 5.180 4.340 -0.000 0.000 0.282 144 L C -0.693 175.744 176.870 -0.723 0.000 1.036 144 L CA -0.738 53.625 54.840 -0.794 0.000 0.806 144 L CB 1.217 42.598 42.059 -1.130 0.000 1.220 144 L HN 0.610 nan 8.230 nan 0.000 0.429 145 Y N 0.461 120.493 120.300 -0.447 0.000 2.570 145 Y HA 0.816 5.366 4.550 -0.000 0.000 0.345 145 Y C -0.767 174.942 175.900 -0.319 0.000 1.014 145 Y CA -1.656 56.313 58.100 -0.218 0.000 1.063 145 Y CB 1.395 39.725 38.460 -0.215 0.000 1.272 145 Y HN 0.603 nan 8.280 nan 0.000 0.477 146 R N 1.116 121.708 120.500 0.154 0.000 2.803 146 R HA 0.819 5.159 4.340 -0.000 0.000 0.276 146 R C -1.860 174.262 176.300 -0.296 0.000 0.978 146 R CA -1.388 54.572 56.100 -0.233 0.000 0.939 146 R CB 2.784 33.089 30.300 0.009 0.000 1.179 146 R HN 0.662 nan 8.270 nan 0.000 0.472 147 V N 3.833 123.626 119.914 -0.201 0.000 2.577 147 V HA 0.490 4.610 4.120 -0.000 0.000 0.303 147 V C -1.338 174.639 176.094 -0.194 0.000 1.042 147 V CA -0.529 61.693 62.300 -0.129 0.000 0.872 147 V CB 1.438 33.247 31.823 -0.023 0.000 0.998 147 V HN 0.523 nan 8.190 nan 0.000 0.423 148 F N 3.117 123.188 119.950 0.202 0.000 2.509 148 F HA 0.831 5.358 4.527 -0.000 0.000 0.334 148 F C 0.514 176.379 175.800 0.109 0.000 1.060 148 F CA -0.495 57.604 58.000 0.165 0.000 0.997 148 F CB 2.190 41.329 39.000 0.231 0.000 1.271 148 F HN 0.486 nan 8.300 nan 0.000 0.488 149 S N 1.292 117.202 115.700 0.351 0.000 2.546 149 S HA 0.459 4.929 4.470 -0.000 0.000 0.272 149 S C -1.010 173.749 174.600 0.264 0.000 1.140 149 S CA -1.047 57.273 58.200 0.199 0.000 0.920 149 S CB 1.270 64.596 63.200 0.210 0.000 1.083 149 S HN 0.470 nan 8.310 nan 0.000 0.476 150 M N 3.266 122.937 119.600 0.119 0.000 2.869 150 M HA 0.147 4.627 4.480 -0.000 0.000 0.299 150 M C 0.101 176.363 176.300 -0.064 0.000 1.508 150 M CA 0.065 55.392 55.300 0.046 0.000 1.551 150 M CB -1.445 31.158 32.600 0.004 0.000 1.384 150 M HN 0.852 nan 8.290 nan 0.000 0.491 151 D N 3.040 123.529 120.400 0.148 0.000 2.648 151 D HA -0.079 4.561 4.640 -0.000 0.000 0.229 151 D C -0.312 175.921 176.300 -0.112 0.000 1.119 151 D CA 1.198 55.286 54.000 0.146 0.000 0.850 151 D CB 0.468 41.507 40.800 0.399 0.000 1.169 151 D HN 0.369 nan 8.370 nan 0.000 0.489 152 H N 2.121 121.236 119.070 0.074 0.000 2.569 152 H HA 0.211 4.767 4.556 -0.000 0.000 0.357 152 H C -0.093 175.242 175.328 0.011 0.000 1.153 152 H CA -0.883 55.174 56.048 0.015 0.000 1.193 152 H CB 1.356 31.093 29.762 -0.042 0.000 1.602 152 H HN 0.492 nan 8.280 nan 0.000 0.523 153 N N 1.721 120.510 118.700 0.148 0.000 2.406 153 N HA -0.032 4.708 4.740 -0.000 0.000 0.274 153 N C -0.007 175.539 175.510 0.059 0.000 1.249 153 N CA -0.214 52.884 53.050 0.080 0.000 0.951 153 N CB 0.141 38.661 38.487 0.055 0.000 1.241 153 N HN 0.517 nan 8.380 nan 0.000 0.485 154 T N -1.709 112.876 114.554 0.052 0.000 2.889 154 T HA 0.387 4.737 4.350 -0.000 0.000 0.278 154 T C 0.497 175.218 174.700 0.036 0.000 0.995 154 T CA -0.887 61.234 62.100 0.035 0.000 0.966 154 T CB 1.276 70.162 68.868 0.030 0.000 1.237 154 T HN 0.351 nan 8.240 nan 0.000 0.591 155 S N -0.520 115.199 115.700 0.032 0.000 2.819 155 S HA 0.308 4.778 4.470 -0.000 0.000 0.249 155 S C -0.719 173.896 174.600 0.025 0.000 1.030 155 S CA -0.575 57.646 58.200 0.034 0.000 1.052 155 S CB -0.462 62.766 63.200 0.046 0.000 1.017 155 S HN 0.536 nan 8.310 nan 0.000 0.576 156 K N 1.178 121.592 120.400 0.023 0.000 2.561 156 K HA 0.341 4.661 4.320 -0.000 0.000 0.254 156 K C -1.413 175.202 176.600 0.026 0.000 0.942 156 K CA -0.302 55.997 56.287 0.020 0.000 0.818 156 K CB 1.542 34.050 32.500 0.014 0.000 1.306 156 K HN 0.150 nan 8.250 nan 0.000 0.435 157 M N 2.770 122.387 119.600 0.027 0.000 2.488 157 M HA 0.234 4.714 4.480 -0.000 0.000 0.204 157 M C -1.004 175.317 176.300 0.035 0.000 0.969 157 M CA -0.364 54.958 55.300 0.036 0.000 0.720 157 M CB -0.174 32.448 32.600 0.037 0.000 1.427 157 M HN 0.445 nan 8.290 nan 0.000 0.427 158 N N 1.728 120.452 118.700 0.041 0.000 2.500 158 N HA 0.170 4.910 4.740 -0.000 0.000 0.236 158 N C -0.492 175.062 175.510 0.073 0.000 1.022 158 N CA -0.239 52.838 53.050 0.045 0.000 0.935 158 N CB 1.151 39.661 38.487 0.037 0.000 1.147 158 N HN 0.204 nan 8.380 nan 0.000 0.512 159 K N 2.120 122.557 120.400 0.062 0.000 2.262 159 K HA 0.121 4.441 4.320 -0.000 0.000 0.288 159 K C -0.343 176.293 176.600 0.060 0.000 1.090 159 K CA -0.065 56.268 56.287 0.076 0.000 0.918 159 K CB 0.127 32.645 32.500 0.030 0.000 1.139 159 K HN 0.481 nan 8.250 nan 0.000 0.462 160 T N -0.959 113.654 114.554 0.099 0.000 2.937 160 T HA 0.484 4.834 4.350 -0.000 0.000 0.297 160 T C -0.371 174.343 174.700 0.024 0.000 0.991 160 T CA -0.854 61.290 62.100 0.073 0.000 0.990 160 T CB 1.155 70.089 68.868 0.110 0.000 0.991 160 T HN 0.065 nan 8.240 nan 0.000 0.440 161 V N 3.879 123.770 119.914 -0.037 0.000 2.769 161 V HA 0.610 4.730 4.120 -0.000 0.000 0.312 161 V C -0.130 175.956 176.094 -0.013 0.000 1.061 161 V CA -1.187 61.041 62.300 -0.119 0.000 0.931 161 V CB 2.090 33.801 31.823 -0.187 0.000 1.010 161 V HN 1.037 nan 8.190 nan 0.000 0.433 162 I N 3.321 123.878 120.570 -0.022 0.000 2.359 162 I HA 0.610 4.780 4.170 -0.000 0.000 0.294 162 I C -0.996 175.112 176.117 -0.015 0.000 0.987 162 I CA -0.436 60.874 61.300 0.017 0.000 1.225 162 I CB 1.538 39.547 38.000 0.016 0.000 1.366 162 I HN 0.465 nan 8.210 nan 0.000 0.466 163 V N 6.739 126.666 119.914 0.022 0.000 2.680 163 V HA 0.542 4.662 4.120 -0.000 0.000 0.309 163 V C -0.408 175.699 176.094 0.022 0.000 1.052 163 V CA -0.733 61.541 62.300 -0.044 0.000 0.908 163 V CB 1.839 33.617 31.823 -0.075 0.000 1.001 163 V HN 0.689 nan 8.190 nan 0.000 0.431 164 E N 1.989 122.144 120.200 -0.076 0.000 2.343 164 E HA 0.615 4.965 4.350 -0.000 0.000 0.270 164 E C -1.975 174.556 176.600 -0.114 0.000 0.895 164 E CA -0.640 55.759 56.400 -0.003 0.000 0.767 164 E CB 2.989 32.670 29.700 -0.031 0.000 1.248 164 E HN 0.545 nan 8.360 nan 0.000 0.440 165 F N 1.691 121.595 119.950 -0.076 0.000 2.496 165 F HA 0.271 4.798 4.527 -0.000 0.000 0.341 165 F C -0.272 175.479 175.800 -0.081 0.000 1.134 165 F CA -0.484 57.478 58.000 -0.063 0.000 0.968 165 F CB 1.704 40.608 39.000 -0.160 0.000 1.205 165 F HN 0.168 nan 8.300 nan 0.000 0.436 166 Q N 1.594 121.396 119.800 0.003 0.000 2.337 166 Q HA 0.398 4.738 4.340 -0.000 0.000 0.266 166 Q C -0.019 175.735 176.000 -0.409 0.000 1.023 166 Q CA -1.038 54.672 55.803 -0.154 0.000 0.829 166 Q CB 2.349 30.994 28.738 -0.155 0.000 1.306 166 Q HN 0.623 nan 8.270 nan 0.000 0.449 167 T N 0.559 114.668 114.554 -0.742 0.000 2.900 167 T HA 0.115 4.465 4.350 -0.000 0.000 0.307 167 T C -1.738 172.540 174.700 -0.704 0.000 1.065 167 T CA -1.328 59.988 62.100 -1.307 0.000 1.105 167 T CB 0.442 68.759 68.868 -0.917 0.000 0.979 167 T HN 0.274 nan 8.240 nan 0.000 0.544 168 P HA -0.068 nan 4.420 nan 0.000 0.216 168 P C 1.290 178.459 177.300 -0.219 0.000 1.150 168 P CA 1.255 64.171 63.100 -0.307 0.000 0.837 168 P CB 0.047 31.651 31.700 -0.160 0.000 0.786 169 E N -1.538 118.538 120.200 -0.205 0.000 2.097 169 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 169 E C 1.609 178.129 176.600 -0.134 0.000 1.000 169 E CA 1.478 57.798 56.400 -0.133 0.000 0.804 169 E CB -0.502 29.134 29.700 -0.108 0.000 0.740 169 E HN 0.346 nan 8.360 nan 0.000 0.454 170 G N -0.026 108.670 108.800 -0.174 0.000 2.935 170 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.213 170 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.213 170 G C 0.204 175.021 174.900 -0.138 0.000 0.984 170 G CA -0.250 44.764 45.100 -0.142 0.000 0.790 170 G HN 0.087 nan 8.290 nan 0.000 0.538 171 I N 1.914 122.392 120.570 -0.154 0.000 2.638 171 I HA 0.512 4.682 4.170 -0.000 0.000 0.286 171 I C 0.508 176.556 176.117 -0.114 0.000 1.088 171 I CA -0.873 60.358 61.300 -0.115 0.000 1.397 171 I CB 1.044 38.987 38.000 -0.094 0.000 1.414 171 I HN 0.060 nan 8.210 nan 0.000 0.566 172 L N 6.699 127.887 121.223 -0.060 0.000 2.305 172 L HA 0.312 4.652 4.340 -0.000 0.000 0.281 172 L C 0.208 177.082 176.870 0.007 0.000 1.085 172 L CA 0.371 55.195 54.840 -0.028 0.000 0.813 172 L CB 1.284 43.335 42.059 -0.013 0.000 1.157 172 L HN 0.527 nan 8.230 nan 0.000 0.436 173 V N 2.691 122.624 119.914 0.031 0.000 3.382 173 V HA 0.412 4.532 4.120 -0.000 0.000 0.296 173 V C 0.192 176.302 176.094 0.027 0.000 1.529 173 V CA 0.395 62.734 62.300 0.066 0.000 1.048 173 V CB -0.038 31.866 31.823 0.135 0.000 0.878 173 V HN 0.827 nan 8.190 nan 0.000 0.442 174 S N 0.105 115.828 115.700 0.037 0.000 2.604 174 S HA 0.549 5.019 4.470 -0.000 0.000 0.296 174 S C -1.252 173.436 174.600 0.147 0.000 1.097 174 S CA 0.289 58.524 58.200 0.058 0.000 0.883 174 S CB 1.775 64.918 63.200 -0.095 0.000 1.081 174 S HN 0.641 nan 8.310 nan 0.000 0.448 175 S N 3.398 119.185 115.700 0.146 0.000 2.649 175 S HA 0.765 5.235 4.470 -0.000 0.000 0.274 175 S C -1.330 173.366 174.600 0.160 0.000 1.176 175 S CA -0.593 57.691 58.200 0.140 0.000 0.988 175 S CB 0.324 63.570 63.200 0.075 0.000 1.071 175 S HN 0.858 nan 8.310 nan 0.000 0.478 176 N N 1.141 119.969 118.700 0.212 0.000 2.825 176 N HA 0.583 5.323 4.740 -0.000 0.000 0.253 176 N C -1.780 173.878 175.510 0.247 0.000 1.426 176 N CA -1.245 51.959 53.050 0.256 0.000 0.851 176 N CB 1.630 40.369 38.487 0.421 0.000 1.470 176 N HN 0.523 nan 8.380 nan 0.000 0.517 177 S N -0.346 115.501 115.700 0.244 0.000 2.448 177 S HA 0.615 5.085 4.470 -0.000 0.000 0.320 177 S C -0.353 174.379 174.600 0.220 0.000 1.071 177 S CA -0.825 57.486 58.200 0.186 0.000 1.113 177 S CB 0.394 63.676 63.200 0.137 0.000 0.972 177 S HN 0.651 nan 8.310 nan 0.000 0.465 178 V N 0.270 120.280 119.914 0.160 0.000 2.540 178 V HA 0.596 4.716 4.120 -0.000 0.000 0.302 178 V C -0.225 175.871 176.094 0.003 0.000 1.035 178 V CA -0.942 61.430 62.300 0.119 0.000 0.873 178 V CB 1.632 33.525 31.823 0.116 0.000 0.992 178 V HN 0.918 nan 8.190 nan 0.000 0.428 179 D N 4.569 124.952 120.400 -0.029 0.000 2.362 179 D HA 0.132 4.772 4.640 -0.000 0.000 0.242 179 D C 0.551 176.702 176.300 -0.247 0.000 1.132 179 D CA -0.374 53.566 54.000 -0.100 0.000 0.907 179 D CB 1.926 42.676 40.800 -0.084 0.000 1.195 179 D HN 0.659 nan 8.370 nan 0.000 0.429 180 L N 1.782 122.847 121.223 -0.263 0.000 2.660 180 L HA 0.007 4.347 4.340 -0.000 0.000 0.238 180 L C 1.866 178.477 176.870 -0.432 0.000 1.161 180 L CA -0.316 54.284 54.840 -0.400 0.000 0.937 180 L CB -1.032 40.872 42.059 -0.258 0.000 1.122 180 L HN 0.384 nan 8.230 nan 0.000 0.435 181 N N 0.597 119.087 118.700 -0.349 0.000 2.085 181 N HA -0.027 4.713 4.740 -0.000 0.000 0.191 181 N C 0.263 175.743 175.510 -0.051 0.000 1.058 181 N CA 1.242 54.142 53.050 -0.249 0.000 0.849 181 N CB 0.231 38.519 38.487 -0.331 0.000 1.038 181 N HN -0.025 nan 8.380 nan 0.000 0.434 182 F N -0.594 119.141 119.950 -0.358 0.000 2.598 182 F HA 0.522 5.049 4.527 -0.000 0.000 0.327 182 F C -0.350 175.213 175.800 -0.395 0.000 1.057 182 F CA -1.473 56.379 58.000 -0.248 0.000 0.957 182 F CB 0.938 39.943 39.000 0.008 0.000 1.278 182 F HN -0.017 nan 8.300 nan 0.000 0.484 183 F N -1.273 118.722 119.950 0.075 0.000 2.719 183 F HA 0.514 5.041 4.527 -0.000 0.000 0.309 183 F C -1.245 174.363 175.800 -0.320 0.000 1.138 183 F CA -1.961 55.860 58.000 -0.300 0.000 0.943 183 F CB 1.172 39.794 39.000 -0.629 0.000 1.304 183 F HN 0.564 nan 8.300 nan 0.000 0.445 184 W N 0.427 121.792 121.300 0.108 0.000 2.181 184 W HA 0.889 5.549 4.660 -0.000 0.000 0.415 184 W C -3.023 173.269 176.519 -0.379 0.000 1.689 184 W CA -2.036 55.246 57.345 -0.104 0.000 1.859 184 W CB -0.799 28.640 29.460 -0.035 0.000 1.425 184 W HN 0.164 nan 8.180 nan 0.000 0.713 185 P HA 0.192 nan 4.420 nan 0.000 0.285 185 P C -1.796 175.544 177.300 0.067 0.000 1.280 185 P CA -0.629 62.321 63.100 -0.252 0.000 0.862 185 P CB 1.013 32.538 31.700 -0.291 0.000 1.153 186 Y N 1.088 121.260 120.300 -0.213 0.000 2.308 186 Y HA 0.357 4.907 4.550 -0.000 0.000 0.329 186 Y C -0.254 175.465 175.900 -0.301 0.000 1.111 186 Y CA -0.631 57.271 58.100 -0.332 0.000 1.179 186 Y CB 0.569 38.470 38.460 -0.932 0.000 1.201 186 Y HN 0.298 nan 8.280 nan 0.000 0.483 187 N N 6.437 124.602 118.700 -0.891 0.000 2.589 187 N HA 0.306 5.046 4.740 -0.000 0.000 0.232 187 N C -1.347 173.597 175.510 -0.943 0.000 1.015 187 N CA -0.424 52.191 53.050 -0.725 0.000 0.931 187 N CB 0.475 38.722 38.487 -0.399 0.000 1.150 187 N HN 0.531 nan 8.380 nan 0.000 0.512 188 L N 3.896 124.639 121.223 -0.801 0.000 2.534 188 L HA 0.183 4.523 4.340 -0.000 0.000 0.271 188 L C -1.938 174.727 176.870 -0.342 0.000 1.178 188 L CA -1.493 52.997 54.840 -0.583 0.000 0.907 188 L CB -0.189 41.565 42.059 -0.509 0.000 1.164 188 L HN 0.234 nan 8.230 nan 0.000 0.482 189 P HA -0.051 nan 4.420 nan 0.000 0.268 189 P C 0.272 177.485 177.300 -0.146 0.000 1.208 189 P CA -0.194 62.810 63.100 -0.161 0.000 0.777 189 P CB 0.549 32.184 31.700 -0.109 0.000 0.875 190 D N 0.816 121.148 120.400 -0.113 0.000 2.411 190 D HA -0.071 4.569 4.640 -0.000 0.000 0.226 190 D C 0.140 176.382 176.300 -0.097 0.000 0.988 190 D CA 1.145 55.096 54.000 -0.081 0.000 0.938 190 D CB 0.127 40.890 40.800 -0.061 0.000 0.883 190 D HN 0.187 nan 8.370 nan 0.000 0.525 191 L N 0.530 121.649 121.223 -0.174 0.000 2.628 191 L HA 0.286 4.626 4.340 -0.000 0.000 0.258 191 L C -1.573 174.910 176.870 -0.645 0.000 1.027 191 L CA -0.242 54.419 54.840 -0.298 0.000 0.910 191 L CB 1.363 43.294 42.059 -0.212 0.000 1.157 191 L HN -0.321 nan 8.230 nan 0.000 0.452 192 V N 1.672 121.229 119.914 -0.594 0.000 3.230 192 V HA 0.511 4.631 4.120 -0.000 0.000 0.302 192 V C -0.267 175.819 176.094 -0.014 0.000 1.421 192 V CA -0.320 61.609 62.300 -0.617 0.000 1.065 192 V CB 2.764 34.579 31.823 -0.014 0.000 1.097 192 V HN 0.720 nan 8.190 nan 0.000 0.460 193 S N 3.585 119.571 115.700 0.478 0.000 2.552 193 S HA 0.349 4.819 4.470 -0.000 0.000 0.289 193 S C -0.478 174.427 174.600 0.508 0.000 1.304 193 S CA -0.190 58.319 58.200 0.514 0.000 1.063 193 S CB 0.119 63.547 63.200 0.379 0.000 0.848 193 S HN 0.489 nan 8.310 nan 0.000 0.499 194 L N 2.889 124.319 121.223 0.344 0.000 2.309 194 L HA 0.760 5.100 4.340 -0.000 0.000 0.282 194 L C 0.973 178.007 176.870 0.274 0.000 1.036 194 L CA 0.650 55.670 54.840 0.300 0.000 0.806 194 L CB 0.470 42.639 42.059 0.184 0.000 1.220 194 L HN 1.037 nan 8.230 nan 0.000 0.429 195 G N 2.712 111.706 108.800 0.322 0.000 2.366 195 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.190 195 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.190 195 G C -1.039 174.058 174.900 0.328 0.000 1.299 195 G CA -0.476 44.770 45.100 0.245 0.000 1.056 195 G HN 0.360 nan 8.290 nan 0.000 0.468 196 T N 1.205 115.880 114.554 0.201 0.000 2.963 196 T HA 0.511 4.861 4.350 -0.000 0.000 0.343 196 T C -0.616 174.115 174.700 0.051 0.000 1.146 196 T CA -0.224 61.976 62.100 0.167 0.000 1.016 196 T CB 0.589 69.452 68.868 -0.008 0.000 1.046 196 T HN 0.445 nan 8.240 nan 0.000 0.496 197 W N 2.996 124.174 121.300 -0.203 0.000 2.112 197 W HA 0.436 5.096 4.660 -0.000 0.000 0.349 197 W C 0.757 176.917 176.519 -0.598 0.000 1.289 197 W CA -0.981 56.106 57.345 -0.431 0.000 1.256 197 W CB 0.375 29.459 29.460 -0.627 0.000 1.148 197 W HN 0.476 nan 8.180 nan 0.000 0.590 198 R N 1.968 122.326 120.500 -0.238 0.000 2.513 198 R HA 0.651 4.991 4.340 -0.000 0.000 0.301 198 R C -1.168 174.941 176.300 -0.319 0.000 0.968 198 R CA -0.833 55.171 56.100 -0.160 0.000 0.872 198 R CB 1.420 31.738 30.300 0.031 0.000 1.177 198 R HN 0.382 nan 8.270 nan 0.000 0.444 199 I N 3.890 124.194 120.570 -0.444 0.000 2.307 199 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 199 I C -0.293 175.547 176.117 -0.463 0.000 1.021 199 I CA -1.043 59.885 61.300 -0.621 0.000 1.224 199 I CB 1.794 39.341 38.000 -0.753 0.000 1.376 199 I HN 0.484 nan 8.210 nan 0.000 0.470 200 V N 4.031 123.721 119.914 -0.375 0.000 2.444 200 V HA 0.889 5.009 4.120 -0.000 0.000 0.294 200 V C -0.087 175.882 176.094 -0.208 0.000 1.022 200 V CA -0.467 61.666 62.300 -0.278 0.000 0.850 200 V CB 1.267 32.972 31.823 -0.198 0.000 0.992 200 V HN 0.682 nan 8.190 nan 0.000 0.426 201 A N 4.993 127.717 122.820 -0.159 0.000 2.325 201 A HA 0.973 5.293 4.320 -0.000 0.000 0.333 201 A C -0.252 177.320 177.584 -0.020 0.000 1.155 201 A CA -0.610 51.367 52.037 -0.100 0.000 0.814 201 A CB 1.731 20.669 19.000 -0.104 0.000 1.206 201 A HN 1.278 nan 8.150 nan 0.000 0.482 202 K N 0.464 120.842 120.400 -0.036 0.000 2.533 202 K HA 0.558 4.878 4.320 -0.000 0.000 0.284 202 K C -2.081 174.508 176.600 -0.018 0.000 1.025 202 K CA -0.675 55.630 56.287 0.029 0.000 0.900 202 K CB 1.012 33.544 32.500 0.053 0.000 1.519 202 K HN 0.530 nan 8.250 nan 0.000 0.432 203 Y N 1.944 122.283 120.300 0.066 0.000 2.330 203 Y HA 0.131 4.681 4.550 -0.000 0.000 0.336 203 Y C -0.082 175.879 175.900 0.103 0.000 1.036 203 Y CA -0.166 57.983 58.100 0.081 0.000 1.125 203 Y CB 1.593 40.100 38.460 0.079 0.000 1.194 203 Y HN 0.611 nan 8.280 nan 0.000 0.469 204 E N 3.151 123.524 120.200 0.287 0.000 2.905 204 E HA -0.157 4.193 4.350 -0.000 0.000 0.240 204 E C -0.960 175.922 176.600 0.470 0.000 0.990 204 E CA 0.351 56.957 56.400 0.344 0.000 0.954 204 E CB -0.575 29.370 29.700 0.408 0.000 0.908 204 E HN 0.832 nan 8.360 nan 0.000 0.532 205 H N 0.541 119.678 119.070 0.112 0.000 2.933 205 H HA -0.156 4.400 4.556 -0.000 0.000 0.301 205 H C -1.166 174.203 175.328 0.068 0.000 1.280 205 H CA 1.174 57.272 56.048 0.083 0.000 1.155 205 H CB -2.105 27.715 29.762 0.097 0.000 1.379 205 H HN 0.725 nan 8.280 nan 0.000 0.419 206 S N -2.202 113.593 115.700 0.158 0.000 2.382 206 S HA 0.417 4.887 4.470 -0.000 0.000 0.228 206 S C -2.852 171.813 174.600 0.109 0.000 0.996 206 S CA -1.428 56.840 58.200 0.114 0.000 1.094 206 S CB 1.962 65.231 63.200 0.115 0.000 1.209 206 S HN -0.053 nan 8.310 nan 0.000 0.420 207 P HA -0.035 nan 4.420 nan 0.000 0.156 207 P C 0.685 178.045 177.300 0.100 0.000 1.187 207 P CA 0.644 63.786 63.100 0.070 0.000 1.008 207 P CB -0.123 31.604 31.700 0.045 0.000 1.610 208 E N 1.418 121.699 120.200 0.135 0.000 2.140 208 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 208 E C 0.445 177.144 176.600 0.164 0.000 0.973 208 E CA 0.273 56.773 56.400 0.166 0.000 0.829 208 E CB -0.031 29.800 29.700 0.219 0.000 0.781 208 E HN 0.082 nan 8.360 nan 0.000 0.466 209 N N 0.009 118.791 118.700 0.136 0.000 2.746 209 N HA -0.245 4.495 4.740 -0.000 0.000 0.250 209 N C -1.231 174.346 175.510 0.112 0.000 1.055 209 N CA 0.415 53.517 53.050 0.088 0.000 0.699 209 N CB -1.976 36.546 38.487 0.059 0.000 0.919 209 N HN 0.250 nan 8.380 nan 0.000 0.548 210 Y N 0.277 120.582 120.300 0.008 0.000 2.314 210 Y HA 0.543 5.093 4.550 -0.000 0.000 0.334 210 Y C 1.064 176.914 175.900 -0.083 0.000 1.266 210 Y CA 0.452 58.543 58.100 -0.014 0.000 1.391 210 Y CB 1.042 39.516 38.460 0.023 0.000 1.306 210 Y HN 0.193 nan 8.280 nan 0.000 0.558 211 T N 2.368 116.127 114.554 -1.324 0.000 2.864 211 T HA 0.847 5.197 4.350 -0.000 0.000 0.299 211 T C -1.914 172.138 174.700 -1.080 0.000 1.166 211 T CA -0.152 61.370 62.100 -0.963 0.000 1.007 211 T CB 0.929 69.357 68.868 -0.734 0.000 1.219 211 T HN 0.952 nan 8.240 nan 0.000 0.506 212 A N 1.824 124.204 122.820 -0.733 0.000 2.566 212 A HA 0.722 5.041 4.320 -0.000 0.000 0.297 212 A C -2.289 175.042 177.584 -0.422 0.000 1.059 212 A CA -0.561 51.166 52.037 -0.517 0.000 0.691 212 A CB 1.178 20.032 19.000 -0.244 0.000 1.282 212 A HN 0.629 nan 8.150 nan 0.000 0.401 213 Y N 0.549 120.614 120.300 -0.392 0.000 2.429 213 Y HA 0.752 5.302 4.550 -0.000 0.000 0.342 213 Y C -0.500 175.219 175.900 -0.302 0.000 1.004 213 Y CA -1.730 56.013 58.100 -0.595 0.000 1.075 213 Y CB 1.916 39.699 38.460 -1.128 0.000 1.214 213 Y HN 0.703 nan 8.280 nan 0.000 0.455 214 F N 0.382 120.425 119.950 0.157 0.000 2.573 214 F HA 0.560 5.087 4.527 -0.000 0.000 0.316 214 F C -0.916 175.125 175.800 0.401 0.000 1.148 214 F CA -1.802 56.422 58.000 0.374 0.000 0.940 214 F CB 0.944 40.191 39.000 0.413 0.000 1.214 214 F HN 0.256 nan 8.300 nan 0.000 0.448 215 D N 2.455 123.315 120.400 0.766 0.000 2.382 215 D HA 0.419 5.059 4.640 -0.000 0.000 0.245 215 D C -0.816 175.797 176.300 0.522 0.000 1.120 215 D CA 0.240 54.565 54.000 0.542 0.000 0.890 215 D CB 2.372 43.389 40.800 0.361 0.000 1.201 215 D HN 0.508 nan 8.370 nan 0.000 0.433 216 V N 3.488 123.649 119.914 0.412 0.000 2.577 216 V HA 0.419 4.539 4.120 -0.000 0.000 0.294 216 V C -0.481 175.740 176.094 0.211 0.000 1.052 216 V CA -0.455 62.009 62.300 0.274 0.000 0.891 216 V CB 1.766 33.693 31.823 0.174 0.000 1.017 216 V HN 0.668 nan 8.190 nan 0.000 0.436 217 R N 4.512 125.084 120.500 0.120 0.000 2.774 217 R HA 0.375 4.715 4.340 -0.000 0.000 0.279 217 R C -1.744 174.543 176.300 -0.022 0.000 1.022 217 R CA -0.937 55.203 56.100 0.067 0.000 0.855 217 R CB 1.565 31.895 30.300 0.050 0.000 1.279 217 R HN 0.469 nan 8.270 nan 0.000 0.485 218 K N 2.340 122.716 120.400 -0.039 0.000 2.187 218 K HA 0.154 4.474 4.320 -0.000 0.000 0.242 218 K C -0.711 175.780 176.600 -0.182 0.000 1.179 218 K CA -0.091 56.111 56.287 -0.141 0.000 1.097 218 K CB -0.081 32.584 32.500 0.276 0.000 1.634 218 K HN 0.261 nan 8.250 nan 0.000 0.335 219 Y N 0.570 120.679 120.300 -0.319 0.000 2.862 219 Y HA 0.405 4.955 4.550 -0.000 0.000 0.347 219 Y C 0.157 175.931 175.900 -0.211 0.000 1.234 219 Y CA -1.572 56.410 58.100 -0.196 0.000 1.204 219 Y CB 1.234 39.605 38.460 -0.148 0.000 1.464 219 Y HN 0.090 nan 8.280 nan 0.000 0.710 220 V N 0.320 120.363 119.914 0.215 0.000 3.063 220 V HA 0.252 4.372 4.120 -0.000 0.000 0.249 220 V C -1.340 174.609 176.094 -0.242 0.000 0.908 220 V CA -1.123 61.164 62.300 -0.021 0.000 0.966 220 V CB -0.196 31.674 31.823 0.079 0.000 1.015 220 V HN 0.560 nan 8.190 nan 0.000 0.512 221 L N 4.077 125.129 121.223 -0.286 0.000 2.745 221 L HA 0.229 4.569 4.340 -0.000 0.000 0.273 221 L C -1.785 174.938 176.870 -0.246 0.000 1.156 221 L CA -0.452 54.189 54.840 -0.331 0.000 0.982 221 L CB -0.739 41.187 42.059 -0.221 0.000 1.295 221 L HN 0.362 nan 8.230 nan 0.000 0.483 222 P HA 0.088 nan 4.420 nan 0.000 0.272 222 P C 0.465 177.687 177.300 -0.130 0.000 1.223 222 P CA -0.301 62.693 63.100 -0.176 0.000 0.784 222 P CB 0.882 32.423 31.700 -0.265 0.000 0.923 223 S N 0.742 116.459 115.700 0.027 0.000 2.562 223 S HA 0.102 4.571 4.470 -0.000 0.000 0.221 223 S C 0.382 175.020 174.600 0.063 0.000 0.975 223 S CA 0.028 58.270 58.200 0.069 0.000 0.918 223 S CB -0.891 62.416 63.200 0.178 0.000 0.772 223 S HN 0.566 nan 8.310 nan 0.000 0.531 224 F N 0.226 120.016 119.950 -0.266 0.000 2.556 224 F HA 0.693 5.220 4.527 -0.000 0.000 0.314 224 F C -0.483 175.182 175.800 -0.226 0.000 1.106 224 F CA -1.353 56.459 58.000 -0.313 0.000 0.911 224 F CB 1.136 39.808 39.000 -0.546 0.000 1.190 224 F HN -0.113 nan 8.300 nan 0.000 0.448 225 E N 2.320 122.375 120.200 -0.242 0.000 2.383 225 E HA 0.434 4.784 4.350 -0.000 0.000 0.264 225 E C -1.508 174.945 176.600 -0.245 0.000 1.050 225 E CA -0.539 55.700 56.400 -0.269 0.000 0.896 225 E CB 1.630 31.242 29.700 -0.146 0.000 0.982 225 E HN 0.671 nan 8.360 nan 0.000 0.424 226 V N 5.353 125.107 119.914 -0.267 0.000 2.483 226 V HA 0.385 4.505 4.120 -0.000 0.000 0.297 226 V C -0.415 175.607 176.094 -0.120 0.000 1.027 226 V CA -0.552 61.651 62.300 -0.161 0.000 0.855 226 V CB 1.652 33.361 31.823 -0.190 0.000 0.995 226 V HN 0.669 nan 8.190 nan 0.000 0.424 227 R N 5.202 125.657 120.500 -0.075 0.000 2.637 227 R HA 0.727 5.067 4.340 -0.000 0.000 0.291 227 R C -1.338 174.935 176.300 -0.045 0.000 0.963 227 R CA -0.740 55.322 56.100 -0.063 0.000 0.901 227 R CB 2.261 32.531 30.300 -0.051 0.000 1.160 227 R HN 0.518 nan 8.270 nan 0.000 0.457 228 L N 1.832 123.030 121.223 -0.042 0.000 2.333 228 L HA 0.487 4.827 4.340 -0.000 0.000 0.269 228 L C -0.584 176.279 176.870 -0.011 0.000 1.010 228 L CA -0.999 53.826 54.840 -0.026 0.000 0.818 228 L CB 2.010 44.051 42.059 -0.029 0.000 1.306 228 L HN 0.443 nan 8.230 nan 0.000 0.430 229 Q N 2.612 122.415 119.800 0.005 0.000 2.374 229 Q HA 0.418 4.758 4.340 -0.000 0.000 0.250 229 Q C -2.684 173.347 176.000 0.051 0.000 0.918 229 Q CA -1.380 54.434 55.803 0.019 0.000 0.778 229 Q CB 2.431 31.175 28.738 0.010 0.000 1.328 229 Q HN 0.141 nan 8.270 nan 0.000 0.445 230 P HA 0.149 nan 4.420 nan 0.000 0.272 230 P C 0.051 177.454 177.300 0.171 0.000 1.240 230 P CA -0.120 63.096 63.100 0.192 0.000 0.791 230 P CB 0.991 32.839 31.700 0.246 0.000 0.978 231 S N -0.721 115.140 115.700 0.268 0.000 2.345 231 S HA -0.030 4.440 4.470 -0.000 0.000 0.219 231 S C 0.519 175.070 174.600 -0.080 0.000 1.031 231 S CA 1.017 59.287 58.200 0.117 0.000 0.984 231 S CB -0.414 62.920 63.200 0.224 0.000 0.874 231 S HN 0.468 nan 8.310 nan 0.000 0.451 232 E N 0.392 120.441 120.200 -0.250 0.000 2.312 232 E HA 0.412 4.762 4.350 -0.000 0.000 0.267 232 E C -0.359 175.871 176.600 -0.617 0.000 0.894 232 E CA -0.680 55.355 56.400 -0.608 0.000 0.773 232 E CB 1.532 30.614 29.700 -1.031 0.000 1.241 232 E HN -0.012 nan 8.360 nan 0.000 0.432 233 K N 0.810 120.785 120.400 -0.708 0.000 2.585 233 K HA -0.014 4.306 4.320 -0.000 0.000 0.194 233 K C -0.338 176.160 176.600 -0.170 0.000 1.037 233 K CA 0.636 56.720 56.287 -0.339 0.000 0.964 233 K CB -0.353 32.006 32.500 -0.235 0.000 0.787 233 K HN 0.363 nan 8.250 nan 0.000 0.488 234 F N -4.022 115.839 119.950 -0.148 0.000 2.877 234 F HA 0.518 5.045 4.527 -0.000 0.000 0.319 234 F C -1.681 173.982 175.800 -0.227 0.000 1.174 234 F CA -2.520 55.399 58.000 -0.134 0.000 0.903 234 F CB 0.514 39.389 39.000 -0.209 0.000 1.357 234 F HN -0.236 nan 8.300 nan 0.000 0.472 235 F N 1.700 121.733 119.950 0.138 0.000 2.617 235 F HA 0.572 5.099 4.527 -0.000 0.000 0.325 235 F C -1.640 174.155 175.800 -0.009 0.000 1.179 235 F CA -1.190 56.785 58.000 -0.042 0.000 0.965 235 F CB 1.097 40.088 39.000 -0.014 0.000 1.232 235 F HN 0.430 nan 8.300 nan 0.000 0.461 236 Y N 7.093 127.079 120.300 -0.523 0.000 2.697 236 Y HA 0.083 4.633 4.550 -0.000 0.000 0.349 236 Y C 1.625 177.253 175.900 -0.454 0.000 1.120 236 Y CA 0.116 57.938 58.100 -0.464 0.000 1.468 236 Y CB 0.127 38.328 38.460 -0.432 0.000 1.182 236 Y HN 0.646 nan 8.280 nan 0.000 0.525 237 I N 2.722 123.263 120.570 -0.047 0.000 3.185 237 I HA -0.249 3.921 4.170 -0.000 0.000 0.286 237 I C -0.015 176.032 176.117 -0.116 0.000 1.323 237 I CA 1.407 62.690 61.300 -0.028 0.000 1.392 237 I CB -0.179 37.840 38.000 0.033 0.000 1.063 237 I HN 0.707 nan 8.210 nan 0.000 0.525 238 D N -1.797 118.508 120.400 -0.159 0.000 3.629 238 D HA 0.238 4.878 4.640 -0.000 0.000 0.306 238 D C -0.144 176.052 176.300 -0.172 0.000 1.431 238 D CA -0.201 53.704 54.000 -0.158 0.000 0.748 238 D CB -0.423 40.300 40.800 -0.129 0.000 1.315 238 D HN 0.083 nan 8.370 nan 0.000 0.667 239 G N -0.443 108.242 108.800 -0.192 0.000 3.257 239 G HA2 0.378 4.338 3.960 -0.000 0.000 0.205 239 G HA3 0.378 4.338 3.960 -0.000 0.000 0.205 239 G C 0.201 175.044 174.900 -0.096 0.000 1.234 239 G CA -0.749 44.267 45.100 -0.141 0.000 0.918 239 G HN 0.083 nan 8.290 nan 0.000 0.602 240 N N 0.052 118.727 118.700 -0.042 0.000 2.145 240 N HA 0.036 4.776 4.740 -0.000 0.000 0.219 240 N C 0.012 175.548 175.510 0.044 0.000 1.266 240 N CA -0.135 52.919 53.050 0.006 0.000 0.902 240 N CB 1.196 39.692 38.487 0.014 0.000 1.078 240 N HN 0.697 nan 8.380 nan 0.000 0.513 241 E N 2.306 122.526 120.200 0.033 0.000 2.415 241 E HA 0.032 4.382 4.350 -0.000 0.000 0.263 241 E C -0.403 176.280 176.600 0.138 0.000 0.995 241 E CA 0.202 56.645 56.400 0.072 0.000 0.915 241 E CB 0.708 30.438 29.700 0.050 0.000 0.951 241 E HN 0.032 nan 8.360 nan 0.000 0.449 242 N N 2.893 121.659 118.700 0.109 0.000 2.381 242 N HA 0.180 4.920 4.740 -0.000 0.000 0.254 242 N C -0.807 174.699 175.510 -0.007 0.000 1.264 242 N CA -0.117 52.969 53.050 0.059 0.000 0.942 242 N CB 0.623 39.071 38.487 -0.065 0.000 1.190 242 N HN 0.519 nan 8.380 nan 0.000 0.495 243 F N 1.360 121.143 119.950 -0.278 0.000 2.382 243 F HA 0.212 4.739 4.527 -0.000 0.000 0.361 243 F C -0.110 175.464 175.800 -0.378 0.000 1.109 243 F CA -0.895 56.920 58.000 -0.309 0.000 1.031 243 F CB 0.583 39.309 39.000 -0.457 0.000 1.234 243 F HN 0.319 nan 8.300 nan 0.000 0.445 244 H N 5.765 125.116 119.070 0.468 0.000 2.517 244 H HA 0.334 4.890 4.556 -0.000 0.000 0.317 244 H C -0.576 174.844 175.328 0.153 0.000 1.080 244 H CA -0.555 55.624 56.048 0.219 0.000 1.301 244 H CB 1.872 31.725 29.762 0.152 0.000 1.425 244 H HN 0.272 nan 8.280 nan 0.000 0.471 245 V N 3.151 123.154 119.914 0.147 0.000 2.370 245 V HA 0.133 4.253 4.120 -0.000 0.000 0.283 245 V C 0.511 176.656 176.094 0.084 0.000 1.023 245 V CA -0.673 61.671 62.300 0.073 0.000 0.857 245 V CB 1.394 33.228 31.823 0.018 0.000 0.985 245 V HN 0.714 nan 8.190 nan 0.000 0.443 246 S N 5.768 121.507 115.700 0.065 0.000 2.537 246 S HA 0.652 5.122 4.470 -0.000 0.000 0.275 246 S C -0.238 174.369 174.600 0.011 0.000 1.272 246 S CA -0.316 57.906 58.200 0.036 0.000 1.050 246 S CB 0.638 63.853 63.200 0.027 0.000 0.961 246 S HN 0.544 nan 8.310 nan 0.000 0.496 247 I N 3.244 123.813 120.570 -0.001 0.000 2.436 247 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 247 I C 0.119 176.228 176.117 -0.014 0.000 1.010 247 I CA -0.516 60.775 61.300 -0.015 0.000 1.098 247 I CB 1.990 39.973 38.000 -0.028 0.000 1.266 247 I HN 0.583 nan 8.210 nan 0.000 0.434 248 T N 2.444 116.990 114.554 -0.014 0.000 2.912 248 T HA 0.907 5.257 4.350 -0.000 0.000 0.288 248 T C -0.579 174.120 174.700 -0.002 0.000 1.030 248 T CA -0.937 61.157 62.100 -0.009 0.000 1.020 248 T CB 2.452 71.314 68.868 -0.010 0.000 1.056 248 T HN 0.740 nan 8.240 nan 0.000 0.480 249 A N 2.063 124.892 122.820 0.015 0.000 2.491 249 A HA 0.783 5.103 4.320 -0.000 0.000 0.293 249 A C -0.752 176.870 177.584 0.063 0.000 1.047 249 A CA -1.038 51.034 52.037 0.058 0.000 0.735 249 A CB 1.296 20.373 19.000 0.128 0.000 1.281 249 A HN 0.837 nan 8.150 nan 0.000 0.398 250 R N 0.988 121.529 120.500 0.069 0.000 2.604 250 R HA 0.428 4.768 4.340 -0.000 0.000 0.281 250 R C -1.518 174.799 176.300 0.030 0.000 1.020 250 R CA -0.642 55.482 56.100 0.041 0.000 0.899 250 R CB 1.807 32.112 30.300 0.008 0.000 1.205 250 R HN 0.724 nan 8.270 nan 0.000 0.450 251 Y N 2.511 122.708 120.300 -0.172 0.000 2.702 251 Y HA -0.110 4.440 4.550 -0.000 0.000 0.336 251 Y C 1.859 177.573 175.900 -0.310 0.000 1.235 251 Y CA 0.215 58.123 58.100 -0.321 0.000 1.492 251 Y CB 0.536 38.438 38.460 -0.929 0.000 1.308 251 Y HN 0.533 nan 8.280 nan 0.000 0.589 252 L N 2.577 123.764 121.223 -0.061 0.000 2.270 252 L HA -0.305 4.035 4.340 -0.000 0.000 0.217 252 L C 1.578 178.448 176.870 -0.000 0.000 1.107 252 L CA 1.410 56.225 54.840 -0.040 0.000 0.772 252 L CB -0.707 41.330 42.059 -0.036 0.000 0.902 252 L HN 0.824 nan 8.230 nan 0.000 0.439 253 Y N -1.265 119.068 120.300 0.055 0.000 2.546 253 Y HA 0.401 4.951 4.550 -0.000 0.000 0.287 253 Y C 1.410 177.335 175.900 0.042 0.000 1.158 253 Y CA -0.004 58.104 58.100 0.014 0.000 1.307 253 Y CB -0.598 37.854 38.460 -0.013 0.000 1.036 253 Y HN 0.047 nan 8.280 nan 0.000 0.532 254 G N 0.293 109.071 108.800 -0.036 0.000 2.270 254 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.224 254 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.224 254 G C -0.651 174.230 174.900 -0.032 0.000 1.079 254 G CA -0.211 44.884 45.100 -0.008 0.000 0.807 254 G HN 0.334 nan 8.290 nan 0.000 0.492 255 E N 0.035 120.167 120.200 -0.113 0.000 2.343 255 E HA 0.344 4.694 4.350 -0.000 0.000 0.270 255 E C 0.172 176.746 176.600 -0.043 0.000 0.895 255 E CA -0.823 55.502 56.400 -0.127 0.000 0.767 255 E CB 1.403 30.960 29.700 -0.239 0.000 1.248 255 E HN 0.561 nan 8.360 nan 0.000 0.440 256 E N 0.517 120.694 120.200 -0.038 0.000 2.415 256 E HA 0.188 4.538 4.350 -0.000 0.000 0.262 256 E C -0.114 176.562 176.600 0.127 0.000 1.038 256 E CA -0.134 56.280 56.400 0.022 0.000 0.921 256 E CB 0.861 30.555 29.700 -0.010 0.000 0.950 256 E HN 0.062 nan 8.360 nan 0.000 0.438 257 V N 1.770 121.740 119.914 0.093 0.000 2.837 257 V HA 0.218 4.338 4.120 -0.000 0.000 0.310 257 V C -0.111 175.994 176.094 0.019 0.000 1.059 257 V CA -0.314 62.024 62.300 0.064 0.000 1.004 257 V CB 1.732 33.397 31.823 -0.264 0.000 1.045 257 V HN 0.698 nan 8.190 nan 0.000 0.465 258 E N 0.476 120.686 120.200 0.017 0.000 2.256 258 E HA 0.685 5.035 4.350 -0.000 0.000 0.268 258 E C -0.167 176.409 176.600 -0.040 0.000 0.877 258 E CA 0.233 56.633 56.400 0.000 0.000 0.757 258 E CB 1.897 31.626 29.700 0.048 0.000 1.183 258 E HN 0.906 nan 8.360 nan 0.000 0.418 259 G N 1.178 109.948 108.800 -0.051 0.000 2.441 259 G HA2 0.322 4.282 3.960 -0.000 0.000 0.225 259 G HA3 0.322 4.282 3.960 -0.000 0.000 0.225 259 G C -1.587 173.239 174.900 -0.123 0.000 1.200 259 G CA -0.221 44.838 45.100 -0.068 0.000 0.947 259 G HN 0.480 nan 8.290 nan 0.000 0.484 260 V N 0.436 120.235 119.914 -0.192 0.000 2.638 260 V HA 0.806 4.926 4.120 -0.000 0.000 0.306 260 V C -0.178 175.688 176.094 -0.380 0.000 1.052 260 V CA -0.006 62.076 62.300 -0.364 0.000 0.885 260 V CB 1.395 32.803 31.823 -0.693 0.000 0.999 260 V HN 1.790 nan 8.190 nan 0.000 0.424 261 A N 4.573 127.190 122.820 -0.338 0.000 2.359 261 A HA 0.887 5.207 4.320 -0.000 0.000 0.303 261 A C -1.237 176.249 177.584 -0.163 0.000 1.066 261 A CA -0.380 51.479 52.037 -0.296 0.000 0.730 261 A CB 0.853 19.753 19.000 -0.166 0.000 1.211 261 A HN 0.517 nan 8.150 nan 0.000 0.439 262 F N 1.957 121.774 119.950 -0.221 0.000 2.420 262 F HA 0.530 5.057 4.527 -0.000 0.000 0.352 262 F C 0.281 175.838 175.800 -0.405 0.000 1.108 262 F CA -1.027 56.755 58.000 -0.364 0.000 1.162 262 F CB 1.411 40.102 39.000 -0.516 0.000 1.118 262 F HN 0.288 nan 8.300 nan 0.000 0.510 263 V N 4.568 124.328 119.914 -0.256 0.000 2.680 263 V HA 0.662 4.782 4.120 -0.000 0.000 0.309 263 V C -0.861 174.890 176.094 -0.571 0.000 1.052 263 V CA -0.933 61.122 62.300 -0.408 0.000 0.908 263 V CB 2.070 33.619 31.823 -0.457 0.000 1.001 263 V HN 0.554 nan 8.190 nan 0.000 0.431 264 L N 3.722 124.617 121.223 -0.547 0.000 2.439 264 L HA 0.801 5.141 4.340 -0.000 0.000 0.270 264 L C -1.537 175.144 176.870 -0.314 0.000 0.972 264 L CA 0.007 54.597 54.840 -0.416 0.000 0.836 264 L CB 1.549 43.494 42.059 -0.190 0.000 1.255 264 L HN 0.423 nan 8.230 nan 0.000 0.404 265 F N 3.063 122.950 119.950 -0.104 0.000 2.397 265 F HA 0.929 5.456 4.527 -0.000 0.000 0.331 265 F C 1.070 176.711 175.800 -0.266 0.000 1.090 265 F CA -0.177 57.711 58.000 -0.186 0.000 1.065 265 F CB 1.890 40.697 39.000 -0.321 0.000 1.184 265 F HN 0.722 nan 8.300 nan 0.000 0.499 266 G N 0.284 108.854 108.800 -0.384 0.000 2.721 266 G HA2 0.641 4.601 3.960 -0.000 0.000 0.296 266 G HA3 0.641 4.601 3.960 -0.000 0.000 0.296 266 G C -2.267 171.987 174.900 -1.077 0.000 1.383 266 G CA -0.753 43.832 45.100 -0.858 0.000 0.788 266 G HN 0.479 nan 8.290 nan 0.000 0.500 267 V N 0.078 119.594 119.914 -0.664 0.000 2.760 267 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 267 V C -0.412 175.606 176.094 -0.128 0.000 1.077 267 V CA -0.913 61.206 62.300 -0.303 0.000 0.910 267 V CB 2.015 33.877 31.823 0.065 0.000 1.008 267 V HN 0.692 nan 8.190 nan 0.000 0.424 268 K N 5.165 125.579 120.400 0.025 0.000 2.300 268 K HA 0.494 4.814 4.320 -0.000 0.000 0.264 268 K C -0.095 176.543 176.600 0.063 0.000 1.083 268 K CA -0.459 55.925 56.287 0.162 0.000 0.958 268 K CB 0.448 33.121 32.500 0.288 0.000 1.318 268 K HN 0.773 nan 8.250 nan 0.000 0.448 269 I N 1.842 122.348 120.570 -0.106 0.000 2.329 269 I HA 0.130 4.300 4.170 -0.000 0.000 0.295 269 I C -0.277 175.894 176.117 0.090 0.000 1.109 269 I CA -0.612 60.529 61.300 -0.264 0.000 1.297 269 I CB 0.001 37.763 38.000 -0.396 0.000 1.433 269 I HN 0.625 nan 8.210 nan 0.000 0.509 270 D N 4.528 125.096 120.400 0.279 0.000 3.574 270 D HA -0.304 4.336 4.640 -0.000 0.000 0.153 270 D C 0.165 176.540 176.300 0.125 0.000 0.965 270 D CA 2.052 56.165 54.000 0.188 0.000 1.047 270 D CB -0.466 40.426 40.800 0.154 0.000 0.492 270 D HN 0.728 nan 8.370 nan 0.000 0.492 271 D N 1.485 121.941 120.400 0.092 0.000 3.085 271 D HA 0.559 5.199 4.640 -0.000 0.000 0.243 271 D C -0.515 175.823 176.300 0.064 0.000 1.232 271 D CA 0.491 54.534 54.000 0.071 0.000 0.913 271 D CB -0.371 40.462 40.800 0.055 0.000 1.108 271 D HN 0.534 nan 8.370 nan 0.000 0.468 272 A N 0.579 123.443 122.820 0.074 0.000 2.512 272 A HA 0.400 4.720 4.320 -0.000 0.000 0.294 272 A C -0.360 177.283 177.584 0.098 0.000 1.054 272 A CA -0.908 51.171 52.037 0.070 0.000 0.756 272 A CB 1.548 20.578 19.000 0.050 0.000 1.293 272 A HN -0.012 nan 8.150 nan 0.000 0.395 273 K N 1.000 121.484 120.400 0.139 0.000 2.087 273 K HA 0.608 4.928 4.320 -0.000 0.000 0.255 273 K C -0.593 176.130 176.600 0.205 0.000 0.988 273 K CA -0.488 55.951 56.287 0.254 0.000 0.915 273 K CB 1.657 34.359 32.500 0.337 0.000 1.043 273 K HN 0.565 nan 8.250 nan 0.000 0.457 274 K N 0.849 121.374 120.400 0.209 0.000 2.507 274 K HA 0.235 4.555 4.320 -0.000 0.000 0.252 274 K C -1.057 175.636 176.600 0.154 0.000 0.943 274 K CA -0.320 56.079 56.287 0.187 0.000 0.808 274 K CB 1.816 34.457 32.500 0.235 0.000 1.142 274 K HN 0.517 nan 8.250 nan 0.000 0.426 275 S N 2.754 118.547 115.700 0.155 0.000 2.579 275 S HA 0.221 4.691 4.470 -0.000 0.000 0.275 275 S C 0.557 175.142 174.600 -0.025 0.000 1.345 275 S CA -0.221 58.049 58.200 0.115 0.000 1.031 275 S CB 0.299 63.597 63.200 0.163 0.000 0.892 275 S HN 0.462 nan 8.310 nan 0.000 0.529 276 I N 2.956 123.471 120.570 -0.091 0.000 2.802 276 I HA 0.202 4.372 4.170 -0.000 0.000 0.307 276 I C -1.925 174.141 176.117 -0.085 0.000 1.232 276 I CA -1.944 59.236 61.300 -0.199 0.000 1.060 276 I CB 0.207 38.023 38.000 -0.306 0.000 1.866 276 I HN 0.385 nan 8.210 nan 0.000 0.568 277 P HA -0.284 nan 4.420 nan 0.000 0.221 277 P C 0.745 178.047 177.300 0.003 0.000 1.107 277 P CA 1.858 64.978 63.100 0.033 0.000 0.986 277 P CB 0.077 31.778 31.700 0.001 0.000 0.774 278 D N -1.558 118.824 120.400 -0.029 0.000 2.378 278 D HA -0.091 4.549 4.640 -0.000 0.000 0.222 278 D C 1.893 178.170 176.300 -0.038 0.000 0.980 278 D CA 1.192 55.174 54.000 -0.030 0.000 0.907 278 D CB -0.622 40.161 40.800 -0.027 0.000 0.899 278 D HN 0.313 nan 8.370 nan 0.000 0.527 279 S N 0.428 116.101 115.700 -0.045 0.000 2.402 279 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 279 S C 1.078 175.602 174.600 -0.126 0.000 1.021 279 S CA -0.142 58.035 58.200 -0.037 0.000 0.974 279 S CB -0.823 62.394 63.200 0.029 0.000 0.800 279 S HN 0.407 nan 8.310 nan 0.000 0.484 280 L N 3.026 124.163 121.223 -0.144 0.000 2.513 280 L HA 0.526 4.866 4.340 -0.000 0.000 0.272 280 L C -0.324 176.396 176.870 -0.250 0.000 1.187 280 L CA 0.499 55.188 54.840 -0.252 0.000 0.895 280 L CB -0.010 41.909 42.059 -0.234 0.000 1.147 280 L HN 0.385 nan 8.230 nan 0.000 0.483 281 T N 1.686 116.063 114.554 -0.295 0.000 2.843 281 T HA 0.481 4.831 4.350 -0.000 0.000 0.302 281 T C -0.639 173.933 174.700 -0.213 0.000 1.232 281 T CA -1.045 60.916 62.100 -0.233 0.000 1.009 281 T CB 1.291 70.069 68.868 -0.150 0.000 1.254 281 T HN 0.881 nan 8.240 nan 0.000 0.504 282 R N 0.789 121.192 120.500 -0.161 0.000 2.346 282 R HA 0.691 5.031 4.340 -0.000 0.000 0.311 282 R C -1.508 174.717 176.300 -0.126 0.000 0.983 282 R CA -0.801 55.271 56.100 -0.048 0.000 0.880 282 R CB 0.449 30.714 30.300 -0.059 0.000 1.100 282 R HN 0.625 nan 8.270 nan 0.000 0.453 283 I N 6.025 126.512 120.570 -0.138 0.000 2.534 283 I HA 0.328 4.498 4.170 -0.000 0.000 0.288 283 I C -2.351 173.631 176.117 -0.223 0.000 1.077 283 I CA -2.471 58.726 61.300 -0.171 0.000 1.051 283 I CB 2.127 40.058 38.000 -0.115 0.000 1.234 283 I HN 0.499 nan 8.210 nan 0.000 0.425 284 P HA 0.240 nan 4.420 nan 0.000 0.274 284 P C -0.715 176.525 177.300 -0.101 0.000 1.291 284 P CA -0.146 62.837 63.100 -0.195 0.000 0.815 284 P CB -0.013 31.623 31.700 -0.107 0.000 0.897 285 I N 5.543 126.052 120.570 -0.103 0.000 2.379 285 I HA 0.151 4.321 4.170 -0.000 0.000 0.290 285 I C 0.385 176.480 176.117 -0.036 0.000 1.063 285 I CA 0.298 61.559 61.300 -0.064 0.000 1.351 285 I CB -0.203 37.755 38.000 -0.070 0.000 1.410 285 I HN 0.174 nan 8.210 nan 0.000 0.505 286 I N 5.259 125.816 120.570 -0.021 0.000 2.465 286 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 286 I C 0.241 176.353 176.117 -0.008 0.000 1.014 286 I CA -0.613 60.683 61.300 -0.007 0.000 1.093 286 I CB 1.391 39.391 38.000 -0.001 0.000 1.267 286 I HN 0.514 nan 8.210 nan 0.000 0.431 287 D N 4.970 125.368 120.400 -0.003 0.000 2.737 287 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 287 D C 1.321 177.617 176.300 -0.008 0.000 1.155 287 D CA 1.695 55.691 54.000 -0.006 0.000 0.667 287 D CB -0.839 39.954 40.800 -0.011 0.000 1.060 287 D HN 1.158 nan 8.370 nan 0.000 0.427 288 G N -0.952 107.844 108.800 -0.006 0.000 2.179 288 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 288 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 288 G C -0.098 174.796 174.900 -0.010 0.000 0.977 288 G CA 0.442 45.538 45.100 -0.006 0.000 0.641 288 G HN 0.469 nan 8.290 nan 0.000 0.533 289 D N -0.038 120.354 120.400 -0.014 0.000 2.350 289 D HA 0.712 5.352 4.640 -0.000 0.000 0.238 289 D C 0.391 176.678 176.300 -0.020 0.000 0.989 289 D CA 0.776 54.768 54.000 -0.014 0.000 0.921 289 D CB 1.590 42.383 40.800 -0.012 0.000 1.297 289 D HN 1.056 nan 8.370 nan 0.000 0.490 290 G N 0.204 108.993 108.800 -0.019 0.000 2.476 290 G HA2 0.382 4.342 3.960 -0.000 0.000 0.309 290 G HA3 0.382 4.342 3.960 -0.000 0.000 0.309 290 G C -1.490 173.403 174.900 -0.011 0.000 1.575 290 G CA -0.866 44.221 45.100 -0.022 0.000 0.913 290 G HN 0.324 nan 8.290 nan 0.000 0.623 291 K N 0.847 121.249 120.400 0.004 0.000 2.206 291 K HA 0.856 5.176 4.320 -0.000 0.000 0.264 291 K C -0.111 176.518 176.600 0.048 0.000 0.967 291 K CA -0.216 56.092 56.287 0.036 0.000 0.844 291 K CB 1.706 34.234 32.500 0.047 0.000 1.099 291 K HN 1.090 nan 8.250 nan 0.000 0.441 292 A N 2.862 125.723 122.820 0.068 0.000 2.386 292 A HA 0.665 4.985 4.320 -0.000 0.000 0.311 292 A C -1.106 176.581 177.584 0.171 0.000 1.068 292 A CA -0.724 51.349 52.037 0.060 0.000 0.743 292 A CB 1.650 20.624 19.000 -0.043 0.000 1.258 292 A HN 0.690 nan 8.150 nan 0.000 0.429 293 T N 2.382 117.044 114.554 0.180 0.000 2.824 293 T HA 0.479 4.829 4.350 -0.000 0.000 0.282 293 T C -0.758 174.113 174.700 0.286 0.000 0.993 293 T CA -0.361 61.853 62.100 0.190 0.000 0.967 293 T CB 1.157 70.097 68.868 0.121 0.000 0.960 293 T HN 0.646 nan 8.240 nan 0.000 0.441 294 L N 3.232 124.548 121.223 0.155 0.000 2.305 294 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 294 L C -0.162 176.713 176.870 0.008 0.000 1.085 294 L CA -0.522 54.331 54.840 0.022 0.000 0.813 294 L CB 0.651 42.333 42.059 -0.628 0.000 1.157 294 L HN 0.370 nan 8.230 nan 0.000 0.436 295 K N 2.903 123.340 120.400 0.062 0.000 2.183 295 K HA 0.352 4.672 4.320 -0.000 0.000 0.274 295 K C 0.790 177.476 176.600 0.144 0.000 1.009 295 K CA -0.317 56.022 56.287 0.086 0.000 0.888 295 K CB 1.478 34.022 32.500 0.073 0.000 1.078 295 K HN 0.572 nan 8.250 nan 0.000 0.459 296 R N 2.158 122.764 120.500 0.177 0.000 2.073 296 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 296 R C 0.469 176.890 176.300 0.202 0.000 1.134 296 R CA 2.178 58.427 56.100 0.249 0.000 0.952 296 R CB -0.375 30.035 30.300 0.184 0.000 0.850 296 R HN 0.851 nan 8.270 nan 0.000 0.433 297 D N -1.096 119.381 120.400 0.128 0.000 2.126 297 D HA -0.182 4.458 4.640 -0.000 0.000 0.190 297 D C 1.744 178.108 176.300 0.107 0.000 1.001 297 D CA 2.417 56.474 54.000 0.096 0.000 0.841 297 D CB -0.625 40.216 40.800 0.067 0.000 0.949 297 D HN 0.349 nan 8.370 nan 0.000 0.446 298 T N 0.130 114.744 114.554 0.100 0.000 2.788 298 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 298 T C 1.709 176.480 174.700 0.119 0.000 1.044 298 T CA 0.640 62.783 62.100 0.072 0.000 1.139 298 T CB -0.491 68.397 68.868 0.035 0.000 0.867 298 T HN 0.034 nan 8.240 nan 0.000 0.454 299 F N 3.064 123.009 119.950 -0.009 0.000 2.046 299 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 299 F C 2.415 178.218 175.800 0.005 0.000 1.123 299 F CA 1.016 59.006 58.000 -0.018 0.000 1.199 299 F CB -0.625 38.434 39.000 0.098 0.000 0.972 299 F HN 0.013 nan 8.300 nan 0.000 0.474 300 R N -0.700 119.945 120.500 0.242 0.000 2.096 300 R HA -0.178 4.162 4.340 -0.000 0.000 0.240 300 R C 2.400 178.772 176.300 0.121 0.000 1.139 300 R CA 1.663 57.825 56.100 0.105 0.000 0.952 300 R CB -1.210 29.120 30.300 0.049 0.000 0.854 300 R HN 0.209 nan 8.270 nan 0.000 0.436 301 S N 0.071 115.829 115.700 0.095 0.000 2.547 301 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 301 S C 1.696 176.316 174.600 0.033 0.000 0.980 301 S CA 0.892 59.127 58.200 0.058 0.000 0.941 301 S CB -0.054 63.170 63.200 0.040 0.000 0.763 301 S HN 0.166 nan 8.310 nan 0.000 0.532 302 R N -0.452 120.051 120.500 0.005 0.000 2.221 302 R HA 0.291 4.631 4.340 -0.000 0.000 0.195 302 R C -0.408 175.919 176.300 0.045 0.000 0.956 302 R CA 0.827 56.847 56.100 -0.133 0.000 1.064 302 R CB -0.014 29.998 30.300 -0.479 0.000 1.049 302 R HN 0.270 nan 8.270 nan 0.000 0.534 303 F N 1.829 121.897 119.950 0.198 0.000 2.679 303 F HA 0.452 4.979 4.527 -0.000 0.000 0.354 303 F C -1.805 174.030 175.800 0.060 0.000 1.423 303 F CA -3.089 55.005 58.000 0.156 0.000 1.141 303 F CB 1.489 40.663 39.000 0.291 0.000 1.168 303 F HN -0.019 nan 8.300 nan 0.000 0.530 304 P HA -0.178 nan 4.420 nan 0.000 0.223 304 P C 0.522 177.866 177.300 0.073 0.000 1.144 304 P CA 0.984 64.147 63.100 0.105 0.000 0.783 304 P CB 0.272 32.022 31.700 0.083 0.000 0.771 305 N N 0.765 119.519 118.700 0.089 0.000 2.968 305 N HA 0.026 4.766 4.740 -0.000 0.000 0.271 305 N C 1.186 176.703 175.510 0.011 0.000 1.174 305 N CA -0.265 52.808 53.050 0.039 0.000 1.096 305 N CB -0.320 38.186 38.487 0.032 0.000 1.403 305 N HN -0.190 nan 8.380 nan 0.000 0.522 306 L N 2.977 124.201 121.223 0.001 0.000 2.034 306 L HA -0.243 4.097 4.340 -0.000 0.000 0.217 306 L C 2.208 179.074 176.870 -0.006 0.000 1.077 306 L CA 1.580 56.411 54.840 -0.015 0.000 0.769 306 L CB -1.164 40.880 42.059 -0.025 0.000 0.890 306 L HN 0.618 nan 8.230 nan 0.000 0.435 307 N N 0.051 118.750 118.700 -0.003 0.000 2.096 307 N HA -0.276 4.464 4.740 -0.000 0.000 0.195 307 N C 1.670 177.187 175.510 0.012 0.000 1.017 307 N CA 2.090 55.143 53.050 0.005 0.000 0.870 307 N CB -0.033 38.457 38.487 0.004 0.000 1.024 307 N HN 0.580 nan 8.380 nan 0.000 0.434 308 E N 0.133 120.327 120.200 -0.011 0.000 2.204 308 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 308 E C 2.115 178.724 176.600 0.015 0.000 0.990 308 E CA 0.586 56.969 56.400 -0.029 0.000 0.821 308 E CB 0.024 29.652 29.700 -0.118 0.000 0.750 308 E HN 0.453 nan 8.360 nan 0.000 0.477 309 L N 0.805 122.044 121.223 0.026 0.000 2.179 309 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 309 L C 0.744 177.753 176.870 0.230 0.000 1.096 309 L CA -0.011 54.902 54.840 0.121 0.000 0.779 309 L CB -0.095 42.026 42.059 0.104 0.000 0.922 309 L HN -0.060 nan 8.230 nan 0.000 0.443 310 V N 1.855 121.843 119.914 0.124 0.000 2.717 310 V HA -0.071 4.049 4.120 -0.000 0.000 0.302 310 V C 1.316 177.424 176.094 0.023 0.000 1.097 310 V CA 1.302 63.646 62.300 0.073 0.000 1.262 310 V CB -0.731 31.113 31.823 0.034 0.000 0.846 310 V HN 0.704 nan 8.190 nan 0.000 0.485 311 G N 3.169 111.975 108.800 0.010 0.000 2.225 311 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.264 311 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.264 311 G C -0.208 174.550 174.900 -0.238 0.000 1.060 311 G CA 0.504 45.559 45.100 -0.076 0.000 0.833 311 G HN 0.987 nan 8.290 nan 0.000 0.498 312 H N -0.985 118.178 119.070 0.154 0.000 3.024 312 H HA 0.831 5.387 4.556 -0.000 0.000 0.305 312 H C 0.390 175.802 175.328 0.139 0.000 1.506 312 H CA -0.001 56.126 56.048 0.131 0.000 1.324 312 H CB 1.639 31.449 29.762 0.080 0.000 1.925 312 H HN 0.387 nan 8.280 nan 0.000 0.661 313 T N 0.103 114.810 114.554 0.255 0.000 2.876 313 T HA 0.447 4.797 4.350 -0.000 0.000 0.289 313 T C -1.195 173.567 174.700 0.103 0.000 1.014 313 T CA -0.876 61.300 62.100 0.126 0.000 0.986 313 T CB 1.468 70.355 68.868 0.032 0.000 1.021 313 T HN 0.226 nan 8.240 nan 0.000 0.458 314 L N 3.967 125.242 121.223 0.087 0.000 2.275 314 L HA 0.620 4.960 4.340 -0.000 0.000 0.288 314 L C -1.068 175.795 176.870 -0.012 0.000 1.046 314 L CA -0.834 53.974 54.840 -0.053 0.000 0.805 314 L CB 0.108 42.130 42.059 -0.061 0.000 1.193 314 L HN 0.788 nan 8.230 nan 0.000 0.426 315 Y N 3.502 123.780 120.300 -0.037 0.000 2.446 315 Y HA 0.864 5.414 4.550 -0.000 0.000 0.345 315 Y C -0.784 175.141 175.900 0.042 0.000 0.984 315 Y CA -2.316 55.775 58.100 -0.015 0.000 1.058 315 Y CB 1.151 39.616 38.460 0.008 0.000 1.220 315 Y HN 0.697 nan 8.280 nan 0.000 0.455 316 A N 2.801 125.834 122.820 0.355 0.000 2.328 316 A HA 0.527 4.847 4.320 -0.000 0.000 0.318 316 A C -0.568 177.074 177.584 0.097 0.000 1.347 316 A CA -0.663 51.561 52.037 0.312 0.000 0.842 316 A CB -0.057 19.089 19.000 0.244 0.000 1.148 316 A HN 0.724 nan 8.150 nan 0.000 0.499 317 S N 1.458 117.193 115.700 0.058 0.000 2.414 317 S HA 0.296 4.766 4.470 -0.000 0.000 0.290 317 S C -0.159 174.378 174.600 -0.105 0.000 1.160 317 S CA 0.028 58.192 58.200 -0.060 0.000 1.069 317 S CB 0.056 63.232 63.200 -0.040 0.000 1.012 317 S HN 0.724 nan 8.310 nan 0.000 0.510 318 V N 5.792 125.651 119.914 -0.092 0.000 2.417 318 V HA 0.562 4.682 4.120 -0.000 0.000 0.291 318 V C -0.266 175.786 176.094 -0.070 0.000 1.024 318 V CA -0.180 62.056 62.300 -0.107 0.000 0.861 318 V CB 2.048 33.809 31.823 -0.102 0.000 0.985 318 V HN 0.820 nan 8.190 nan 0.000 0.436 319 T N 5.734 120.254 114.554 -0.058 0.000 2.812 319 T HA 0.577 4.926 4.350 -0.000 0.000 0.282 319 T C -0.847 173.804 174.700 -0.083 0.000 0.990 319 T CA -0.299 61.783 62.100 -0.029 0.000 0.960 319 T CB 1.624 70.541 68.868 0.082 0.000 0.948 319 T HN 0.518 nan 8.240 nan 0.000 0.438 320 V N 4.333 124.217 119.914 -0.051 0.000 2.864 320 V HA 0.824 4.944 4.120 -0.000 0.000 0.314 320 V C -1.114 175.001 176.094 0.034 0.000 1.073 320 V CA -1.088 61.191 62.300 -0.036 0.000 0.956 320 V CB 2.096 33.953 31.823 0.058 0.000 1.023 320 V HN 0.955 nan 8.190 nan 0.000 0.435 321 M N 4.342 123.909 119.600 -0.054 0.000 2.224 321 M HA 0.384 4.864 4.480 -0.000 0.000 0.281 321 M C -0.399 175.841 176.300 -0.100 0.000 1.025 321 M CA -0.227 55.047 55.300 -0.042 0.000 0.954 321 M CB 1.938 34.486 32.600 -0.086 0.000 1.639 321 M HN 0.792 nan 8.290 nan 0.000 0.461 322 T N 1.676 116.128 114.554 -0.169 0.000 2.937 322 T HA 0.022 4.372 4.350 -0.000 0.000 0.316 322 T C 1.156 175.831 174.700 -0.042 0.000 1.079 322 T CA 0.697 62.661 62.100 -0.226 0.000 1.131 322 T CB 0.644 69.370 68.868 -0.237 0.000 1.000 322 T HN 0.868 nan 8.240 nan 0.000 0.549 323 E N 2.522 122.719 120.200 -0.005 0.000 2.204 323 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 323 E C 1.939 178.598 176.600 0.100 0.000 0.990 323 E CA 1.594 58.047 56.400 0.087 0.000 0.821 323 E CB -0.479 29.276 29.700 0.091 0.000 0.750 323 E HN 0.588 nan 8.360 nan 0.000 0.477 324 S N -0.510 115.231 115.700 0.068 0.000 2.603 324 S HA 0.129 4.599 4.470 -0.000 0.000 0.229 324 S C 1.867 176.509 174.600 0.071 0.000 0.972 324 S CA 0.389 58.629 58.200 0.066 0.000 0.935 324 S CB -0.619 62.618 63.200 0.062 0.000 0.769 324 S HN 0.769 nan 8.310 nan 0.000 0.536 325 G N 0.990 109.839 108.800 0.080 0.000 2.212 325 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.266 325 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.266 325 G C 1.121 176.080 174.900 0.099 0.000 0.978 325 G CA 1.126 46.283 45.100 0.095 0.000 0.632 325 G HN 1.183 nan 8.290 nan 0.000 0.537 326 S N -0.279 115.468 115.700 0.078 0.000 2.374 326 S HA 0.148 4.618 4.470 -0.000 0.000 0.207 326 S C 0.771 175.416 174.600 0.074 0.000 1.042 326 S CA 1.509 59.755 58.200 0.077 0.000 1.034 326 S CB 0.049 63.298 63.200 0.081 0.000 1.018 326 S HN 0.359 nan 8.310 nan 0.000 0.419 327 D N 0.811 121.251 120.400 0.067 0.000 2.326 327 D HA 0.588 5.228 4.640 -0.000 0.000 0.248 327 D C -0.430 175.955 176.300 0.141 0.000 1.001 327 D CA -0.382 53.678 54.000 0.101 0.000 0.961 327 D CB 1.663 42.547 40.800 0.140 0.000 1.183 327 D HN 0.542 nan 8.370 nan 0.000 0.502 328 M N 1.414 121.123 119.600 0.181 0.000 2.373 328 M HA 0.353 4.833 4.480 -0.000 0.000 0.290 328 M C -2.102 174.243 176.300 0.075 0.000 1.143 328 M CA -0.730 54.677 55.300 0.179 0.000 0.949 328 M CB 1.326 33.963 32.600 0.061 0.000 1.756 328 M HN 0.192 nan 8.290 nan 0.000 0.494 329 V N 2.557 122.472 119.914 0.003 0.000 2.919 329 V HA 0.989 5.109 4.120 -0.000 0.000 0.316 329 V C -1.003 175.026 176.094 -0.109 0.000 1.077 329 V CA -0.423 61.771 62.300 -0.177 0.000 0.977 329 V CB 1.709 33.224 31.823 -0.513 0.000 1.039 329 V HN 0.999 nan 8.190 nan 0.000 0.441 330 V N 0.629 120.484 119.914 -0.098 0.000 2.760 330 V HA 1.013 5.133 4.120 -0.000 0.000 0.309 330 V C -0.193 175.849 176.094 -0.087 0.000 1.077 330 V CA 0.426 62.685 62.300 -0.068 0.000 0.910 330 V CB 0.940 32.745 31.823 -0.031 0.000 1.008 330 V HN 1.506 nan 8.190 nan 0.000 0.424 331 T N 0.324 114.824 114.554 -0.090 0.000 2.626 331 T HA 0.772 5.122 4.350 -0.000 0.000 0.299 331 T C -1.021 173.627 174.700 -0.087 0.000 1.181 331 T CA -0.479 61.566 62.100 -0.092 0.000 1.053 331 T CB 2.199 71.003 68.868 -0.106 0.000 1.566 331 T HN 1.146 nan 8.240 nan 0.000 0.486 332 E N 0.358 120.509 120.200 -0.082 0.000 2.307 332 E HA 0.333 4.683 4.350 -0.000 0.000 0.280 332 E C -1.467 175.108 176.600 -0.043 0.000 0.900 332 E CA -0.569 55.787 56.400 -0.073 0.000 0.790 332 E CB 1.884 31.511 29.700 -0.122 0.000 1.261 332 E HN 0.507 nan 8.360 nan 0.000 0.405 333 Q N 2.780 122.569 119.800 -0.017 0.000 2.301 333 Q HA 0.148 4.488 4.340 -0.000 0.000 0.262 333 Q C -0.968 175.052 176.000 0.034 0.000 1.168 333 Q CA 0.219 56.022 55.803 0.000 0.000 0.908 333 Q CB 0.277 29.009 28.738 -0.011 0.000 1.348 333 Q HN 0.476 nan 8.270 nan 0.000 0.441 334 S N 1.707 117.422 115.700 0.026 0.000 2.681 334 S HA 0.772 5.242 4.470 -0.000 0.000 0.299 334 S C 0.742 175.369 174.600 0.045 0.000 1.113 334 S CA -0.296 57.934 58.200 0.050 0.000 1.013 334 S CB 1.568 64.778 63.200 0.017 0.000 1.076 334 S HN 1.209 nan 8.310 nan 0.000 0.534 335 G N 0.331 109.153 108.800 0.037 0.000 2.203 335 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.263 335 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.263 335 G C 0.005 174.887 174.900 -0.030 0.000 1.012 335 G CA 0.078 45.153 45.100 -0.042 0.000 0.749 335 G HN 0.688 nan 8.290 nan 0.000 0.512 336 I N 1.458 122.066 120.570 0.064 0.000 2.598 336 I HA 0.144 4.314 4.170 -0.000 0.000 0.284 336 I C 0.952 177.146 176.117 0.129 0.000 1.140 336 I CA -0.398 60.993 61.300 0.151 0.000 1.420 336 I CB 0.149 38.329 38.000 0.301 0.000 1.387 336 I HN 0.123 nan 8.210 nan 0.000 0.553 337 H N 6.808 125.987 119.070 0.183 0.000 2.487 337 H HA 0.442 4.998 4.556 -0.000 0.000 0.333 337 H C -0.095 175.360 175.328 0.212 0.000 1.114 337 H CA -0.400 55.751 56.048 0.173 0.000 1.310 337 H CB 1.684 31.523 29.762 0.129 0.000 1.462 337 H HN 0.428 nan 8.280 nan 0.000 0.516 338 I N 1.868 122.668 120.570 0.383 0.000 2.355 338 I HA 0.512 4.682 4.170 -0.000 0.000 0.288 338 I C 0.080 176.316 176.117 0.198 0.000 0.999 338 I CA -0.804 60.692 61.300 0.326 0.000 1.163 338 I CB 1.084 39.327 38.000 0.405 0.000 1.316 338 I HN 0.245 nan 8.210 nan 0.000 0.454 339 V N 2.474 122.450 119.914 0.103 0.000 3.121 339 V HA 0.767 4.887 4.120 -0.000 0.000 0.308 339 V C 0.484 176.579 176.094 0.002 0.000 1.492 339 V CA 0.013 62.330 62.300 0.029 0.000 1.034 339 V CB 1.316 33.130 31.823 -0.016 0.000 1.066 339 V HN 0.707 nan 8.190 nan 0.000 0.472 340 A N 0.555 123.352 122.820 -0.039 0.000 2.030 340 A HA 0.509 4.828 4.320 -0.000 0.000 0.215 340 A C 1.328 178.852 177.584 -0.101 0.000 1.164 340 A CA 1.119 53.104 52.037 -0.086 0.000 0.697 340 A CB -0.590 18.351 19.000 -0.098 0.000 0.827 340 A HN 1.966 nan 8.150 nan 0.000 0.457 341 S N -1.330 114.313 115.700 -0.095 0.000 2.532 341 S HA 0.583 5.053 4.470 -0.000 0.000 0.301 341 S C -2.400 172.041 174.600 -0.265 0.000 1.083 341 S CA -1.291 56.842 58.200 -0.112 0.000 1.025 341 S CB 1.949 65.104 63.200 -0.075 0.000 1.056 341 S HN -0.017 nan 8.310 nan 0.000 0.494 342 P HA 0.201 nan 4.420 nan 0.000 0.227 342 P C -0.735 176.217 177.300 -0.580 0.000 1.161 342 P CA 0.877 63.654 63.100 -0.537 0.000 0.788 342 P CB -0.077 31.481 31.700 -0.237 0.000 0.822 343 Y N -2.274 117.983 120.300 -0.072 0.000 2.876 343 Y HA 0.655 5.205 4.550 -0.000 0.000 0.317 343 Y C 0.185 176.004 175.900 -0.135 0.000 1.369 343 Y CA -0.927 57.120 58.100 -0.088 0.000 1.101 343 Y CB 0.946 39.341 38.460 -0.108 0.000 1.346 343 Y HN -0.445 nan 8.280 nan 0.000 0.505 344 Q N 1.900 121.707 119.800 0.012 0.000 2.295 344 Q HA 0.452 4.792 4.340 -0.000 0.000 0.268 344 Q C -1.486 174.310 176.000 -0.341 0.000 1.010 344 Q CA -0.489 55.196 55.803 -0.197 0.000 0.856 344 Q CB 2.991 31.578 28.738 -0.252 0.000 1.349 344 Q HN 0.695 nan 8.270 nan 0.000 0.412 345 I N -0.438 119.895 120.570 -0.395 0.000 2.493 345 I HA 0.657 4.827 4.170 -0.000 0.000 0.298 345 I C -0.774 175.097 176.117 -0.411 0.000 0.998 345 I CA -0.714 60.361 61.300 -0.375 0.000 1.137 345 I CB 1.965 39.790 38.000 -0.292 0.000 1.310 345 I HN 0.449 nan 8.210 nan 0.000 0.445 346 H N 4.688 123.685 119.070 -0.122 0.000 2.877 346 H HA 0.437 4.993 4.556 -0.000 0.000 0.347 346 H C -0.652 174.609 175.328 -0.112 0.000 1.042 346 H CA -0.690 55.356 56.048 -0.003 0.000 1.276 346 H CB 1.978 31.862 29.762 0.204 0.000 1.681 346 H HN 0.587 nan 8.280 nan 0.000 0.521 347 F N 1.168 121.229 119.950 0.184 0.000 2.123 347 F HA -0.091 4.436 4.527 -0.000 0.000 0.276 347 F C 1.804 177.627 175.800 0.037 0.000 1.198 347 F CA 1.283 59.340 58.000 0.095 0.000 1.102 347 F CB -0.617 38.414 39.000 0.052 0.000 1.023 347 F HN 0.598 nan 8.300 nan 0.000 0.506 348 T N 0.098 114.784 114.554 0.221 0.000 3.351 348 T HA -0.324 4.026 4.350 -0.000 0.000 0.394 348 T C 0.043 174.692 174.700 -0.085 0.000 0.769 348 T CA 1.511 63.618 62.100 0.012 0.000 2.018 348 T CB -1.586 67.257 68.868 -0.041 0.000 1.710 348 T HN 0.636 nan 8.240 nan 0.000 0.614 349 K N -0.918 119.470 120.400 -0.021 0.000 3.351 349 K HA 0.143 4.463 4.320 -0.000 0.000 0.110 349 K C -0.473 176.180 176.600 0.088 0.000 0.911 349 K CA 0.312 56.584 56.287 -0.026 0.000 0.974 349 K CB 0.318 32.792 32.500 -0.044 0.000 0.631 349 K HN 0.411 nan 8.250 nan 0.000 0.348 350 T N 1.121 115.732 114.554 0.095 0.000 3.395 350 T HA 0.351 4.701 4.350 -0.000 0.000 0.330 350 T C -3.028 171.754 174.700 0.136 0.000 1.076 350 T CA -1.399 60.786 62.100 0.141 0.000 1.070 350 T CB 1.275 70.276 68.868 0.222 0.000 1.119 350 T HN -0.221 nan 8.240 nan 0.000 0.462 351 P HA 0.262 nan 4.420 nan 0.000 0.266 351 P C -0.040 177.301 177.300 0.068 0.000 1.195 351 P CA -0.172 62.988 63.100 0.099 0.000 0.768 351 P CB 0.506 32.309 31.700 0.173 0.000 0.838 352 K N 1.033 121.310 120.400 -0.205 0.000 2.417 352 K HA 0.170 4.490 4.320 -0.000 0.000 0.196 352 K C -0.452 175.891 176.600 -0.429 0.000 1.023 352 K CA 0.309 56.373 56.287 -0.371 0.000 1.122 352 K CB -0.169 32.009 32.500 -0.537 0.000 0.850 352 K HN 0.429 nan 8.250 nan 0.000 0.521 353 Y N -0.387 119.941 120.300 0.047 0.000 2.536 353 Y HA 0.499 5.049 4.550 -0.000 0.000 0.347 353 Y C -0.323 175.629 175.900 0.087 0.000 1.000 353 Y CA -2.203 55.887 58.100 -0.017 0.000 1.051 353 Y CB 1.291 39.684 38.460 -0.112 0.000 1.259 353 Y HN -0.055 nan 8.280 nan 0.000 0.468 354 F N -1.143 118.857 119.950 0.083 0.000 2.631 354 F HA 0.821 5.348 4.527 -0.000 0.000 0.308 354 F C -1.794 173.964 175.800 -0.069 0.000 1.097 354 F CA -1.701 56.310 58.000 0.018 0.000 0.952 354 F CB 1.493 40.425 39.000 -0.115 0.000 1.307 354 F HN 0.134 nan 8.300 nan 0.000 0.450 355 K N 3.466 123.886 120.400 0.034 0.000 2.292 355 K HA 0.469 4.789 4.320 -0.000 0.000 0.270 355 K C -2.799 173.788 176.600 -0.022 0.000 1.062 355 K CA -2.020 54.071 56.287 -0.326 0.000 0.916 355 K CB 0.786 33.088 32.500 -0.330 0.000 1.166 355 K HN 0.287 nan 8.250 nan 0.000 0.458 356 P HA 0.017 nan 4.420 nan 0.000 0.265 356 P C 0.716 178.177 177.300 0.269 0.000 1.193 356 P CA 0.516 63.803 63.100 0.311 0.000 0.765 356 P CB 0.762 32.634 31.700 0.287 0.000 0.823 357 G N 0.938 109.874 108.800 0.227 0.000 2.162 357 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 357 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 357 G C 0.010 175.021 174.900 0.184 0.000 0.976 357 G CA 0.202 45.416 45.100 0.191 0.000 0.655 357 G HN 0.514 nan 8.290 nan 0.000 0.533 358 M N 0.373 120.083 119.600 0.183 0.000 2.644 358 M HA 0.625 5.105 4.480 -0.000 0.000 0.316 358 M C -2.471 173.915 176.300 0.143 0.000 1.200 358 M CA -2.302 53.095 55.300 0.161 0.000 0.944 358 M CB 1.867 34.545 32.600 0.131 0.000 1.691 358 M HN -0.134 nan 8.290 nan 0.000 0.471 359 P HA 0.082 nan 4.420 nan 0.000 0.276 359 P C -1.933 175.418 177.300 0.084 0.000 1.264 359 P CA 0.076 63.252 63.100 0.126 0.000 0.769 359 P CB -0.073 31.706 31.700 0.131 0.000 0.840 360 Y N 3.863 124.140 120.300 -0.039 0.000 2.327 360 Y HA 0.189 4.739 4.550 -0.000 0.000 0.336 360 Y C 0.400 176.276 175.900 -0.040 0.000 1.035 360 Y CA -0.650 57.401 58.100 -0.081 0.000 1.165 360 Y CB 0.932 39.325 38.460 -0.112 0.000 1.181 360 Y HN 0.381 nan 8.280 nan 0.000 0.494 361 E N 7.096 126.846 120.200 -0.751 0.000 2.046 361 E HA 0.275 4.625 4.350 -0.000 0.000 0.279 361 E C -1.397 174.733 176.600 -0.784 0.000 0.989 361 E CA -0.833 55.246 56.400 -0.535 0.000 0.798 361 E CB 1.303 30.880 29.700 -0.206 0.000 1.086 361 E HN 0.608 nan 8.360 nan 0.000 0.399 362 L N 3.225 124.198 121.223 -0.417 0.000 2.331 362 L HA 0.259 4.599 4.340 -0.000 0.000 0.278 362 L C -0.572 176.283 176.870 -0.025 0.000 1.106 362 L CA 0.393 55.186 54.840 -0.078 0.000 0.824 362 L CB 1.556 43.699 42.059 0.141 0.000 1.142 362 L HN 0.501 nan 8.230 nan 0.000 0.443 363 T N 5.434 120.015 114.554 0.046 0.000 2.912 363 T HA 0.445 4.795 4.350 -0.000 0.000 0.326 363 T C -0.655 174.089 174.700 0.073 0.000 1.080 363 T CA -0.435 61.698 62.100 0.054 0.000 1.000 363 T CB 0.586 69.497 68.868 0.072 0.000 1.008 363 T HN 0.513 nan 8.240 nan 0.000 0.473 364 V N 2.438 122.366 119.914 0.022 0.000 2.509 364 V HA 0.646 4.766 4.120 -0.000 0.000 0.284 364 V C -0.783 175.342 176.094 0.051 0.000 1.047 364 V CA -0.948 61.324 62.300 -0.046 0.000 0.952 364 V CB 0.778 32.528 31.823 -0.122 0.000 0.988 364 V HN 0.735 nan 8.190 nan 0.000 0.469 365 Y N 3.398 123.636 120.300 -0.102 0.000 2.331 365 Y HA 0.702 5.252 4.550 -0.000 0.000 0.334 365 Y C -0.569 175.298 175.900 -0.055 0.000 0.960 365 Y CA -0.918 57.165 58.100 -0.029 0.000 1.130 365 Y CB 2.039 40.529 38.460 0.050 0.000 1.164 365 Y HN 0.566 nan 8.280 nan 0.000 0.458 366 V N 6.314 125.995 119.914 -0.389 0.000 2.284 366 V HA 0.225 4.345 4.120 -0.000 0.000 0.274 366 V C -0.070 175.832 176.094 -0.320 0.000 1.023 366 V CA -0.628 61.490 62.300 -0.304 0.000 0.808 366 V CB 0.887 32.571 31.823 -0.233 0.000 1.035 366 V HN 0.894 nan 8.190 nan 0.000 0.445 367 T N 1.474 115.881 114.554 -0.245 0.000 2.918 367 T HA 0.275 4.625 4.350 -0.000 0.000 0.302 367 T C 0.135 174.820 174.700 -0.025 0.000 1.045 367 T CA -0.389 61.643 62.100 -0.113 0.000 1.114 367 T CB 0.497 69.410 68.868 0.074 0.000 0.965 367 T HN 0.555 nan 8.240 nan 0.000 0.540 368 N N 3.480 122.177 118.700 -0.004 0.000 2.525 368 N HA 0.216 4.956 4.740 -0.000 0.000 0.271 368 N C -1.584 173.929 175.510 0.005 0.000 1.194 368 N CA -1.778 51.267 53.050 -0.009 0.000 0.964 368 N CB 0.879 39.357 38.487 -0.014 0.000 1.126 368 N HN 0.410 nan 8.380 nan 0.000 0.452 369 P HA -0.313 nan 4.420 nan 0.000 0.222 369 P C 0.600 177.854 177.300 -0.078 0.000 1.157 369 P CA 1.479 64.523 63.100 -0.093 0.000 0.905 369 P CB 0.046 31.725 31.700 -0.036 0.000 0.792 370 D N -2.109 118.397 120.400 0.176 0.000 2.092 370 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 370 D C 1.771 178.178 176.300 0.180 0.000 0.994 370 D CA 2.332 56.514 54.000 0.302 0.000 0.828 370 D CB -1.024 39.925 40.800 0.249 0.000 0.963 370 D HN 0.371 nan 8.370 nan 0.000 0.450 371 G N -0.417 108.463 108.800 0.133 0.000 3.655 371 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.219 371 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.219 371 G C 0.311 175.290 174.900 0.131 0.000 0.933 371 G CA 0.374 45.562 45.100 0.146 0.000 0.856 371 G HN 0.676 nan 8.290 nan 0.000 0.523 372 S N 1.286 117.041 115.700 0.091 0.000 2.560 372 S HA 0.484 4.954 4.470 -0.000 0.000 0.276 372 S C -2.400 172.201 174.600 0.001 0.000 1.350 372 S CA -0.317 57.918 58.200 0.057 0.000 1.024 372 S CB 1.211 64.434 63.200 0.039 0.000 0.864 372 S HN 0.170 nan 8.310 nan 0.000 0.536 373 P HA 0.554 nan 4.420 nan 0.000 0.279 373 P C -1.222 176.012 177.300 -0.111 0.000 1.252 373 P CA -0.521 62.475 63.100 -0.173 0.000 0.811 373 P CB 0.901 32.510 31.700 -0.151 0.000 1.035 374 A N 1.196 123.939 122.820 -0.130 0.000 2.386 374 A HA 0.799 5.119 4.320 -0.000 0.000 0.311 374 A C -0.828 176.672 177.584 -0.140 0.000 1.068 374 A CA -0.629 51.374 52.037 -0.057 0.000 0.743 374 A CB 1.304 20.369 19.000 0.108 0.000 1.258 374 A HN 0.518 nan 8.150 nan 0.000 0.429 375 A N 0.388 123.096 122.820 -0.187 0.000 2.322 375 A HA 0.736 5.056 4.320 -0.000 0.000 0.327 375 A C 0.220 177.612 177.584 -0.320 0.000 1.134 375 A CA -0.108 51.691 52.037 -0.397 0.000 0.831 375 A CB -0.047 18.521 19.000 -0.720 0.000 1.288 375 A HN 1.671 nan 8.150 nan 0.000 0.472 376 H N -2.006 117.042 119.070 -0.035 0.000 3.010 376 H HA -0.164 4.392 4.556 -0.000 0.000 0.272 376 H C -0.226 175.081 175.328 -0.036 0.000 1.151 376 H CA 0.321 56.358 56.048 -0.018 0.000 1.159 376 H CB -2.120 27.650 29.762 0.012 0.000 1.295 376 H HN 0.348 nan 8.280 nan 0.000 0.344 377 V N 1.444 121.315 119.914 -0.072 0.000 2.397 377 V HA 0.175 4.295 4.120 -0.000 0.000 0.262 377 V C -1.770 174.243 176.094 -0.135 0.000 1.047 377 V CA -1.336 60.830 62.300 -0.224 0.000 1.003 377 V CB 0.497 32.021 31.823 -0.497 0.000 1.037 377 V HN -0.002 nan 8.190 nan 0.000 0.480 378 P HA 0.391 nan 4.420 nan 0.000 0.275 378 P C -0.587 176.672 177.300 -0.070 0.000 1.228 378 P CA -0.082 62.999 63.100 -0.031 0.000 0.786 378 P CB 1.183 32.892 31.700 0.015 0.000 0.927 379 V N 0.566 120.446 119.914 -0.056 0.000 3.102 379 V HA 0.893 5.013 4.120 -0.000 0.000 0.312 379 V C -0.177 175.904 176.094 -0.021 0.000 1.135 379 V CA -1.144 61.121 62.300 -0.058 0.000 1.022 379 V CB 1.969 33.742 31.823 -0.083 0.000 1.056 379 V HN 0.452 nan 8.190 nan 0.000 0.436 380 V N -1.804 118.104 119.914 -0.009 0.000 3.147 380 V HA 0.925 5.045 4.120 -0.000 0.000 0.306 380 V C -0.551 175.563 176.094 0.033 0.000 1.209 380 V CA -0.442 61.872 62.300 0.022 0.000 1.023 380 V CB 1.589 33.435 31.823 0.038 0.000 1.059 380 V HN 1.260 nan 8.190 nan 0.000 0.435 381 S N 0.339 116.074 115.700 0.058 0.000 2.733 381 S HA 0.509 4.979 4.470 -0.000 0.000 0.294 381 S C 0.309 174.980 174.600 0.118 0.000 1.149 381 S CA -0.345 57.904 58.200 0.082 0.000 1.034 381 S CB 1.781 65.025 63.200 0.073 0.000 1.015 381 S HN 0.942 nan 8.310 nan 0.000 0.486 382 E N 3.391 123.639 120.200 0.080 0.000 2.208 382 E HA 0.112 4.462 4.350 -0.000 0.000 0.193 382 E C 2.008 178.537 176.600 -0.118 0.000 0.988 382 E CA 1.051 57.457 56.400 0.010 0.000 0.828 382 E CB -0.267 29.445 29.700 0.020 0.000 0.763 382 E HN 0.677 nan 8.360 nan 0.000 0.478 383 A N 0.005 122.849 122.820 0.039 0.000 2.148 383 A HA -0.152 4.168 4.320 -0.000 0.000 0.222 383 A C 1.257 178.813 177.584 -0.046 0.000 1.161 383 A CA 1.295 53.365 52.037 0.055 0.000 0.662 383 A CB -0.519 18.649 19.000 0.281 0.000 0.799 383 A HN 0.368 nan 8.150 nan 0.000 0.466 384 F N -3.873 115.992 119.950 -0.143 0.000 2.899 384 F HA 0.228 4.755 4.527 -0.000 0.000 0.337 384 F C 0.496 176.292 175.800 -0.007 0.000 1.129 384 F CA -0.368 57.584 58.000 -0.081 0.000 1.128 384 F CB 0.064 39.054 39.000 -0.016 0.000 1.154 384 F HN 0.332 nan 8.300 nan 0.000 0.531 385 H N 0.272 119.435 119.070 0.155 0.000 2.594 385 H HA -0.203 4.353 4.556 -0.000 0.000 0.316 385 H C 0.185 175.576 175.328 0.105 0.000 1.107 385 H CA 0.557 56.662 56.048 0.096 0.000 1.133 385 H CB -1.051 28.745 29.762 0.056 0.000 1.459 385 H HN 0.124 nan 8.280 nan 0.000 0.411 386 S N 0.646 116.475 115.700 0.215 0.000 2.473 386 S HA 0.707 5.177 4.470 -0.000 0.000 0.307 386 S C -0.060 174.592 174.600 0.086 0.000 1.094 386 S CA -0.877 57.409 58.200 0.143 0.000 1.070 386 S CB 0.749 64.030 63.200 0.134 0.000 1.019 386 S HN 0.391 nan 8.310 nan 0.000 0.480 387 M N 2.847 122.485 119.600 0.063 0.000 2.631 387 M HA 0.956 5.436 4.480 -0.000 0.000 0.288 387 M C -0.062 176.252 176.300 0.022 0.000 1.260 387 M CA -0.964 54.359 55.300 0.038 0.000 0.842 387 M CB 1.741 34.365 32.600 0.039 0.000 1.743 387 M HN 0.664 nan 8.290 nan 0.000 0.461 388 G N 0.062 108.868 108.800 0.009 0.000 2.619 388 G HA2 0.763 4.723 3.960 -0.000 0.000 0.305 388 G HA3 0.763 4.723 3.960 -0.000 0.000 0.305 388 G C -1.898 173.001 174.900 -0.003 0.000 1.330 388 G CA -0.669 44.433 45.100 0.004 0.000 0.789 388 G HN 0.813 nan 8.290 nan 0.000 0.487 389 T N 0.805 115.358 114.554 -0.001 0.000 3.071 389 T HA 0.552 4.902 4.350 -0.000 0.000 0.311 389 T C 0.117 174.810 174.700 -0.011 0.000 1.042 389 T CA -0.421 61.681 62.100 0.002 0.000 1.028 389 T CB 1.150 70.043 68.868 0.043 0.000 1.068 389 T HN 0.903 nan 8.240 nan 0.000 0.451 390 T N 2.399 116.919 114.554 -0.057 0.000 2.791 390 T HA 0.498 4.848 4.350 -0.000 0.000 0.323 390 T C 0.465 175.108 174.700 -0.094 0.000 1.082 390 T CA -0.522 61.524 62.100 -0.090 0.000 1.084 390 T CB 0.571 69.346 68.868 -0.156 0.000 0.992 390 T HN 0.444 nan 8.240 nan 0.000 0.547 391 L N -0.491 120.664 121.223 -0.113 0.000 2.305 391 L HA 0.341 4.681 4.340 -0.000 0.000 0.261 391 L C 1.873 178.621 176.870 -0.205 0.000 1.100 391 L CA -0.971 53.792 54.840 -0.129 0.000 1.073 391 L CB 0.904 42.946 42.059 -0.030 0.000 1.656 391 L HN 0.700 nan 8.230 nan 0.000 0.536 392 S N 0.194 115.819 115.700 -0.125 0.000 2.488 392 S HA -0.156 4.314 4.470 -0.000 0.000 0.246 392 S C 0.641 175.190 174.600 -0.084 0.000 0.992 392 S CA 1.504 59.642 58.200 -0.103 0.000 0.963 392 S CB -0.476 62.708 63.200 -0.027 0.000 0.754 392 S HN 0.748 nan 8.310 nan 0.000 0.519 393 D N -1.385 118.972 120.400 -0.071 0.000 2.514 393 D HA 0.195 4.835 4.640 -0.000 0.000 0.225 393 D C 0.944 177.217 176.300 -0.045 0.000 1.159 393 D CA 0.712 54.698 54.000 -0.022 0.000 0.823 393 D CB -0.052 40.764 40.800 0.027 0.000 1.097 393 D HN 0.342 nan 8.370 nan 0.000 0.519 394 G N 0.965 109.690 108.800 -0.124 0.000 2.167 394 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.194 394 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.194 394 G C 0.116 174.916 174.900 -0.167 0.000 1.027 394 G CA 0.218 45.169 45.100 -0.249 0.000 0.717 394 G HN 0.841 nan 8.290 nan 0.000 0.501 395 T N -2.852 111.688 114.554 -0.024 0.000 2.903 395 T HA 0.968 5.318 4.350 -0.000 0.000 0.299 395 T C -0.437 174.268 174.700 0.008 0.000 1.093 395 T CA 0.215 62.351 62.100 0.060 0.000 1.002 395 T CB 2.526 71.491 68.868 0.160 0.000 1.127 395 T HN 1.945 nan 8.240 nan 0.000 0.488 396 A N 1.940 124.765 122.820 0.009 0.000 2.455 396 A HA 0.749 5.069 4.320 -0.000 0.000 0.300 396 A C -0.686 176.901 177.584 0.004 0.000 1.040 396 A CA -0.995 51.041 52.037 -0.002 0.000 0.697 396 A CB 1.505 20.492 19.000 -0.021 0.000 1.265 396 A HN 0.835 nan 8.150 nan 0.000 0.407 397 K N 2.178 122.580 120.400 0.003 0.000 2.268 397 K HA 0.462 4.782 4.320 -0.000 0.000 0.276 397 K C -1.073 175.520 176.600 -0.011 0.000 1.080 397 K CA -0.031 56.253 56.287 -0.006 0.000 0.910 397 K CB 0.683 33.180 32.500 -0.006 0.000 1.163 397 K HN 0.651 nan 8.250 nan 0.000 0.465 398 L N 5.359 126.571 121.223 -0.018 0.000 2.289 398 L HA 0.396 4.736 4.340 -0.000 0.000 0.285 398 L C -0.403 176.448 176.870 -0.032 0.000 1.049 398 L CA -0.809 54.021 54.840 -0.016 0.000 0.804 398 L CB 0.922 42.971 42.059 -0.017 0.000 1.195 398 L HN 0.490 nan 8.230 nan 0.000 0.428 399 I N 4.702 125.265 120.570 -0.011 0.000 2.428 399 I HA 0.325 4.495 4.170 -0.000 0.000 0.296 399 I C -0.285 175.842 176.117 0.016 0.000 0.985 399 I CA -0.606 60.690 61.300 -0.006 0.000 1.260 399 I CB 1.750 39.765 38.000 0.024 0.000 1.389 399 I HN 0.327 nan 8.210 nan 0.000 0.484 400 L N 6.203 127.443 121.223 0.028 0.000 2.362 400 L HA 0.426 4.766 4.340 -0.000 0.000 0.275 400 L C -0.105 176.871 176.870 0.178 0.000 0.998 400 L CA -0.600 54.275 54.840 0.058 0.000 0.820 400 L CB 1.465 43.424 42.059 -0.166 0.000 1.270 400 L HN 0.448 nan 8.230 nan 0.000 0.415 401 N N 4.889 123.753 118.700 0.273 0.000 2.426 401 N HA 0.413 5.153 4.740 -0.000 0.000 0.257 401 N C -0.875 174.753 175.510 0.197 0.000 1.002 401 N CA -0.452 52.717 53.050 0.199 0.000 0.942 401 N CB 1.951 40.528 38.487 0.151 0.000 1.112 401 N HN 0.300 nan 8.380 nan 0.000 0.499 402 I N 2.929 123.583 120.570 0.139 0.000 2.355 402 I HA 0.375 4.545 4.170 -0.000 0.000 0.288 402 I C -2.127 174.042 176.117 0.088 0.000 0.999 402 I CA -2.784 58.568 61.300 0.087 0.000 1.163 402 I CB 0.519 38.511 38.000 -0.014 0.000 1.316 402 I HN 0.071 nan 8.210 nan 0.000 0.454 403 P HA -0.067 nan 4.420 nan 0.000 0.267 403 P C 1.043 178.405 177.300 0.102 0.000 1.175 403 P CA 0.207 63.341 63.100 0.057 0.000 0.763 403 P CB 0.975 32.687 31.700 0.019 0.000 0.795 404 L N 2.725 124.008 121.223 0.100 0.000 2.313 404 L HA -0.086 4.254 4.340 -0.000 0.000 0.214 404 L C 1.493 178.439 176.870 0.127 0.000 1.119 404 L CA 1.206 56.123 54.840 0.128 0.000 0.809 404 L CB -0.342 41.780 42.059 0.105 0.000 0.933 404 L HN 0.345 nan 8.230 nan 0.000 0.449 405 N N 0.224 118.982 118.700 0.096 0.000 2.336 405 N HA 0.092 4.832 4.740 -0.000 0.000 0.189 405 N C 0.554 176.129 175.510 0.108 0.000 1.113 405 N CA 0.499 53.601 53.050 0.087 0.000 0.858 405 N CB -0.560 37.960 38.487 0.055 0.000 0.970 405 N HN 0.201 nan 8.380 nan 0.000 0.471 406 A N 0.045 122.953 122.820 0.146 0.000 2.520 406 A HA 0.161 4.481 4.320 -0.000 0.000 0.235 406 A C 0.860 178.599 177.584 0.258 0.000 1.065 406 A CA 0.227 52.383 52.037 0.198 0.000 0.764 406 A CB 0.473 19.610 19.000 0.229 0.000 1.002 406 A HN 0.256 nan 8.150 nan 0.000 0.502 407 Q N 0.125 120.082 119.800 0.261 0.000 2.536 407 Q HA 0.159 4.499 4.340 -0.000 0.000 0.212 407 Q C 0.304 176.469 176.000 0.274 0.000 0.743 407 Q CA 0.526 56.448 55.803 0.199 0.000 0.929 407 Q CB 0.028 28.824 28.738 0.097 0.000 1.313 407 Q HN 0.725 nan 8.270 nan 0.000 0.524 408 S N 1.542 117.372 115.700 0.217 0.000 2.584 408 S HA 0.426 4.896 4.470 -0.000 0.000 0.273 408 S C -0.329 174.372 174.600 0.168 0.000 1.311 408 S CA -0.294 58.015 58.200 0.182 0.000 1.034 408 S CB 0.847 64.096 63.200 0.082 0.000 0.939 408 S HN 0.191 nan 8.310 nan 0.000 0.513 409 L N 4.625 125.901 121.223 0.087 0.000 2.490 409 L HA 0.468 4.808 4.340 -0.000 0.000 0.256 409 L C -2.954 173.848 176.870 -0.114 0.000 1.089 409 L CA -2.254 52.505 54.840 -0.135 0.000 0.916 409 L CB 0.849 42.571 42.059 -0.562 0.000 1.188 409 L HN 0.280 nan 8.230 nan 0.000 0.476 410 P HA 0.389 nan 4.420 nan 0.000 0.281 410 P C -0.817 176.482 177.300 -0.003 0.000 1.286 410 P CA 0.134 63.209 63.100 -0.040 0.000 0.772 410 P CB 0.508 32.202 31.700 -0.012 0.000 0.862 411 I N -0.251 120.284 120.570 -0.059 0.000 2.466 411 I HA 0.576 4.746 4.170 -0.000 0.000 0.289 411 I C -0.806 175.332 176.117 0.034 0.000 1.026 411 I CA -0.611 60.682 61.300 -0.012 0.000 1.078 411 I CB 2.412 40.349 38.000 -0.105 0.000 1.249 411 I HN 0.006 nan 8.210 nan 0.000 0.429 412 T N 5.525 120.135 114.554 0.093 0.000 2.797 412 T HA 0.609 4.959 4.350 -0.000 0.000 0.279 412 T C -0.218 174.568 174.700 0.144 0.000 0.991 412 T CA -0.464 61.710 62.100 0.124 0.000 0.979 412 T CB 1.950 70.865 68.868 0.078 0.000 0.943 412 T HN 0.442 nan 8.240 nan 0.000 0.444 413 V N 3.904 123.928 119.914 0.184 0.000 2.555 413 V HA 0.635 4.755 4.120 -0.000 0.000 0.302 413 V C 0.095 176.201 176.094 0.020 0.000 1.038 413 V CA -1.026 61.322 62.300 0.080 0.000 0.887 413 V CB 1.865 33.697 31.823 0.015 0.000 0.991 413 V HN 0.690 nan 8.190 nan 0.000 0.434 414 R N 1.521 122.021 120.500 0.001 0.000 2.803 414 R HA 0.606 4.946 4.340 -0.000 0.000 0.276 414 R C -0.413 175.865 176.300 -0.038 0.000 0.978 414 R CA -0.498 55.595 56.100 -0.011 0.000 0.939 414 R CB 2.369 32.674 30.300 0.008 0.000 1.179 414 R HN 0.888 nan 8.270 nan 0.000 0.472 415 T N -0.024 114.501 114.554 -0.048 0.000 2.891 415 T HA 0.229 4.579 4.350 -0.000 0.000 0.315 415 T C -0.026 174.647 174.700 -0.046 0.000 1.054 415 T CA -0.629 61.418 62.100 -0.088 0.000 0.958 415 T CB -0.175 68.627 68.868 -0.110 0.000 1.008 415 T HN 0.449 nan 8.240 nan 0.000 0.521 416 N N 2.443 121.125 118.700 -0.029 0.000 2.439 416 N HA 0.311 5.051 4.740 -0.000 0.000 0.249 416 N C -1.025 174.521 175.510 0.060 0.000 1.003 416 N CA -0.615 52.444 53.050 0.015 0.000 0.942 416 N CB 0.409 38.903 38.487 0.010 0.000 1.115 416 N HN 0.786 nan 8.380 nan 0.000 0.505 417 H N 2.199 121.248 119.070 -0.035 0.000 2.808 417 H HA 0.268 4.824 4.556 -0.000 0.000 0.268 417 H C 1.193 176.533 175.328 0.021 0.000 1.306 417 H CA -0.361 55.676 56.048 -0.019 0.000 1.565 417 H CB 0.327 30.072 29.762 -0.028 0.000 1.632 417 H HN 0.680 nan 8.280 nan 0.000 0.525 418 G N 2.764 111.443 108.800 -0.201 0.000 3.074 418 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.225 418 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.225 418 G C 0.991 175.811 174.900 -0.134 0.000 1.063 418 G CA 1.499 46.509 45.100 -0.150 0.000 0.702 418 G HN 0.593 nan 8.290 nan 0.000 0.653 419 D N 0.045 120.313 120.400 -0.220 0.000 2.144 419 D HA 0.059 4.699 4.640 -0.000 0.000 0.207 419 D C 1.689 178.053 176.300 0.106 0.000 0.970 419 D CA 0.165 54.148 54.000 -0.029 0.000 0.853 419 D CB -0.215 40.603 40.800 0.030 0.000 1.007 419 D HN 0.296 nan 8.370 nan 0.000 0.469 420 L N 1.879 123.235 121.223 0.220 0.000 2.476 420 L HA 0.207 4.547 4.340 -0.000 0.000 0.264 420 L C -1.945 174.977 176.870 0.086 0.000 1.224 420 L CA -1.332 53.620 54.840 0.187 0.000 0.821 420 L CB -0.290 41.917 42.059 0.246 0.000 1.101 420 L HN -0.032 nan 8.230 nan 0.000 0.488 421 P HA 0.248 nan 4.420 nan 0.000 0.287 421 P C -0.267 177.030 177.300 -0.006 0.000 1.270 421 P CA -0.834 62.268 63.100 0.003 0.000 0.844 421 P CB 1.120 32.804 31.700 -0.026 0.000 1.068 422 R N 3.028 123.523 120.500 -0.008 0.000 2.115 422 R HA -0.199 4.141 4.340 -0.000 0.000 0.239 422 R C 1.412 177.698 176.300 -0.024 0.000 1.133 422 R CA 1.926 58.022 56.100 -0.007 0.000 0.935 422 R CB -2.087 28.209 30.300 -0.006 0.000 0.853 422 R HN 0.557 nan 8.270 nan 0.000 0.433 423 E N 1.157 121.331 120.200 -0.044 0.000 2.331 423 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 423 E C 1.753 178.297 176.600 -0.092 0.000 1.008 423 E CA 0.757 57.119 56.400 -0.063 0.000 0.843 423 E CB -0.229 29.428 29.700 -0.072 0.000 0.761 423 E HN 0.232 nan 8.360 nan 0.000 0.507 424 R N 1.062 121.497 120.500 -0.107 0.000 2.070 424 R HA 0.030 4.370 4.340 -0.000 0.000 0.227 424 R C 1.135 177.402 176.300 -0.055 0.000 1.147 424 R CA 0.703 56.718 56.100 -0.141 0.000 0.924 424 R CB -0.816 29.397 30.300 -0.144 0.000 0.827 424 R HN 0.415 nan 8.270 nan 0.000 0.431 425 Q N 0.340 120.143 119.800 0.005 0.000 2.352 425 Q HA 0.047 4.387 4.340 -0.000 0.000 0.326 425 Q C -0.183 175.825 176.000 0.013 0.000 1.135 425 Q CA 0.204 56.034 55.803 0.046 0.000 1.000 425 Q CB 0.176 28.942 28.738 0.046 0.000 1.237 425 Q HN 0.294 nan 8.270 nan 0.000 0.409 426 A N 1.769 124.602 122.820 0.022 0.000 2.286 426 A HA 0.563 4.883 4.320 -0.000 0.000 0.286 426 A C -0.058 177.515 177.584 -0.019 0.000 1.097 426 A CA -0.143 51.889 52.037 -0.008 0.000 0.821 426 A CB 1.584 20.576 19.000 -0.013 0.000 1.076 426 A HN 0.618 nan 8.150 nan 0.000 0.490 427 T N 0.088 114.634 114.554 -0.014 0.000 2.952 427 T HA 0.598 4.948 4.350 -0.000 0.000 0.305 427 T C -1.086 173.634 174.700 0.034 0.000 1.064 427 T CA -0.631 61.473 62.100 0.007 0.000 1.008 427 T CB 0.846 69.722 68.868 0.014 0.000 1.078 427 T HN 0.826 nan 8.240 nan 0.000 0.459 428 K N 2.468 122.919 120.400 0.085 0.000 2.527 428 K HA 0.699 5.019 4.320 -0.000 0.000 0.260 428 K C -1.405 175.400 176.600 0.341 0.000 0.937 428 K CA -0.659 55.748 56.287 0.199 0.000 0.826 428 K CB 2.209 34.850 32.500 0.235 0.000 1.359 428 K HN 0.605 nan 8.250 nan 0.000 0.434 429 S N 2.843 118.683 115.700 0.232 0.000 2.513 429 S HA 0.701 5.171 4.470 -0.000 0.000 0.299 429 S C -0.992 173.514 174.600 -0.157 0.000 1.087 429 S CA -0.871 57.377 58.200 0.080 0.000 1.012 429 S CB 1.214 64.432 63.200 0.030 0.000 1.044 429 S HN 0.637 nan 8.310 nan 0.000 0.485 430 M N 0.624 119.993 119.600 -0.385 0.000 2.569 430 M HA 0.777 5.257 4.480 -0.000 0.000 0.279 430 M C -1.308 174.788 176.300 -0.341 0.000 1.253 430 M CA -0.681 54.306 55.300 -0.521 0.000 0.867 430 M CB 2.195 34.117 32.600 -1.131 0.000 1.727 430 M HN 0.502 nan 8.290 nan 0.000 0.467 431 T N -0.215 114.187 114.554 -0.254 0.000 2.886 431 T HA 0.929 5.279 4.350 -0.000 0.000 0.292 431 T C -0.854 173.759 174.700 -0.144 0.000 1.012 431 T CA -0.533 61.468 62.100 -0.165 0.000 0.982 431 T CB 1.684 70.498 68.868 -0.090 0.000 1.018 431 T HN 1.116 nan 8.240 nan 0.000 0.451 432 A N 3.713 126.471 122.820 -0.103 0.000 2.365 432 A HA 0.799 5.119 4.320 -0.000 0.000 0.318 432 A C -0.088 177.618 177.584 0.203 0.000 1.091 432 A CA -1.087 50.931 52.037 -0.032 0.000 0.763 432 A CB 0.831 19.760 19.000 -0.119 0.000 1.248 432 A HN 0.899 nan 8.150 nan 0.000 0.442 433 I N 1.606 122.279 120.570 0.171 0.000 2.612 433 I HA 0.403 4.573 4.170 -0.000 0.000 0.295 433 I C 1.064 177.070 176.117 -0.185 0.000 1.011 433 I CA -0.237 61.147 61.300 0.140 0.000 1.326 433 I CB 1.380 39.496 38.000 0.194 0.000 1.427 433 I HN 0.767 nan 8.210 nan 0.000 0.537 434 A N 4.843 127.305 122.820 -0.597 0.000 2.366 434 A HA 0.170 4.490 4.320 -0.000 0.000 0.249 434 A C -0.175 177.179 177.584 -0.384 0.000 1.084 434 A CA -0.110 51.298 52.037 -1.048 0.000 0.794 434 A CB 0.120 18.581 19.000 -0.899 0.000 1.034 434 A HN 0.571 nan 8.150 nan 0.000 0.491 435 Y N 0.220 120.219 120.300 -0.502 0.000 2.452 435 Y HA 0.055 4.605 4.550 -0.000 0.000 0.355 435 Y C 0.417 176.215 175.900 -0.170 0.000 1.266 435 Y CA 0.463 58.380 58.100 -0.306 0.000 1.514 435 Y CB 0.412 38.691 38.460 -0.303 0.000 1.363 435 Y HN 0.581 nan 8.280 nan 0.000 0.677 436 Q N 2.137 122.236 119.800 0.499 0.000 3.122 436 Q HA 0.188 4.528 4.340 -0.000 0.000 0.282 436 Q C -0.606 175.369 176.000 -0.042 0.000 0.947 436 Q CA -0.336 55.538 55.803 0.117 0.000 0.812 436 Q CB 0.118 28.894 28.738 0.065 0.000 1.333 436 Q HN 0.780 nan 8.270 nan 0.000 0.430 437 T N -0.844 113.576 114.554 -0.223 0.000 2.872 437 T HA -0.139 4.211 4.350 -0.000 0.000 0.292 437 T C 0.613 175.224 174.700 -0.148 0.000 1.036 437 T CA 0.117 62.034 62.100 -0.305 0.000 1.136 437 T CB 0.726 69.409 68.868 -0.308 0.000 1.052 437 T HN 0.442 nan 8.240 nan 0.000 0.512 438 Q N 1.745 121.476 119.800 -0.115 0.000 2.269 438 Q HA 0.201 4.541 4.340 -0.000 0.000 0.300 438 Q C 1.320 177.267 176.000 -0.088 0.000 1.070 438 Q CA 0.669 56.427 55.803 -0.075 0.000 0.957 438 Q CB -0.498 28.198 28.738 -0.071 0.000 1.131 438 Q HN 1.211 nan 8.270 nan 0.000 0.377 439 G N 3.664 112.422 108.800 -0.070 0.000 2.441 439 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.298 439 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.298 439 G C 0.813 175.663 174.900 -0.082 0.000 0.949 439 G CA 0.672 45.731 45.100 -0.068 0.000 1.072 439 G HN 1.721 nan 8.290 nan 0.000 0.512 440 G N -0.814 107.934 108.800 -0.087 0.000 2.244 440 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.274 440 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.274 440 G C 1.943 176.760 174.900 -0.137 0.000 1.002 440 G CA 1.889 46.929 45.100 -0.101 0.000 0.740 440 G HN 2.316 nan 8.290 nan 0.000 0.516 441 S N -0.985 114.623 115.700 -0.153 0.000 2.390 441 S HA 0.026 4.496 4.470 -0.000 0.000 0.234 441 S C 2.749 177.217 174.600 -0.219 0.000 1.063 441 S CA 2.226 60.323 58.200 -0.172 0.000 1.108 441 S CB -0.699 62.392 63.200 -0.181 0.000 0.975 441 S HN 2.510 nan 8.310 nan 0.000 0.442 442 G N 0.838 109.441 108.800 -0.329 0.000 2.179 442 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.220 442 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.220 442 G C -0.256 174.276 174.900 -0.613 0.000 0.990 442 G CA -0.017 44.791 45.100 -0.486 0.000 0.646 442 G HN 0.574 nan 8.290 nan 0.000 0.517 443 N N 1.150 119.600 118.700 -0.415 0.000 2.482 443 N HA 0.475 5.215 4.740 -0.000 0.000 0.242 443 N C -0.732 174.726 175.510 -0.088 0.000 1.100 443 N CA 0.149 53.064 53.050 -0.226 0.000 0.946 443 N CB 0.365 38.751 38.487 -0.167 0.000 1.227 443 N HN 0.255 nan 8.380 nan 0.000 0.508 444 Y N 0.870 121.216 120.300 0.076 0.000 2.419 444 Y HA 0.513 5.063 4.550 -0.000 0.000 0.328 444 Y C 0.279 176.309 175.900 0.216 0.000 1.162 444 Y CA -1.217 56.936 58.100 0.088 0.000 1.174 444 Y CB 1.146 39.655 38.460 0.083 0.000 1.228 444 Y HN 0.272 nan 8.280 nan 0.000 0.473 445 L N 3.166 124.609 121.223 0.366 0.000 2.409 445 L HA 0.534 4.874 4.340 -0.000 0.000 0.272 445 L C -1.747 175.248 176.870 0.208 0.000 0.980 445 L CA -0.517 54.408 54.840 0.141 0.000 0.826 445 L CB 1.327 43.228 42.059 -0.263 0.000 1.268 445 L HN 0.726 nan 8.230 nan 0.000 0.407 446 H N 3.509 122.617 119.070 0.063 0.000 2.689 446 H HA 0.656 5.212 4.556 -0.000 0.000 0.346 446 H C -1.745 173.598 175.328 0.025 0.000 1.037 446 H CA -0.607 55.471 56.048 0.050 0.000 1.234 446 H CB 1.951 31.769 29.762 0.094 0.000 1.572 446 H HN 0.507 nan 8.280 nan 0.000 0.524 447 V N 4.862 124.543 119.914 -0.388 0.000 2.357 447 V HA 0.821 4.941 4.120 -0.000 0.000 0.284 447 V C -0.697 175.069 176.094 -0.547 0.000 1.018 447 V CA -0.048 62.026 62.300 -0.376 0.000 0.841 447 V CB 0.548 32.214 31.823 -0.262 0.000 0.991 447 V HN 1.030 nan 8.190 nan 0.000 0.437 448 A N 7.056 129.599 122.820 -0.463 0.000 2.292 448 A HA 0.780 5.100 4.320 -0.000 0.000 0.319 448 A C -0.697 176.804 177.584 -0.138 0.000 1.206 448 A CA -0.534 51.322 52.037 -0.303 0.000 0.835 448 A CB 1.016 19.893 19.000 -0.205 0.000 1.164 448 A HN 0.867 nan 8.150 nan 0.000 0.505 449 I N 3.638 124.172 120.570 -0.060 0.000 2.330 449 I HA 0.249 4.419 4.170 -0.000 0.000 0.286 449 I C 1.573 177.679 176.117 -0.018 0.000 1.025 449 I CA -0.054 61.235 61.300 -0.019 0.000 1.197 449 I CB 0.959 38.979 38.000 0.034 0.000 1.358 449 I HN 0.823 nan 8.210 nan 0.000 0.467 450 T N 2.388 116.925 114.554 -0.028 0.000 2.737 450 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 450 T C 1.235 175.925 174.700 -0.017 0.000 1.038 450 T CA 0.686 62.773 62.100 -0.021 0.000 1.144 450 T CB -0.383 68.472 68.868 -0.023 0.000 0.866 450 T HN 0.475 nan 8.240 nan 0.000 0.434 451 S N 1.532 117.218 115.700 -0.023 0.000 2.617 451 S HA 0.491 4.961 4.470 -0.000 0.000 0.255 451 S C 0.346 174.927 174.600 -0.031 0.000 1.318 451 S CA -0.103 58.080 58.200 -0.028 0.000 0.978 451 S CB 0.469 63.645 63.200 -0.040 0.000 0.961 451 S HN 0.936 nan 8.310 nan 0.000 0.582 452 T N -1.325 113.206 114.554 -0.039 0.000 2.957 452 T HA 0.474 4.824 4.350 -0.000 0.000 0.336 452 T C -1.787 172.882 174.700 -0.053 0.000 1.462 452 T CA -1.053 61.022 62.100 -0.041 0.000 1.073 452 T CB 1.042 69.897 68.868 -0.022 0.000 1.319 452 T HN 0.618 nan 8.240 nan 0.000 0.485 453 E N 1.043 121.205 120.200 -0.064 0.000 2.613 453 E HA -0.145 4.205 4.350 -0.000 0.000 0.161 453 E C -0.807 175.734 176.600 -0.097 0.000 1.664 453 E CA 0.293 56.649 56.400 -0.073 0.000 0.661 453 E CB -1.233 28.439 29.700 -0.046 0.000 1.098 453 E HN 0.715 nan 8.360 nan 0.000 0.364 454 I N 2.708 123.194 120.570 -0.140 0.000 2.306 454 I HA 0.156 4.326 4.170 -0.000 0.000 0.288 454 I C 0.573 176.570 176.117 -0.199 0.000 1.036 454 I CA -0.532 60.664 61.300 -0.173 0.000 1.221 454 I CB 0.699 38.566 38.000 -0.222 0.000 1.385 454 I HN 0.056 nan 8.210 nan 0.000 0.472 455 K N 7.249 127.551 120.400 -0.164 0.000 2.201 455 K HA 0.457 4.777 4.320 -0.000 0.000 0.278 455 K C -2.604 173.881 176.600 -0.191 0.000 1.027 455 K CA -1.893 54.297 56.287 -0.161 0.000 0.909 455 K CB 0.384 32.816 32.500 -0.113 0.000 1.062 455 K HN 0.175 nan 8.250 nan 0.000 0.465 456 P HA -0.084 nan 4.420 nan 0.000 0.265 456 P C 0.658 177.839 177.300 -0.198 0.000 1.187 456 P CA 0.831 63.796 63.100 -0.225 0.000 0.766 456 P CB 0.470 32.056 31.700 -0.190 0.000 0.820 457 G N 0.896 109.532 108.800 -0.273 0.000 2.141 457 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.242 457 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.242 457 G C -0.036 174.733 174.900 -0.218 0.000 0.982 457 G CA -0.287 44.666 45.100 -0.245 0.000 0.662 457 G HN 0.505 nan 8.290 nan 0.000 0.527 458 D N 0.151 120.399 120.400 -0.254 0.000 2.312 458 D HA 0.425 5.065 4.640 -0.000 0.000 0.248 458 D C 0.004 176.209 176.300 -0.159 0.000 1.086 458 D CA -0.379 53.521 54.000 -0.167 0.000 0.948 458 D CB 0.573 41.283 40.800 -0.150 0.000 1.162 458 D HN 0.037 nan 8.370 nan 0.000 0.446 459 N N 1.384 120.053 118.700 -0.052 0.000 2.501 459 N HA 0.275 5.015 4.740 -0.000 0.000 0.245 459 N C -0.844 174.647 175.510 -0.031 0.000 0.974 459 N CA -0.385 52.662 53.050 -0.004 0.000 0.941 459 N CB 0.694 39.209 38.487 0.046 0.000 1.122 459 N HN 0.335 nan 8.380 nan 0.000 0.507 460 L N 2.002 123.197 121.223 -0.048 0.000 2.341 460 L HA 0.833 5.173 4.340 -0.000 0.000 0.278 460 L C -2.698 174.143 176.870 -0.048 0.000 1.005 460 L CA -1.818 52.993 54.840 -0.049 0.000 0.818 460 L CB 2.685 44.709 42.059 -0.059 0.000 1.259 460 L HN 0.180 nan 8.230 nan 0.000 0.418 461 P HA 0.196 nan 4.420 nan 0.000 0.290 461 P C -1.148 176.107 177.300 -0.075 0.000 1.276 461 P CA -0.355 62.713 63.100 -0.053 0.000 0.808 461 P CB 2.328 34.005 31.700 -0.038 0.000 0.966 462 V N 4.211 124.057 119.914 -0.114 0.000 2.417 462 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 462 V C -0.415 175.494 176.094 -0.309 0.000 1.024 462 V CA -0.791 61.414 62.300 -0.158 0.000 0.861 462 V CB 1.045 32.831 31.823 -0.062 0.000 0.985 462 V HN 0.449 nan 8.190 nan 0.000 0.436 463 N N 5.479 124.025 118.700 -0.257 0.000 2.434 463 N HA 0.395 5.135 4.740 -0.000 0.000 0.272 463 N C -1.093 174.263 175.510 -0.257 0.000 1.040 463 N CA -0.073 52.850 53.050 -0.212 0.000 0.956 463 N CB 1.061 39.488 38.487 -0.100 0.000 1.108 463 N HN 0.472 nan 8.380 nan 0.000 0.481 464 F N 1.491 121.397 119.950 -0.073 0.000 2.361 464 F HA 0.345 4.872 4.527 -0.000 0.000 0.364 464 F C 0.602 176.406 175.800 0.007 0.000 1.120 464 F CA -0.961 56.949 58.000 -0.149 0.000 1.102 464 F CB 0.288 39.199 39.000 -0.150 0.000 1.183 464 F HN 0.242 nan 8.300 nan 0.000 0.476 465 N N 2.161 120.979 118.700 0.196 0.000 2.342 465 N HA 0.704 5.444 4.740 -0.000 0.000 0.293 465 N C -1.275 174.375 175.510 0.234 0.000 1.026 465 N CA -0.584 52.585 53.050 0.199 0.000 0.857 465 N CB 2.167 40.751 38.487 0.161 0.000 1.256 465 N HN 0.280 nan 8.380 nan 0.000 0.484 466 V N -0.454 119.618 119.914 0.264 0.000 3.046 466 V HA 0.697 4.817 4.120 -0.000 0.000 0.316 466 V C -0.470 175.776 176.094 0.253 0.000 1.104 466 V CA -0.827 61.649 62.300 0.293 0.000 1.006 466 V CB 2.023 34.062 31.823 0.359 0.000 1.058 466 V HN 0.600 nan 8.190 nan 0.000 0.440 467 K N -0.167 120.390 120.400 0.263 0.000 2.562 467 K HA 0.681 5.001 4.320 -0.000 0.000 0.267 467 K C -0.161 176.489 176.600 0.084 0.000 0.938 467 K CA 0.336 56.733 56.287 0.183 0.000 0.840 467 K CB 2.053 34.688 32.500 0.225 0.000 1.390 467 K HN 1.707 nan 8.250 nan 0.000 0.428 468 G N 2.283 111.098 108.800 0.026 0.000 2.253 468 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.190 468 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.190 468 G C -1.179 173.685 174.900 -0.061 0.000 1.274 468 G CA -0.360 44.706 45.100 -0.056 0.000 1.275 468 G HN 0.764 nan 8.290 nan 0.000 0.518 469 N N 1.858 120.498 118.700 -0.101 0.000 2.417 469 N HA 0.298 5.038 4.740 -0.000 0.000 0.272 469 N C 1.641 177.103 175.510 -0.080 0.000 1.304 469 N CA 0.921 53.915 53.050 -0.094 0.000 0.906 469 N CB 1.000 39.416 38.487 -0.117 0.000 1.135 469 N HN 1.081 nan 8.380 nan 0.000 0.483 470 A N 5.131 127.915 122.820 -0.060 0.000 1.862 470 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 470 A C 1.594 179.138 177.584 -0.066 0.000 1.251 470 A CA 2.017 54.024 52.037 -0.051 0.000 0.673 470 A CB -0.894 18.082 19.000 -0.039 0.000 0.843 470 A HN 0.972 nan 8.150 nan 0.000 0.458 471 N N -0.151 118.508 118.700 -0.068 0.000 2.617 471 N HA -0.023 4.717 4.740 -0.000 0.000 0.198 471 N C 1.136 176.586 175.510 -0.100 0.000 1.317 471 N CA 1.068 54.073 53.050 -0.076 0.000 0.892 471 N CB 0.129 38.578 38.487 -0.065 0.000 1.041 471 N HN 0.424 nan 8.380 nan 0.000 0.450 472 S N 0.805 116.435 115.700 -0.116 0.000 2.433 472 S HA 0.207 4.677 4.470 -0.000 0.000 0.216 472 S C 1.875 176.365 174.600 -0.183 0.000 1.031 472 S CA -0.301 57.804 58.200 -0.159 0.000 0.931 472 S CB -0.119 62.978 63.200 -0.173 0.000 0.875 472 S HN 0.260 nan 8.310 nan 0.000 0.553 473 L N 2.012 123.143 121.223 -0.153 0.000 2.129 473 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 473 L C 2.469 179.261 176.870 -0.129 0.000 1.087 473 L CA 1.493 56.248 54.840 -0.141 0.000 0.757 473 L CB -0.788 41.236 42.059 -0.059 0.000 0.896 473 L HN 0.363 nan 8.230 nan 0.000 0.434 474 K N 1.543 121.879 120.400 -0.106 0.000 2.107 474 K HA -0.246 4.074 4.320 -0.000 0.000 0.211 474 K C 1.280 177.812 176.600 -0.114 0.000 1.049 474 K CA 2.116 58.348 56.287 -0.092 0.000 0.927 474 K CB -0.061 32.392 32.500 -0.079 0.000 0.714 474 K HN 0.580 nan 8.250 nan 0.000 0.452 475 Q N 0.365 120.077 119.800 -0.147 0.000 2.526 475 Q HA 0.235 4.575 4.340 -0.000 0.000 0.353 475 Q C -0.745 175.116 176.000 -0.231 0.000 0.977 475 Q CA -0.286 55.417 55.803 -0.167 0.000 1.027 475 Q CB 0.230 28.874 28.738 -0.157 0.000 1.272 475 Q HN 0.113 nan 8.270 nan 0.000 0.420 476 I N 1.696 122.122 120.570 -0.239 0.000 2.395 476 I HA 0.168 4.338 4.170 -0.000 0.000 0.282 476 I C 0.011 175.934 176.117 -0.323 0.000 1.107 476 I CA -0.383 60.732 61.300 -0.309 0.000 1.210 476 I CB 0.724 38.551 38.000 -0.287 0.000 1.456 476 I HN 0.061 nan 8.210 nan 0.000 0.504 477 K N 4.930 125.108 120.400 -0.370 0.000 2.186 477 K HA 0.134 4.454 4.320 -0.000 0.000 0.202 477 K C -0.807 175.682 176.600 -0.184 0.000 1.052 477 K CA 0.966 57.092 56.287 -0.267 0.000 0.965 477 K CB -0.006 32.368 32.500 -0.210 0.000 0.746 477 K HN 0.547 nan 8.250 nan 0.000 0.457 478 Y N -2.696 117.518 120.300 -0.144 0.000 2.442 478 Y HA 0.514 5.064 4.550 -0.000 0.000 0.330 478 Y C -1.120 174.699 175.900 -0.135 0.000 1.100 478 Y CA -2.492 55.527 58.100 -0.135 0.000 1.034 478 Y CB 0.014 38.446 38.460 -0.047 0.000 1.285 478 Y HN -0.306 nan 8.280 nan 0.000 0.440 479 F N 1.955 121.941 119.950 0.060 0.000 2.412 479 F HA 0.569 5.096 4.527 -0.000 0.000 0.348 479 F C 0.589 176.265 175.800 -0.207 0.000 1.102 479 F CA -0.292 57.603 58.000 -0.175 0.000 1.196 479 F CB 1.703 40.388 39.000 -0.524 0.000 1.144 479 F HN 0.578 nan 8.300 nan 0.000 0.541 480 T N 5.187 119.686 114.554 -0.091 0.000 2.771 480 T HA 0.428 4.778 4.350 -0.000 0.000 0.281 480 T C -0.958 173.574 174.700 -0.280 0.000 0.982 480 T CA -0.397 61.520 62.100 -0.306 0.000 0.978 480 T CB 0.307 68.865 68.868 -0.516 0.000 0.930 480 T HN 0.447 nan 8.240 nan 0.000 0.447 481 Y N 2.772 123.037 120.300 -0.059 0.000 2.446 481 Y HA 0.800 5.350 4.550 -0.000 0.000 0.345 481 Y C -1.151 174.793 175.900 0.074 0.000 0.984 481 Y CA -1.848 56.293 58.100 0.069 0.000 1.058 481 Y CB 1.011 39.760 38.460 0.482 0.000 1.220 481 Y HN 0.302 nan 8.280 nan 0.000 0.455 482 L N 3.084 124.471 121.223 0.274 0.000 2.370 482 L HA 0.662 5.002 4.340 -0.000 0.000 0.266 482 L C -0.986 175.899 176.870 0.025 0.000 1.002 482 L CA -2.545 52.360 54.840 0.109 0.000 0.818 482 L CB 1.308 43.426 42.059 0.098 0.000 1.325 482 L HN 0.696 nan 8.230 nan 0.000 0.418 483 I N 2.612 123.117 120.570 -0.109 0.000 2.354 483 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 483 I C -0.429 175.692 176.117 0.007 0.000 0.989 483 I CA -0.540 60.664 61.300 -0.159 0.000 1.188 483 I CB 1.652 39.460 38.000 -0.320 0.000 1.342 483 I HN 0.502 nan 8.210 nan 0.000 0.457 484 L N 5.938 127.179 121.223 0.029 0.000 2.334 484 L HA 0.612 4.952 4.340 -0.000 0.000 0.272 484 L C -0.144 176.819 176.870 0.156 0.000 1.020 484 L CA -0.513 54.393 54.840 0.110 0.000 0.812 484 L CB 1.995 44.118 42.059 0.107 0.000 1.264 484 L HN 0.732 nan 8.230 nan 0.000 0.439 485 N N 1.015 119.814 118.700 0.165 0.000 3.049 485 N HA 0.091 4.831 4.740 -0.000 0.000 0.244 485 N C -0.647 174.936 175.510 0.122 0.000 1.203 485 N CA -0.441 52.701 53.050 0.152 0.000 0.945 485 N CB 1.629 40.204 38.487 0.147 0.000 1.616 485 N HN 0.629 nan 8.380 nan 0.000 0.505 486 K N 0.896 121.364 120.400 0.113 0.000 3.572 486 K HA -0.203 4.117 4.320 -0.000 0.000 0.306 486 K C 0.604 177.227 176.600 0.038 0.000 1.286 486 K CA 1.538 57.885 56.287 0.098 0.000 1.010 486 K CB -1.437 31.129 32.500 0.110 0.000 1.268 486 K HN 1.051 nan 8.250 nan 0.000 0.438 487 G N 0.362 109.220 108.800 0.096 0.000 2.135 487 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.183 487 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.183 487 G C -0.410 174.685 174.900 0.326 0.000 1.004 487 G CA 0.310 45.541 45.100 0.219 0.000 0.677 487 G HN 0.367 nan 8.290 nan 0.000 0.512 488 K N -0.761 119.752 120.400 0.187 0.000 2.555 488 K HA 0.705 5.025 4.320 -0.000 0.000 0.279 488 K C -0.746 175.933 176.600 0.131 0.000 0.986 488 K CA -1.364 55.005 56.287 0.137 0.000 0.880 488 K CB 1.692 34.244 32.500 0.086 0.000 1.474 488 K HN 0.082 nan 8.250 nan 0.000 0.433 489 I N 2.724 123.364 120.570 0.117 0.000 2.281 489 I HA 0.095 4.265 4.170 -0.000 0.000 0.293 489 I C 0.733 176.972 176.117 0.203 0.000 1.085 489 I CA -0.602 60.780 61.300 0.136 0.000 1.257 489 I CB 0.033 38.096 38.000 0.104 0.000 1.430 489 I HN 0.520 nan 8.210 nan 0.000 0.489 490 F N 7.154 127.116 119.950 0.021 0.000 2.007 490 F HA 0.131 4.658 4.527 -0.000 0.000 0.294 490 F C 1.101 176.901 175.800 0.000 0.000 1.351 490 F CA 0.708 58.715 58.000 0.011 0.000 1.152 490 F CB -0.060 38.943 39.000 0.004 0.000 0.947 490 F HN 0.263 nan 8.300 nan 0.000 0.504 491 K N 0.598 120.786 120.400 -0.354 0.000 2.098 491 K HA 0.524 4.844 4.320 -0.000 0.000 0.258 491 K C -1.555 174.900 176.600 -0.240 0.000 0.973 491 K CA -0.505 55.479 56.287 -0.505 0.000 0.898 491 K CB 1.591 33.462 32.500 -1.048 0.000 1.057 491 K HN 0.266 nan 8.250 nan 0.000 0.447 492 V N 1.708 121.564 119.914 -0.098 0.000 2.925 492 V HA 0.841 4.961 4.120 -0.000 0.000 0.311 492 V C -0.645 175.556 176.094 0.177 0.000 1.104 492 V CA 0.021 62.354 62.300 0.055 0.000 0.954 492 V CB 1.915 33.789 31.823 0.085 0.000 1.022 492 V HN 1.035 nan 8.190 nan 0.000 0.427 493 G N 4.531 113.611 108.800 0.466 0.000 2.495 493 G HA2 0.599 4.559 3.960 -0.000 0.000 0.294 493 G HA3 0.599 4.559 3.960 -0.000 0.000 0.294 493 G C -1.963 172.855 174.900 -0.136 0.000 1.397 493 G CA -0.881 44.440 45.100 0.368 0.000 0.790 493 G HN 0.575 nan 8.290 nan 0.000 0.486 494 R N -0.308 120.057 120.500 -0.224 0.000 2.668 494 R HA 0.714 5.054 4.340 -0.000 0.000 0.279 494 R C -0.982 175.141 176.300 -0.295 0.000 0.976 494 R CA -0.898 55.020 56.100 -0.303 0.000 0.978 494 R CB 1.687 31.869 30.300 -0.197 0.000 1.133 494 R HN 0.564 nan 8.270 nan 0.000 0.484 495 Q N 2.073 121.783 119.800 -0.148 0.000 2.337 495 Q HA 0.400 4.740 4.340 -0.000 0.000 0.264 495 Q C -2.605 173.488 176.000 0.154 0.000 1.007 495 Q CA -2.063 53.781 55.803 0.068 0.000 0.727 495 Q CB 1.710 30.613 28.738 0.275 0.000 1.256 495 Q HN 0.196 nan 8.270 nan 0.000 0.467 496 P HA 0.126 nan 4.420 nan 0.000 0.270 496 P C -1.209 176.135 177.300 0.073 0.000 1.221 496 P CA -0.037 63.120 63.100 0.096 0.000 0.788 496 P CB 0.462 32.206 31.700 0.073 0.000 0.904 497 R N 0.612 121.116 120.500 0.008 0.000 2.574 497 R HA 0.514 4.854 4.340 -0.000 0.000 0.288 497 R C -1.097 175.190 176.300 -0.021 0.000 1.004 497 R CA -0.654 55.426 56.100 -0.033 0.000 0.895 497 R CB 1.376 31.564 30.300 -0.185 0.000 1.191 497 R HN 0.288 nan 8.270 nan 0.000 0.444 498 R N 2.167 122.669 120.500 0.004 0.000 2.604 498 R HA 0.261 4.601 4.340 -0.000 0.000 0.287 498 R C -0.807 175.489 176.300 -0.007 0.000 0.970 498 R CA -0.884 55.216 56.100 -0.001 0.000 0.946 498 R CB 1.203 31.512 30.300 0.014 0.000 1.127 498 R HN 0.753 nan 8.270 nan 0.000 0.473 499 D N 0.949 121.340 120.400 -0.015 0.000 2.525 499 D HA 0.080 4.720 4.640 -0.000 0.000 0.235 499 D C 0.978 177.277 176.300 -0.002 0.000 1.137 499 D CA 2.160 56.149 54.000 -0.019 0.000 0.868 499 D CB 0.791 41.578 40.800 -0.022 0.000 1.180 499 D HN 0.725 nan 8.370 nan 0.000 0.465 500 G N 2.849 111.650 108.800 0.001 0.000 2.213 500 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 500 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 500 G C 0.340 175.258 174.900 0.031 0.000 0.991 500 G CA 0.137 45.246 45.100 0.015 0.000 0.629 500 G HN 0.566 nan 8.290 nan 0.000 0.517 501 Q N 0.718 120.539 119.800 0.035 0.000 2.337 501 Q HA 0.476 4.816 4.340 -0.000 0.000 0.255 501 Q C 0.892 176.944 176.000 0.087 0.000 0.997 501 Q CA -0.365 55.477 55.803 0.065 0.000 0.925 501 Q CB 0.570 29.355 28.738 0.078 0.000 1.212 501 Q HN 0.294 nan 8.270 nan 0.000 0.436 502 N N 1.910 120.670 118.700 0.100 0.000 2.325 502 N HA 0.105 4.845 4.740 -0.000 0.000 0.182 502 N C -0.667 174.945 175.510 0.170 0.000 1.088 502 N CA 0.362 53.489 53.050 0.128 0.000 0.879 502 N CB 0.642 39.194 38.487 0.108 0.000 0.983 502 N HN 0.420 nan 8.380 nan 0.000 0.471 503 L N 0.763 122.081 121.223 0.159 0.000 2.504 503 L HA 0.476 4.816 4.340 -0.000 0.000 0.265 503 L C -1.638 175.338 176.870 0.177 0.000 0.975 503 L CA -0.427 54.516 54.840 0.172 0.000 0.864 503 L CB 1.484 43.616 42.059 0.122 0.000 1.212 503 L HN -0.337 nan 8.230 nan 0.000 0.416 504 V N 3.616 123.687 119.914 0.262 0.000 2.680 504 V HA 0.646 4.766 4.120 -0.000 0.000 0.309 504 V C -0.176 176.053 176.094 0.224 0.000 1.052 504 V CA -0.128 62.319 62.300 0.245 0.000 0.908 504 V CB 2.525 34.527 31.823 0.299 0.000 1.001 504 V HN 0.779 nan 8.190 nan 0.000 0.431 505 T N 6.538 121.161 114.554 0.115 0.000 2.907 505 T HA 0.678 5.028 4.350 -0.000 0.000 0.292 505 T C -0.922 173.778 174.700 -0.000 0.000 1.043 505 T CA -0.483 61.617 62.100 0.001 0.000 1.003 505 T CB 1.215 70.080 68.868 -0.006 0.000 1.084 505 T HN 0.733 nan 8.240 nan 0.000 0.483 506 M N 3.932 123.485 119.600 -0.079 0.000 2.271 506 M HA 0.475 4.955 4.480 -0.000 0.000 0.285 506 M C -1.478 174.806 176.300 -0.027 0.000 1.059 506 M CA -0.709 54.584 55.300 -0.012 0.000 0.940 506 M CB 1.698 34.332 32.600 0.056 0.000 1.636 506 M HN 0.377 nan 8.290 nan 0.000 0.460 507 N N 3.871 122.572 118.700 0.001 0.000 2.442 507 N HA 0.296 5.036 4.740 -0.000 0.000 0.265 507 N C -1.298 174.210 175.510 -0.004 0.000 1.138 507 N CA -0.077 52.970 53.050 -0.005 0.000 0.956 507 N CB 1.044 39.537 38.487 0.009 0.000 1.067 507 N HN 0.581 nan 8.380 nan 0.000 0.474 508 L N 3.235 124.435 121.223 -0.039 0.000 2.331 508 L HA 0.310 4.650 4.340 -0.000 0.000 0.275 508 L C -0.477 176.392 176.870 -0.002 0.000 1.022 508 L CA -0.722 54.083 54.840 -0.059 0.000 0.812 508 L CB 1.123 43.073 42.059 -0.182 0.000 1.257 508 L HN 0.505 nan 8.230 nan 0.000 0.435 509 H N 4.603 123.622 119.070 -0.084 0.000 2.623 509 H HA 0.471 5.027 4.556 -0.000 0.000 0.299 509 H C -0.573 174.719 175.328 -0.059 0.000 1.052 509 H CA -0.727 55.284 56.048 -0.062 0.000 1.231 509 H CB 0.304 30.037 29.762 -0.048 0.000 1.389 509 H HN 0.455 nan 8.280 nan 0.000 0.469 510 I N 4.037 124.365 120.570 -0.403 0.000 2.634 510 I HA 0.123 4.293 4.170 -0.000 0.000 0.284 510 I C 0.953 176.847 176.117 -0.372 0.000 1.124 510 I CA 0.352 61.461 61.300 -0.319 0.000 1.417 510 I CB 0.820 38.629 38.000 -0.318 0.000 1.396 510 I HN 0.679 nan 8.210 nan 0.000 0.571 511 T N 5.770 120.221 114.554 -0.171 0.000 2.909 511 T HA 0.445 4.795 4.350 -0.000 0.000 0.299 511 T C -2.110 172.539 174.700 -0.084 0.000 1.073 511 T CA -1.762 60.284 62.100 -0.090 0.000 0.999 511 T CB 2.039 70.945 68.868 0.063 0.000 1.098 511 T HN 0.241 nan 8.240 nan 0.000 0.477 512 P HA -0.196 nan 4.420 nan 0.000 0.222 512 P C 0.644 177.873 177.300 -0.118 0.000 1.155 512 P CA 1.691 64.732 63.100 -0.099 0.000 0.890 512 P CB -0.021 31.646 31.700 -0.055 0.000 0.790 513 D N -1.118 119.227 120.400 -0.093 0.000 2.265 513 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 513 D C 1.675 177.901 176.300 -0.123 0.000 0.977 513 D CA 0.877 54.797 54.000 -0.135 0.000 0.871 513 D CB -0.909 39.724 40.800 -0.278 0.000 0.925 513 D HN 0.294 nan 8.370 nan 0.000 0.485 514 L N -0.191 120.960 121.223 -0.119 0.000 2.418 514 L HA 0.144 4.484 4.340 -0.000 0.000 0.218 514 L C 0.902 177.564 176.870 -0.347 0.000 1.125 514 L CA -0.177 54.570 54.840 -0.155 0.000 0.835 514 L CB -0.409 41.504 42.059 -0.245 0.000 0.953 514 L HN -0.068 nan 8.230 nan 0.000 0.454 515 I N 2.741 123.064 120.570 -0.412 0.000 2.815 515 I HA -0.048 4.122 4.170 -0.000 0.000 0.291 515 I C -1.103 174.573 176.117 -0.736 0.000 1.209 515 I CA -0.469 60.447 61.300 -0.639 0.000 1.431 515 I CB 0.644 38.205 38.000 -0.731 0.000 1.351 515 I HN -0.062 nan 8.210 nan 0.000 0.585 516 P HA 0.073 nan 4.420 nan 0.000 0.267 516 P C -0.599 176.404 177.300 -0.496 0.000 1.289 516 P CA 0.194 62.854 63.100 -0.733 0.000 0.866 516 P CB 0.465 31.761 31.700 -0.674 0.000 1.309 517 S N 0.340 115.800 115.700 -0.400 0.000 2.548 517 S HA 0.645 5.114 4.470 -0.000 0.000 0.278 517 S C -0.920 173.592 174.600 -0.147 0.000 1.150 517 S CA -0.882 57.083 58.200 -0.392 0.000 0.907 517 S CB 0.357 63.410 63.200 -0.244 0.000 1.108 517 S HN 0.152 nan 8.310 nan 0.000 0.459 518 F N 0.574 120.310 119.950 -0.356 0.000 2.599 518 F HA 0.751 5.278 4.527 -0.000 0.000 0.311 518 F C -0.602 175.134 175.800 -0.106 0.000 1.076 518 F CA -1.480 56.418 58.000 -0.169 0.000 0.937 518 F CB 1.523 40.435 39.000 -0.147 0.000 1.282 518 F HN 0.506 nan 8.300 nan 0.000 0.460 519 R N 2.135 122.674 120.500 0.064 0.000 2.474 519 R HA 0.418 4.758 4.340 -0.000 0.000 0.295 519 R C -1.792 174.407 176.300 -0.169 0.000 0.980 519 R CA -0.843 55.272 56.100 0.026 0.000 0.934 519 R CB 2.159 32.549 30.300 0.150 0.000 1.101 519 R HN 0.579 nan 8.270 nan 0.000 0.469 520 F N 3.926 123.690 119.950 -0.309 0.000 2.375 520 F HA 0.343 4.870 4.527 -0.000 0.000 0.361 520 F C -0.798 174.902 175.800 -0.167 0.000 1.117 520 F CA -1.314 56.498 58.000 -0.315 0.000 1.037 520 F CB 1.137 39.939 39.000 -0.330 0.000 1.192 520 F HN 0.080 nan 8.300 nan 0.000 0.452 521 V N 4.392 124.373 119.914 0.111 0.000 2.628 521 V HA 0.958 5.078 4.120 -0.000 0.000 0.306 521 V C -0.271 175.701 176.094 -0.203 0.000 1.045 521 V CA -0.826 61.382 62.300 -0.155 0.000 0.905 521 V CB 1.032 32.714 31.823 -0.236 0.000 0.997 521 V HN 0.944 nan 8.190 nan 0.000 0.436 522 A N 3.479 126.121 122.820 -0.296 0.000 2.606 522 A HA 1.012 5.332 4.320 -0.000 0.000 0.293 522 A C -1.578 175.933 177.584 -0.121 0.000 1.082 522 A CA -0.629 51.232 52.037 -0.292 0.000 0.685 522 A CB 2.201 20.880 19.000 -0.535 0.000 1.284 522 A HN 1.803 nan 8.150 nan 0.000 0.408 523 Y N -0.969 119.284 120.300 -0.078 0.000 2.624 523 Y HA 0.773 5.322 4.550 -0.000 0.000 0.334 523 Y C -1.670 174.356 175.900 0.210 0.000 1.155 523 Y CA -2.017 56.120 58.100 0.061 0.000 1.046 523 Y CB 0.612 39.236 38.460 0.273 0.000 1.316 523 Y HN 1.259 nan 8.280 nan 0.000 0.457 524 Y N 0.518 121.125 120.300 0.512 0.000 2.570 524 Y HA 0.846 5.396 4.550 -0.000 0.000 0.345 524 Y C -1.388 174.593 175.900 0.135 0.000 1.014 524 Y CA -2.437 55.845 58.100 0.304 0.000 1.063 524 Y CB 1.319 39.822 38.460 0.072 0.000 1.272 524 Y HN 0.718 nan 8.280 nan 0.000 0.477 525 Q N 0.997 120.854 119.800 0.095 0.000 2.353 525 Q HA 0.711 5.051 4.340 -0.000 0.000 0.268 525 Q C -1.506 174.323 176.000 -0.285 0.000 1.045 525 Q CA -1.083 54.614 55.803 -0.176 0.000 0.811 525 Q CB 2.305 30.811 28.738 -0.387 0.000 1.305 525 Q HN 0.621 nan 8.270 nan 0.000 0.447 526 V N -0.286 119.451 119.914 -0.295 0.000 2.398 526 V HA 0.825 4.945 4.120 -0.000 0.000 0.286 526 V C 1.045 177.014 176.094 -0.209 0.000 1.026 526 V CA -0.302 61.829 62.300 -0.281 0.000 0.868 526 V CB 0.595 32.236 31.823 -0.302 0.000 0.982 526 V HN 1.220 nan 8.190 nan 0.000 0.443 527 G N 3.899 112.590 108.800 -0.183 0.000 2.283 527 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.280 527 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.280 527 G C 0.403 175.226 174.900 -0.130 0.000 1.029 527 G CA 0.422 45.438 45.100 -0.140 0.000 0.840 527 G HN 1.350 nan 8.290 nan 0.000 0.505 528 N N -1.556 117.057 118.700 -0.145 0.000 2.714 528 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 528 N C 0.825 176.251 175.510 -0.140 0.000 1.117 528 N CA 1.788 54.756 53.050 -0.136 0.000 0.719 528 N CB -1.237 37.188 38.487 -0.103 0.000 1.081 528 N HN 0.780 nan 8.380 nan 0.000 0.557 529 N N -0.146 118.463 118.700 -0.151 0.000 2.200 529 N HA 0.037 4.777 4.740 -0.000 0.000 0.233 529 N C -0.501 174.924 175.510 -0.141 0.000 1.236 529 N CA 0.331 53.303 53.050 -0.130 0.000 0.845 529 N CB 0.848 39.269 38.487 -0.111 0.000 1.257 529 N HN 0.462 nan 8.380 nan 0.000 0.472 530 E N 0.914 121.016 120.200 -0.163 0.000 2.212 530 E HA 0.408 4.758 4.350 -0.000 0.000 0.268 530 E C -0.754 175.750 176.600 -0.161 0.000 0.902 530 E CA -0.683 55.624 56.400 -0.154 0.000 0.779 530 E CB 1.447 31.056 29.700 -0.153 0.000 1.172 530 E HN 0.249 nan 8.360 nan 0.000 0.409 531 I N 1.636 122.127 120.570 -0.131 0.000 2.411 531 I HA 0.539 4.709 4.170 -0.000 0.000 0.284 531 I C -1.013 175.139 176.117 0.058 0.000 1.012 531 I CA -1.007 60.226 61.300 -0.112 0.000 1.119 531 I CB 1.427 39.246 38.000 -0.303 0.000 1.261 531 I HN 0.151 nan 8.210 nan 0.000 0.448 532 V N 5.100 125.187 119.914 0.288 0.000 2.735 532 V HA 0.958 5.078 4.120 -0.000 0.000 0.310 532 V C 0.042 176.374 176.094 0.398 0.000 1.061 532 V CA -0.133 62.403 62.300 0.394 0.000 0.913 532 V CB 1.978 34.048 31.823 0.411 0.000 1.005 532 V HN 1.041 nan 8.190 nan 0.000 0.428 533 A N 3.620 126.673 122.820 0.388 0.000 2.533 533 A HA 0.950 5.270 4.320 -0.000 0.000 0.293 533 A C -1.631 176.050 177.584 0.162 0.000 1.228 533 A CA -0.422 51.776 52.037 0.269 0.000 0.689 533 A CB 2.137 21.414 19.000 0.461 0.000 1.303 533 A HN 0.736 nan 8.150 nan 0.000 0.444 534 D N -1.614 118.790 120.400 0.007 0.000 2.653 534 D HA 0.614 5.254 4.640 -0.000 0.000 0.258 534 D C -1.265 174.962 176.300 -0.122 0.000 1.252 534 D CA 0.691 54.663 54.000 -0.048 0.000 0.777 534 D CB 1.977 42.781 40.800 0.006 0.000 1.339 534 D HN 1.143 nan 8.370 nan 0.000 0.422 535 S N 0.141 115.792 115.700 -0.080 0.000 2.546 535 S HA 0.692 5.162 4.470 -0.000 0.000 0.272 535 S C -1.551 173.058 174.600 0.015 0.000 1.140 535 S CA -0.739 57.417 58.200 -0.073 0.000 0.920 535 S CB 1.377 64.536 63.200 -0.069 0.000 1.083 535 S HN 0.590 nan 8.310 nan 0.000 0.476 536 V N 3.236 123.179 119.914 0.047 0.000 3.001 536 V HA 0.893 5.013 4.120 -0.000 0.000 0.314 536 V C -1.758 174.465 176.094 0.216 0.000 1.099 536 V CA -0.672 61.705 62.300 0.128 0.000 0.989 536 V CB 2.096 33.978 31.823 0.098 0.000 1.040 536 V HN 1.066 nan 8.190 nan 0.000 0.434 537 W N 4.485 125.814 121.300 0.047 0.000 2.706 537 W HA 0.812 5.472 4.660 -0.000 0.000 0.346 537 W C -1.452 175.140 176.519 0.122 0.000 1.071 537 W CA -0.433 56.956 57.345 0.072 0.000 1.206 537 W CB 1.898 31.387 29.460 0.048 0.000 1.413 537 W HN 0.530 nan 8.180 nan 0.000 0.542 538 V N 4.084 123.766 119.914 -0.387 0.000 2.932 538 V HA 0.211 4.331 4.120 -0.000 0.000 0.307 538 V C -1.196 174.401 176.094 -0.828 0.000 1.147 538 V CA -0.970 61.103 62.300 -0.379 0.000 0.951 538 V CB 1.843 33.771 31.823 0.175 0.000 1.031 538 V HN 0.454 nan 8.190 nan 0.000 0.426 539 D N 2.289 122.263 120.400 -0.710 0.000 2.313 539 D HA 0.481 5.121 4.640 -0.000 0.000 0.239 539 D C -0.438 175.580 176.300 -0.470 0.000 1.142 539 D CA 0.089 53.718 54.000 -0.618 0.000 0.847 539 D CB 1.864 42.410 40.800 -0.424 0.000 1.082 539 D HN 0.308 nan 8.370 nan 0.000 0.480 540 V N 3.530 123.126 119.914 -0.530 0.000 2.567 540 V HA 0.148 4.268 4.120 -0.000 0.000 0.289 540 V C 0.601 176.476 176.094 -0.365 0.000 1.049 540 V CA -0.940 61.071 62.300 -0.483 0.000 0.969 540 V CB 1.350 32.825 31.823 -0.579 0.000 0.995 540 V HN 0.413 nan 8.190 nan 0.000 0.471 541 K N 2.880 123.114 120.400 -0.277 0.000 2.440 541 K HA -0.062 4.258 4.320 -0.000 0.000 0.275 541 K C -0.183 176.287 176.600 -0.217 0.000 1.082 541 K CA 0.412 56.581 56.287 -0.197 0.000 1.135 541 K CB -0.347 32.067 32.500 -0.144 0.000 0.864 541 K HN 0.597 nan 8.250 nan 0.000 0.479 542 D N 3.351 123.646 120.400 -0.175 0.000 2.541 542 D HA 0.026 4.666 4.640 -0.000 0.000 0.231 542 D C 0.174 176.498 176.300 0.040 0.000 1.163 542 D CA 0.307 54.196 54.000 -0.185 0.000 1.077 542 D CB -0.025 40.742 40.800 -0.055 0.000 1.110 542 D HN 0.668 nan 8.370 nan 0.000 0.499 543 T N -2.067 112.510 114.554 0.037 0.000 2.724 543 T HA 0.397 4.747 4.350 -0.000 0.000 0.274 543 T C -0.065 174.821 174.700 0.310 0.000 0.984 543 T CA -0.722 61.472 62.100 0.156 0.000 1.024 543 T CB 1.031 69.916 68.868 0.029 0.000 1.320 543 T HN 0.188 nan 8.240 nan 0.000 0.555 544 c N 2.673 121.363 118.600 0.151 0.000 2.527 544 c HA 0.421 4.991 4.570 -0.000 0.000 0.396 544 c C 2.352 176.489 174.090 0.079 0.000 1.289 544 c CA -0.763 55.634 56.329 0.113 0.000 2.047 544 c CB -0.709 41.806 42.510 0.008 0.000 2.568 544 c HN 0.863 nan 8.230 nan 0.000 0.573 545 M N 3.212 122.870 119.600 0.096 0.000 3.231 545 M HA -0.065 4.415 4.480 -0.000 0.000 0.286 545 M C 1.663 177.955 176.300 -0.014 0.000 1.056 545 M CA 2.258 57.580 55.300 0.035 0.000 1.066 545 M CB -1.622 30.987 32.600 0.016 0.000 1.191 545 M HN 0.925 nan 8.290 nan 0.000 0.569 546 G N -0.538 108.239 108.800 -0.038 0.000 2.522 546 G HA2 0.268 4.228 3.960 -0.000 0.000 0.223 546 G HA3 0.268 4.228 3.960 -0.000 0.000 0.223 546 G C -0.303 174.572 174.900 -0.042 0.000 1.565 546 G CA 0.005 45.078 45.100 -0.045 0.000 1.053 546 G HN 0.519 nan 8.290 nan 0.000 0.547 547 T N -1.287 113.238 114.554 -0.048 0.000 2.841 547 T HA 0.563 4.913 4.350 -0.000 0.000 0.296 547 T C -1.503 173.165 174.700 -0.054 0.000 1.166 547 T CA -0.327 61.745 62.100 -0.046 0.000 1.007 547 T CB 2.038 70.882 68.868 -0.039 0.000 1.253 547 T HN 0.631 nan 8.240 nan 0.000 0.511 548 L N 2.172 123.362 121.223 -0.054 0.000 2.722 548 L HA 0.461 4.801 4.340 -0.000 0.000 0.244 548 L C -1.089 175.748 176.870 -0.056 0.000 1.023 548 L CA -0.441 54.364 54.840 -0.059 0.000 0.988 548 L CB 0.683 42.698 42.059 -0.074 0.000 1.245 548 L HN 0.668 nan 8.230 nan 0.000 0.508 549 V N 1.005 120.887 119.914 -0.053 0.000 2.667 549 V HA 0.847 4.967 4.120 -0.000 0.000 0.308 549 V C -0.524 175.534 176.094 -0.060 0.000 1.048 549 V CA -0.721 61.545 62.300 -0.056 0.000 0.928 549 V CB 2.082 33.868 31.823 -0.061 0.000 1.004 549 V HN 0.197 nan 8.190 nan 0.000 0.444 550 V N 3.905 123.782 119.914 -0.060 0.000 2.275 550 V HA 0.414 4.534 4.120 -0.000 0.000 0.272 550 V C 0.292 176.303 176.094 -0.137 0.000 1.028 550 V CA -0.410 61.865 62.300 -0.041 0.000 0.810 550 V CB 0.696 32.551 31.823 0.054 0.000 1.043 550 V HN 0.982 nan 8.190 nan 0.000 0.453 551 K N 2.857 123.179 120.400 -0.130 0.000 2.205 551 K HA 0.723 5.043 4.320 -0.000 0.000 0.279 551 K C 0.362 176.866 176.600 -0.159 0.000 1.027 551 K CA 0.017 56.184 56.287 -0.200 0.000 0.932 551 K CB 1.531 33.964 32.500 -0.111 0.000 1.032 551 K HN 0.820 nan 8.250 nan 0.000 0.466 552 G N 1.134 109.769 108.800 -0.274 0.000 2.682 552 G HA2 0.099 4.059 3.960 -0.000 0.000 0.303 552 G HA3 0.099 4.059 3.960 -0.000 0.000 0.303 552 G C -0.818 174.091 174.900 0.015 0.000 1.341 552 G CA -0.585 44.519 45.100 0.005 0.000 0.784 552 G HN 0.670 nan 8.290 nan 0.000 0.497 553 D N -1.497 119.005 120.400 0.169 0.000 2.349 553 D HA 0.091 4.731 4.640 -0.000 0.000 0.214 553 D C 0.978 177.360 176.300 0.137 0.000 1.063 553 D CA 0.191 54.263 54.000 0.119 0.000 0.847 553 D CB 0.071 40.940 40.800 0.115 0.000 0.933 553 D HN 0.274 nan 8.370 nan 0.000 0.513 554 N N -1.074 117.764 118.700 0.230 0.000 2.946 554 N HA -0.173 4.567 4.740 -0.000 0.000 0.228 554 N C -0.373 175.238 175.510 0.168 0.000 0.873 554 N CA 1.441 54.623 53.050 0.219 0.000 1.029 554 N CB -1.511 37.049 38.487 0.122 0.000 1.047 554 N HN 0.401 nan 8.380 nan 0.000 0.612 555 L N -0.778 120.531 121.223 0.144 0.000 2.439 555 L HA 0.560 4.900 4.340 -0.000 0.000 0.259 555 L C 0.584 177.522 176.870 0.113 0.000 1.129 555 L CA -0.962 53.945 54.840 0.112 0.000 0.803 555 L CB 0.123 42.238 42.059 0.092 0.000 1.161 555 L HN -0.082 nan 8.230 nan 0.000 0.462 556 I N 1.448 122.076 120.570 0.096 0.000 2.578 556 I HA 0.154 4.324 4.170 -0.000 0.000 0.286 556 I C 0.359 176.528 176.117 0.087 0.000 1.126 556 I CA 0.364 61.719 61.300 0.092 0.000 1.380 556 I CB -0.774 37.276 38.000 0.084 0.000 1.408 556 I HN 0.474 nan 8.210 nan 0.000 0.532 557 Q N 6.192 126.046 119.800 0.090 0.000 2.212 557 Q HA 0.593 4.933 4.340 -0.000 0.000 0.238 557 Q C -0.405 175.629 176.000 0.057 0.000 0.955 557 Q CA -0.444 55.406 55.803 0.078 0.000 0.906 557 Q CB 1.941 30.735 28.738 0.095 0.000 1.215 557 Q HN 0.541 nan 8.270 nan 0.000 0.478 558 M N 2.050 121.671 119.600 0.034 0.000 2.311 558 M HA 0.369 4.849 4.480 -0.000 0.000 0.325 558 M C -2.270 174.015 176.300 -0.024 0.000 1.061 558 M CA -1.964 53.344 55.300 0.013 0.000 0.957 558 M CB 1.529 34.140 32.600 0.018 0.000 1.646 558 M HN 0.133 nan 8.290 nan 0.000 0.434 559 P HA -0.091 nan 4.420 nan 0.000 0.265 559 P C 0.971 178.195 177.300 -0.128 0.000 1.167 559 P CA 1.373 64.425 63.100 -0.080 0.000 0.760 559 P CB 0.333 31.968 31.700 -0.109 0.000 0.783 560 G N 1.223 109.919 108.800 -0.173 0.000 2.216 560 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.269 560 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.269 560 G C 0.642 175.369 174.900 -0.288 0.000 0.981 560 G CA 0.480 45.434 45.100 -0.243 0.000 0.658 560 G HN 0.907 nan 8.290 nan 0.000 0.539 561 A N 0.054 122.746 122.820 -0.214 0.000 2.455 561 A HA 0.664 4.984 4.320 -0.000 0.000 0.244 561 A C 1.150 178.596 177.584 -0.228 0.000 1.099 561 A CA 0.978 52.880 52.037 -0.225 0.000 0.786 561 A CB 0.079 19.016 19.000 -0.104 0.000 1.051 561 A HN 2.089 nan 8.150 nan 0.000 0.508 562 A N 1.233 123.947 122.820 -0.176 0.000 2.440 562 A HA 0.577 4.897 4.320 -0.000 0.000 0.251 562 A C 0.130 177.777 177.584 0.106 0.000 1.089 562 A CA 0.168 52.255 52.037 0.082 0.000 0.779 562 A CB -0.021 19.089 19.000 0.183 0.000 1.022 562 A HN 0.774 nan 8.150 nan 0.000 0.492 563 M N 1.505 121.204 119.600 0.166 0.000 2.457 563 M HA 0.410 4.890 4.480 -0.000 0.000 0.300 563 M C -0.869 175.693 176.300 0.437 0.000 1.141 563 M CA -0.329 55.104 55.300 0.221 0.000 0.901 563 M CB 2.303 34.916 32.600 0.023 0.000 1.687 563 M HN 0.763 nan 8.290 nan 0.000 0.449 564 K N 3.749 124.356 120.400 0.346 0.000 2.450 564 K HA 0.721 5.041 4.320 -0.000 0.000 0.257 564 K C -1.165 175.565 176.600 0.216 0.000 0.953 564 K CA -0.388 56.048 56.287 0.249 0.000 0.844 564 K CB 1.688 34.286 32.500 0.163 0.000 1.103 564 K HN 0.684 nan 8.250 nan 0.000 0.429 565 I N -0.083 120.555 120.570 0.113 0.000 2.608 565 I HA 0.523 4.693 4.170 -0.000 0.000 0.295 565 I C -0.959 175.159 176.117 0.002 0.000 1.049 565 I CA -1.134 60.210 61.300 0.074 0.000 1.063 565 I CB 2.029 40.043 38.000 0.023 0.000 1.248 565 I HN 0.236 nan 8.210 nan 0.000 0.424 566 K N 5.436 125.842 120.400 0.010 0.000 2.130 566 K HA 0.650 4.970 4.320 -0.000 0.000 0.268 566 K C -1.129 175.450 176.600 -0.036 0.000 0.983 566 K CA -0.612 55.664 56.287 -0.018 0.000 0.893 566 K CB 2.188 34.680 32.500 -0.013 0.000 1.066 566 K HN 0.523 nan 8.250 nan 0.000 0.450 567 L N 3.085 124.281 121.223 -0.045 0.000 2.316 567 L HA 0.300 4.640 4.340 -0.000 0.000 0.280 567 L C -0.704 176.140 176.870 -0.044 0.000 1.006 567 L CA -0.382 54.427 54.840 -0.052 0.000 0.836 567 L CB 1.490 43.509 42.059 -0.066 0.000 1.221 567 L HN 0.647 nan 8.230 nan 0.000 0.418 568 E N 2.444 122.617 120.200 -0.045 0.000 2.151 568 E HA 0.658 5.008 4.350 -0.000 0.000 0.275 568 E C -0.092 176.483 176.600 -0.042 0.000 0.936 568 E CA -0.346 56.030 56.400 -0.040 0.000 0.777 568 E CB 2.398 32.074 29.700 -0.040 0.000 1.108 568 E HN 0.746 nan 8.360 nan 0.000 0.401 569 G N 2.618 111.396 108.800 -0.037 0.000 2.634 569 G HA2 0.203 4.163 3.960 -0.000 0.000 0.309 569 G HA3 0.203 4.163 3.960 -0.000 0.000 0.309 569 G C -1.475 173.405 174.900 -0.033 0.000 1.299 569 G CA -0.864 44.213 45.100 -0.039 0.000 0.798 569 G HN 0.420 nan 8.290 nan 0.000 0.490 570 D N 1.664 122.042 120.400 -0.037 0.000 2.350 570 D HA 0.458 5.098 4.640 -0.000 0.000 0.249 570 D C -2.234 174.053 176.300 -0.021 0.000 1.119 570 D CA -0.546 53.433 54.000 -0.034 0.000 0.886 570 D CB 1.199 41.969 40.800 -0.049 0.000 1.195 570 D HN 0.036 nan 8.370 nan 0.000 0.437 571 P HA 0.043 nan 4.420 nan 0.000 0.263 571 P C 0.964 178.265 177.300 0.002 0.000 1.175 571 P CA 0.581 63.677 63.100 -0.006 0.000 0.761 571 P CB 0.542 32.239 31.700 -0.005 0.000 0.794 572 G N 1.625 110.432 108.800 0.012 0.000 2.168 572 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.263 572 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.263 572 G C 0.462 175.390 174.900 0.047 0.000 0.977 572 G CA 0.077 45.193 45.100 0.028 0.000 0.659 572 G HN 0.869 nan 8.290 nan 0.000 0.533 573 A N 0.167 123.007 122.820 0.033 0.000 2.440 573 A HA 0.634 4.954 4.320 -0.000 0.000 0.251 573 A C 0.870 178.498 177.584 0.074 0.000 1.089 573 A CA 0.585 52.652 52.037 0.050 0.000 0.779 573 A CB 0.166 19.169 19.000 0.006 0.000 1.022 573 A HN 1.318 nan 8.150 nan 0.000 0.492 574 R N 2.001 122.584 120.500 0.138 0.000 2.229 574 R HA 0.558 4.898 4.340 -0.000 0.000 0.328 574 R C -1.520 174.850 176.300 0.116 0.000 1.009 574 R CA -0.388 55.791 56.100 0.133 0.000 0.864 574 R CB 0.797 31.200 30.300 0.172 0.000 1.085 574 R HN 0.298 nan 8.270 nan 0.000 0.453 575 V N 2.855 122.801 119.914 0.053 0.000 2.581 575 V HA 0.685 4.805 4.120 -0.000 0.000 0.303 575 V C 0.397 176.482 176.094 -0.016 0.000 1.041 575 V CA -0.668 61.638 62.300 0.011 0.000 0.907 575 V CB 1.951 33.750 31.823 -0.041 0.000 0.994 575 V HN 0.964 nan 8.190 nan 0.000 0.442 576 G N 3.781 112.561 108.800 -0.033 0.000 2.609 576 G HA2 0.718 4.678 3.960 -0.000 0.000 0.308 576 G HA3 0.718 4.678 3.960 -0.000 0.000 0.308 576 G C -1.261 173.480 174.900 -0.265 0.000 1.369 576 G CA -0.490 44.519 45.100 -0.151 0.000 0.958 576 G HN 0.558 nan 8.290 nan 0.000 0.499 577 L N 1.578 122.569 121.223 -0.386 0.000 2.330 577 L HA 0.853 5.193 4.340 -0.000 0.000 0.271 577 L C -0.483 176.094 176.870 -0.489 0.000 1.013 577 L CA -1.362 53.255 54.840 -0.372 0.000 0.816 577 L CB 2.339 44.197 42.059 -0.334 0.000 1.287 577 L HN 0.347 nan 8.230 nan 0.000 0.435 578 V N 1.203 120.888 119.914 -0.381 0.000 2.852 578 V HA 0.755 4.875 4.120 -0.000 0.000 0.300 578 V C -0.926 174.988 176.094 -0.301 0.000 1.205 578 V CA -0.280 61.833 62.300 -0.311 0.000 0.940 578 V CB 2.011 33.732 31.823 -0.171 0.000 1.047 578 V HN 0.884 nan 8.190 nan 0.000 0.429 579 A N 5.635 128.186 122.820 -0.449 0.000 2.310 579 A HA 0.909 5.229 4.320 -0.000 0.000 0.299 579 A C -0.842 176.618 177.584 -0.206 0.000 1.147 579 A CA -0.400 51.346 52.037 -0.486 0.000 0.818 579 A CB 1.483 19.817 19.000 -1.110 0.000 1.096 579 A HN 1.266 nan 8.150 nan 0.000 0.495 580 V N 1.807 121.774 119.914 0.088 0.000 2.971 580 V HA 0.249 4.369 4.120 -0.000 0.000 0.309 580 V C -0.832 175.581 176.094 0.532 0.000 1.130 580 V CA -0.883 61.599 62.300 0.303 0.000 0.964 580 V CB 2.153 34.048 31.823 0.121 0.000 1.029 580 V HN 0.989 nan 8.190 nan 0.000 0.427 581 D N 3.133 123.863 120.400 0.548 0.000 2.371 581 D HA 0.105 4.745 4.640 -0.000 0.000 0.256 581 D C 1.211 177.566 176.300 0.092 0.000 1.193 581 D CA 0.096 54.197 54.000 0.167 0.000 0.881 581 D CB 1.103 41.907 40.800 0.007 0.000 1.143 581 D HN 0.442 nan 8.370 nan 0.000 0.473 582 K N 3.082 123.508 120.400 0.045 0.000 2.148 582 K HA -0.309 4.011 4.320 -0.000 0.000 0.213 582 K C 1.606 178.218 176.600 0.020 0.000 1.050 582 K CA 1.494 57.830 56.287 0.082 0.000 0.932 582 K CB -0.405 32.107 32.500 0.020 0.000 0.717 582 K HN 0.614 nan 8.250 nan 0.000 0.462 583 A N 1.042 123.827 122.820 -0.058 0.000 2.127 583 A HA -0.303 4.017 4.320 -0.000 0.000 0.225 583 A C 2.301 179.834 177.584 -0.085 0.000 1.543 583 A CA 2.934 54.904 52.037 -0.112 0.000 0.873 583 A CB -1.358 17.564 19.000 -0.130 0.000 0.808 583 A HN 0.111 nan 8.150 nan 0.000 0.510 584 V N -1.451 118.434 119.914 -0.048 0.000 2.236 584 V HA -0.362 3.758 4.120 -0.000 0.000 0.255 584 V C 2.392 178.517 176.094 0.051 0.000 1.068 584 V CA 2.865 65.154 62.300 -0.020 0.000 1.044 584 V CB -1.132 30.701 31.823 0.017 0.000 0.653 584 V HN 0.701 nan 8.190 nan 0.000 0.448 585 Y N -0.196 120.084 120.300 -0.033 0.000 2.298 585 Y HA -0.207 4.343 4.550 -0.000 0.000 0.287 585 Y C 2.232 178.106 175.900 -0.043 0.000 1.164 585 Y CA 1.580 59.671 58.100 -0.016 0.000 1.229 585 Y CB -0.373 38.094 38.460 0.013 0.000 0.977 585 Y HN 0.058 nan 8.280 nan 0.000 0.538 586 V N -0.577 119.254 119.914 -0.139 0.000 2.300 586 V HA -0.236 3.884 4.120 -0.000 0.000 0.241 586 V C 2.423 178.397 176.094 -0.200 0.000 1.034 586 V CA 1.550 63.701 62.300 -0.248 0.000 1.021 586 V CB -0.627 31.075 31.823 -0.203 0.000 0.662 586 V HN 0.340 nan 8.190 nan 0.000 0.458 587 L N 0.205 121.329 121.223 -0.166 0.000 2.064 587 L HA -0.218 4.122 4.340 -0.000 0.000 0.216 587 L C 1.219 178.003 176.870 -0.143 0.000 1.077 587 L CA 1.617 56.363 54.840 -0.156 0.000 0.766 587 L CB -0.368 41.590 42.059 -0.168 0.000 0.890 587 L HN 0.344 nan 8.230 nan 0.000 0.435 588 N N -0.188 118.436 118.700 -0.126 0.000 2.776 588 N HA 0.055 4.795 4.740 -0.000 0.000 0.245 588 N C -0.239 175.170 175.510 -0.169 0.000 1.121 588 N CA -0.175 52.769 53.050 -0.178 0.000 0.852 588 N CB 0.955 39.308 38.487 -0.224 0.000 1.142 588 N HN 0.065 nan 8.380 nan 0.000 0.514 589 D N 1.285 121.581 120.400 -0.174 0.000 2.077 589 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 589 D C 1.679 177.936 176.300 -0.073 0.000 0.986 589 D CA 1.226 55.153 54.000 -0.121 0.000 0.829 589 D CB 0.311 41.040 40.800 -0.118 0.000 0.983 589 D HN 0.458 nan 8.370 nan 0.000 0.453 590 K N -0.219 120.111 120.400 -0.116 0.000 2.173 590 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 590 K C 1.876 178.605 176.600 0.216 0.000 1.046 590 K CA 1.270 57.570 56.287 0.021 0.000 0.929 590 K CB -0.107 32.424 32.500 0.053 0.000 0.720 590 K HN 0.144 nan 8.250 nan 0.000 0.453 591 Y N 0.733 121.098 120.300 0.109 0.000 2.365 591 Y HA 0.086 4.636 4.550 -0.000 0.000 0.293 591 Y C 0.725 176.689 175.900 0.107 0.000 1.119 591 Y CA 0.103 58.278 58.100 0.126 0.000 1.203 591 Y CB -0.638 37.933 38.460 0.185 0.000 1.026 591 Y HN -0.028 nan 8.280 nan 0.000 0.549 592 K N 3.013 123.562 120.400 0.247 0.000 2.466 592 K HA -0.030 4.290 4.320 -0.000 0.000 0.278 592 K C 0.450 177.125 176.600 0.126 0.000 1.048 592 K CA -0.083 56.322 56.287 0.196 0.000 1.088 592 K CB -0.013 32.609 32.500 0.203 0.000 0.884 592 K HN 0.321 nan 8.250 nan 0.000 0.478 593 I N 2.351 122.980 120.570 0.099 0.000 2.752 593 I HA 0.025 4.195 4.170 -0.000 0.000 0.287 593 I C -0.397 175.693 176.117 -0.045 0.000 1.188 593 I CA 0.452 61.751 61.300 -0.002 0.000 1.427 593 I CB 0.761 38.754 38.000 -0.011 0.000 1.365 593 I HN 0.775 nan 8.210 nan 0.000 0.585 594 S N 4.075 119.697 115.700 -0.130 0.000 2.570 594 S HA 0.223 4.693 4.470 -0.000 0.000 0.270 594 S C 0.306 174.781 174.600 -0.208 0.000 1.149 594 S CA -0.638 57.490 58.200 -0.119 0.000 0.837 594 S CB 1.784 64.960 63.200 -0.039 0.000 1.124 594 S HN 0.763 nan 8.310 nan 0.000 0.465 595 Q N 1.783 121.478 119.800 -0.174 0.000 2.082 595 Q HA -0.104 4.236 4.340 -0.000 0.000 0.211 595 Q C 2.282 178.178 176.000 -0.173 0.000 1.002 595 Q CA 3.232 58.905 55.803 -0.216 0.000 0.868 595 Q CB -1.242 27.446 28.738 -0.084 0.000 0.931 595 Q HN 1.002 nan 8.270 nan 0.000 0.414 596 A N 0.555 123.345 122.820 -0.050 0.000 1.863 596 A HA -0.349 3.971 4.320 -0.000 0.000 0.218 596 A C 2.015 179.583 177.584 -0.026 0.000 1.233 596 A CA 2.562 54.610 52.037 0.019 0.000 0.655 596 A CB -0.831 18.182 19.000 0.022 0.000 0.839 596 A HN 0.492 nan 8.150 nan 0.000 0.454 597 K N -0.555 119.789 120.400 -0.093 0.000 2.103 597 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 597 K C 1.897 178.345 176.600 -0.252 0.000 1.048 597 K CA 1.419 57.636 56.287 -0.117 0.000 0.930 597 K CB -0.419 32.018 32.500 -0.104 0.000 0.716 597 K HN 0.555 nan 8.250 nan 0.000 0.444 598 I N -0.068 120.207 120.570 -0.491 0.000 2.069 598 I HA -0.334 3.836 4.170 -0.000 0.000 0.237 598 I C 2.191 178.159 176.117 -0.247 0.000 1.053 598 I CA 1.948 62.812 61.300 -0.725 0.000 1.311 598 I CB -0.579 36.888 38.000 -0.888 0.000 1.030 598 I HN 0.380 nan 8.210 nan 0.000 0.398 599 W N 1.165 122.403 121.300 -0.104 0.000 2.358 599 W HA -0.227 4.432 4.660 -0.000 0.000 0.303 599 W C 2.456 178.954 176.519 -0.036 0.000 1.208 599 W CA 0.432 57.749 57.345 -0.048 0.000 1.274 599 W CB -0.356 29.078 29.460 -0.044 0.000 1.138 599 W HN 0.207 nan 8.180 nan 0.000 0.515 600 D N -0.407 120.113 120.400 0.200 0.000 2.106 600 D HA -0.179 4.461 4.640 -0.000 0.000 0.191 600 D C 1.988 178.339 176.300 0.085 0.000 0.997 600 D CA 2.217 56.294 54.000 0.129 0.000 0.834 600 D CB -1.083 39.769 40.800 0.087 0.000 0.956 600 D HN 0.050 nan 8.370 nan 0.000 0.448 601 T N 1.258 115.828 114.554 0.025 0.000 2.822 601 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 601 T C 2.044 176.618 174.700 -0.210 0.000 1.064 601 T CA 0.621 62.688 62.100 -0.054 0.000 1.131 601 T CB -0.019 68.827 68.868 -0.036 0.000 0.858 601 T HN 0.213 nan 8.240 nan 0.000 0.483 602 I N 0.569 121.073 120.570 -0.110 0.000 2.296 602 I HA -0.018 4.152 4.170 -0.000 0.000 0.242 602 I C 2.632 178.880 176.117 0.219 0.000 1.087 602 I CA 0.983 62.264 61.300 -0.031 0.000 1.393 602 I CB -0.747 37.453 38.000 0.333 0.000 1.093 602 I HN 0.256 nan 8.210 nan 0.000 0.421 603 E N 2.026 122.354 120.200 0.213 0.000 2.114 603 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 603 E C 1.336 178.014 176.600 0.130 0.000 1.008 603 E CA 1.320 57.823 56.400 0.171 0.000 0.810 603 E CB 0.067 29.863 29.700 0.160 0.000 0.739 603 E HN 0.320 nan 8.360 nan 0.000 0.456 604 K N 0.426 120.890 120.400 0.107 0.000 2.809 604 K HA -0.069 4.251 4.320 -0.000 0.000 0.224 604 K C 1.377 178.012 176.600 0.059 0.000 0.946 604 K CA 0.798 57.127 56.287 0.071 0.000 1.059 604 K CB -0.108 32.431 32.500 0.064 0.000 0.877 604 K HN 0.153 nan 8.250 nan 0.000 0.478 605 S N -0.345 115.387 115.700 0.053 0.000 2.613 605 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 605 S C 0.471 174.863 174.600 -0.347 0.000 1.073 605 S CA -0.356 57.778 58.200 -0.110 0.000 0.899 605 S CB -0.076 63.130 63.200 0.009 0.000 0.818 605 S HN 0.370 nan 8.310 nan 0.000 0.484 606 D N 2.244 122.563 120.400 -0.135 0.000 2.451 606 D HA -0.041 4.599 4.640 -0.000 0.000 0.254 606 D C 0.156 176.380 176.300 -0.128 0.000 1.204 606 D CA -0.351 53.588 54.000 -0.103 0.000 0.896 606 D CB -0.081 40.776 40.800 0.094 0.000 1.136 606 D HN 0.287 nan 8.370 nan 0.000 0.499 607 F N 2.179 122.161 119.950 0.054 0.000 2.529 607 F HA 0.082 4.609 4.527 -0.000 0.000 0.297 607 F C 2.267 178.077 175.800 0.017 0.000 1.114 607 F CA 0.666 58.683 58.000 0.028 0.000 1.467 607 F CB -0.587 38.421 39.000 0.014 0.000 1.096 607 F HN 0.483 nan 8.300 nan 0.000 0.586 608 G N -1.111 107.783 108.800 0.157 0.000 2.794 608 G HA2 0.100 4.059 3.960 -0.000 0.000 0.249 608 G HA3 0.100 4.059 3.960 -0.000 0.000 0.249 608 G C 0.456 175.361 174.900 0.009 0.000 1.236 608 G CA 0.148 45.296 45.100 0.079 0.000 0.880 608 G HN 0.408 nan 8.290 nan 0.000 0.586 609 c N -1.441 117.136 118.600 -0.038 0.000 4.272 609 c HA 0.418 4.988 4.570 -0.000 0.000 0.504 609 c C 0.887 174.900 174.090 -0.128 0.000 1.555 609 c CA 0.691 56.979 56.329 -0.068 0.000 2.276 609 c CB -0.622 41.880 42.510 -0.014 0.000 3.414 609 c HN 1.107 nan 8.230 nan 0.000 0.636 610 T N -2.505 111.965 114.554 -0.140 0.000 2.841 610 T HA 0.643 4.993 4.350 -0.000 0.000 0.296 610 T C 0.868 175.454 174.700 -0.191 0.000 1.166 610 T CA 0.374 62.375 62.100 -0.164 0.000 1.007 610 T CB 1.379 70.189 68.868 -0.096 0.000 1.253 610 T HN 0.066 nan 8.240 nan 0.000 0.511 611 A N 0.266 122.987 122.820 -0.165 0.000 2.032 611 A HA 0.494 4.814 4.320 -0.000 0.000 0.221 611 A C 1.473 179.080 177.584 0.039 0.000 1.165 611 A CA 1.591 53.577 52.037 -0.085 0.000 0.645 611 A CB -1.278 17.720 19.000 -0.003 0.000 0.807 611 A HN 2.176 nan 8.150 nan 0.000 0.453 612 G N -2.892 105.925 108.800 0.029 0.000 2.369 612 G HA2 0.495 4.455 3.960 -0.000 0.000 0.307 612 G HA3 0.495 4.455 3.960 -0.000 0.000 0.307 612 G C 0.079 175.030 174.900 0.084 0.000 1.327 612 G CA 0.185 45.325 45.100 0.066 0.000 0.963 612 G HN 2.144 nan 8.290 nan 0.000 0.590 613 S N -2.262 113.470 115.700 0.053 0.000 3.716 613 S HA 0.428 4.898 4.470 -0.000 0.000 0.741 613 S C 0.749 175.404 174.600 0.093 0.000 1.683 613 S CA 1.394 59.601 58.200 0.012 0.000 1.667 613 S CB -0.946 62.278 63.200 0.040 0.000 0.373 613 S HN 2.795 nan 8.310 nan 0.000 0.933 614 G N 0.280 108.998 108.800 -0.137 0.000 3.211 614 G HA2 0.570 4.530 3.960 -0.000 0.000 0.262 614 G HA3 0.570 4.530 3.960 -0.000 0.000 0.262 614 G C 0.297 174.529 174.900 -1.112 0.000 1.352 614 G CA 0.120 45.067 45.100 -0.255 0.000 1.004 614 G HN 0.751 nan 8.290 nan 0.000 0.559 615 Q N -0.560 118.639 119.800 -1.003 0.000 2.119 615 Q HA -0.035 4.305 4.340 -0.000 0.000 0.201 615 Q C 0.489 176.226 176.000 -0.439 0.000 0.972 615 Q CA 1.675 56.923 55.803 -0.925 0.000 0.847 615 Q CB -0.048 28.451 28.738 -0.398 0.000 0.903 615 Q HN 0.678 nan 8.270 nan 0.000 0.433 616 N N -1.963 116.577 118.700 -0.266 0.000 3.308 616 N HA -0.020 4.720 4.740 -0.000 0.000 0.276 616 N C 0.052 175.624 175.510 0.103 0.000 1.533 616 N CA -0.160 52.967 53.050 0.129 0.000 0.878 616 N CB -0.103 38.434 38.487 0.084 0.000 1.566 616 N HN -0.222 nan 8.380 nan 0.000 0.546 617 N N 0.337 119.249 118.700 0.353 0.000 2.069 617 N HA -0.141 4.599 4.740 -0.000 0.000 0.191 617 N C 1.286 176.877 175.510 0.134 0.000 1.031 617 N CA 1.498 54.708 53.050 0.266 0.000 0.852 617 N CB -0.658 37.985 38.487 0.261 0.000 1.018 617 N HN 0.550 nan 8.380 nan 0.000 0.423 618 L N 0.116 121.351 121.223 0.020 0.000 1.990 618 L HA -0.139 4.201 4.340 -0.000 0.000 0.213 618 L C 2.602 179.520 176.870 0.079 0.000 1.072 618 L CA 1.849 56.672 54.840 -0.028 0.000 0.755 618 L CB -1.168 40.863 42.059 -0.045 0.000 0.889 618 L HN 0.467 nan 8.230 nan 0.000 0.432 619 G N -0.836 107.981 108.800 0.029 0.000 2.505 619 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 619 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 619 G C 1.587 176.516 174.900 0.049 0.000 1.145 619 G CA 1.064 46.165 45.100 0.002 0.000 0.761 619 G HN 0.242 nan 8.290 nan 0.000 0.571 620 V N 0.370 120.323 119.914 0.065 0.000 2.231 620 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 620 V C 2.562 178.731 176.094 0.124 0.000 1.054 620 V CA 2.191 64.533 62.300 0.070 0.000 1.015 620 V CB -0.651 31.202 31.823 0.050 0.000 0.638 620 V HN 0.445 nan 8.190 nan 0.000 0.444 621 F N 0.211 120.167 119.950 0.010 0.000 2.126 621 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 621 F C 2.394 178.205 175.800 0.020 0.000 1.096 621 F CA 1.805 59.823 58.000 0.030 0.000 1.255 621 F CB -0.405 38.613 39.000 0.029 0.000 0.997 621 F HN 0.236 nan 8.300 nan 0.000 0.479 622 E N 0.502 120.828 120.200 0.209 0.000 2.007 622 E HA -0.247 4.103 4.350 -0.000 0.000 0.203 622 E C 1.771 178.420 176.600 0.082 0.000 1.020 622 E CA 1.746 58.210 56.400 0.107 0.000 0.845 622 E CB -0.394 29.347 29.700 0.069 0.000 0.779 622 E HN 0.302 nan 8.360 nan 0.000 0.466 623 D N 0.140 120.585 120.400 0.075 0.000 2.221 623 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 623 D C 1.518 177.847 176.300 0.048 0.000 0.982 623 D CA 1.279 55.316 54.000 0.061 0.000 0.857 623 D CB -0.180 40.668 40.800 0.080 0.000 0.934 623 D HN 0.222 nan 8.370 nan 0.000 0.475 624 A N -0.521 122.326 122.820 0.045 0.000 2.218 624 A HA 0.456 4.776 4.320 -0.000 0.000 0.209 624 A C 1.359 178.984 177.584 0.069 0.000 1.168 624 A CA 0.817 52.877 52.037 0.039 0.000 0.804 624 A CB -0.040 18.956 19.000 -0.006 0.000 0.834 624 A HN 0.238 nan 8.150 nan 0.000 0.482 625 G N -0.871 107.977 108.800 0.079 0.000 2.842 625 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.242 625 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.242 625 G C -0.612 174.332 174.900 0.074 0.000 1.135 625 G CA 0.019 45.181 45.100 0.104 0.000 1.048 625 G HN 0.574 nan 8.290 nan 0.000 0.530 626 L N -0.807 120.459 121.223 0.071 0.000 2.622 626 L HA 0.886 5.226 4.340 -0.000 0.000 0.258 626 L C 0.167 177.095 176.870 0.098 0.000 0.996 626 L CA -0.604 54.290 54.840 0.090 0.000 0.858 626 L CB 2.061 44.213 42.059 0.155 0.000 1.449 626 L HN 0.783 nan 8.230 nan 0.000 0.411 627 A N 1.379 124.241 122.820 0.069 0.000 2.384 627 A HA 0.974 5.294 4.320 -0.000 0.000 0.312 627 A C -1.739 175.885 177.584 0.067 0.000 1.113 627 A CA -0.481 51.581 52.037 0.040 0.000 0.779 627 A CB 1.984 20.962 19.000 -0.035 0.000 1.307 627 A HN 0.537 nan 8.150 nan 0.000 0.436 628 L N -0.053 121.174 121.223 0.006 0.000 2.513 628 L HA 0.761 5.101 4.340 -0.000 0.000 0.261 628 L C -0.818 176.011 176.870 -0.069 0.000 0.945 628 L CA 0.321 55.137 54.840 -0.039 0.000 0.848 628 L CB 2.231 44.179 42.059 -0.186 0.000 1.334 628 L HN 0.682 nan 8.230 nan 0.000 0.407 629 T N 2.503 117.032 114.554 -0.042 0.000 2.886 629 T HA 0.810 5.160 4.350 -0.000 0.000 0.292 629 T C -0.887 173.801 174.700 -0.020 0.000 1.012 629 T CA -0.136 61.946 62.100 -0.031 0.000 0.982 629 T CB 1.491 70.359 68.868 0.000 0.000 1.018 629 T HN 0.864 nan 8.240 nan 0.000 0.451 630 T N -0.938 113.601 114.554 -0.026 0.000 2.907 630 T HA 0.461 4.811 4.350 -0.000 0.000 0.292 630 T C 1.646 176.368 174.700 0.037 0.000 1.043 630 T CA -0.193 61.907 62.100 0.000 0.000 1.003 630 T CB 1.520 70.351 68.868 -0.062 0.000 1.084 630 T HN 0.475 nan 8.240 nan 0.000 0.483 631 S N 1.036 116.795 115.700 0.098 0.000 2.389 631 S HA -0.222 4.248 4.470 -0.000 0.000 0.231 631 S C 1.721 176.355 174.600 0.057 0.000 1.052 631 S CA 1.887 60.166 58.200 0.131 0.000 1.053 631 S CB -1.747 61.601 63.200 0.246 0.000 0.886 631 S HN 1.233 nan 8.310 nan 0.000 0.456 632 T N -1.091 113.472 114.554 0.015 0.000 3.473 632 T HA 0.286 4.636 4.350 -0.000 0.000 0.247 632 T C 0.187 174.875 174.700 -0.021 0.000 1.010 632 T CA -0.044 62.049 62.100 -0.012 0.000 0.940 632 T CB -1.486 67.358 68.868 -0.041 0.000 1.068 632 T HN 0.431 nan 8.240 nan 0.000 0.604 633 N N 0.347 119.042 118.700 -0.010 0.000 2.698 633 N HA -0.141 4.599 4.740 -0.000 0.000 0.258 633 N C -0.868 174.622 175.510 -0.033 0.000 0.978 633 N CA 0.362 53.403 53.050 -0.015 0.000 0.777 633 N CB -1.107 37.376 38.487 -0.007 0.000 0.907 633 N HN 0.552 nan 8.380 nan 0.000 0.543 634 L N 0.466 121.657 121.223 -0.052 0.000 2.287 634 L HA 0.594 4.934 4.340 -0.000 0.000 0.287 634 L C -0.729 176.089 176.870 -0.086 0.000 1.022 634 L CA -0.587 54.208 54.840 -0.075 0.000 0.814 634 L CB 1.205 43.202 42.059 -0.104 0.000 1.217 634 L HN 0.103 nan 8.230 nan 0.000 0.420 635 N N 1.747 120.402 118.700 -0.075 0.000 2.242 635 N HA 0.436 5.176 4.740 -0.000 0.000 0.292 635 N C -0.843 174.626 175.510 -0.069 0.000 1.125 635 N CA -0.424 52.584 53.050 -0.071 0.000 0.783 635 N CB 1.986 40.448 38.487 -0.042 0.000 1.558 635 N HN 0.692 nan 8.380 nan 0.000 0.472 636 T N -1.104 113.409 114.554 -0.068 0.000 2.856 636 T HA 0.258 4.608 4.350 -0.000 0.000 0.306 636 T C 0.624 175.304 174.700 -0.033 0.000 1.062 636 T CA -0.231 61.843 62.100 -0.043 0.000 1.083 636 T CB 0.568 69.424 68.868 -0.019 0.000 0.984 636 T HN 0.148 nan 8.240 nan 0.000 0.542 637 K N 1.244 121.631 120.400 -0.022 0.000 2.455 637 K HA 0.063 4.383 4.320 -0.000 0.000 0.269 637 K C 0.696 177.275 176.600 -0.036 0.000 0.972 637 K CA 0.057 56.332 56.287 -0.021 0.000 0.938 637 K CB 0.164 32.657 32.500 -0.010 0.000 0.931 637 K HN 0.542 nan 8.250 nan 0.000 0.507 638 Q N 2.210 121.990 119.800 -0.034 0.000 2.286 638 Q HA 0.011 4.351 4.340 -0.000 0.000 0.267 638 Q C -0.430 175.526 176.000 -0.073 0.000 1.028 638 Q CA 0.035 55.804 55.803 -0.056 0.000 0.901 638 Q CB 0.756 29.481 28.738 -0.022 0.000 1.183 638 Q HN 0.294 nan 8.270 nan 0.000 0.392 639 R N 1.664 122.083 120.500 -0.135 0.000 2.522 639 R HA 0.021 4.361 4.340 -0.000 0.000 0.284 639 R C 0.816 177.024 176.300 -0.152 0.000 1.032 639 R CA 0.636 56.645 56.100 -0.152 0.000 1.049 639 R CB 0.323 30.486 30.300 -0.228 0.000 0.956 639 R HN 0.531 nan 8.270 nan 0.000 0.422 640 S N 2.445 118.103 115.700 -0.070 0.000 2.336 640 S HA 0.333 4.803 4.470 -0.000 0.000 0.216 640 S C -0.080 174.508 174.600 -0.021 0.000 1.032 640 S CA 0.907 59.097 58.200 -0.016 0.000 0.973 640 S CB -0.109 63.102 63.200 0.019 0.000 0.888 640 S HN 0.903 nan 8.310 nan 0.000 0.455 641 A N -1.067 121.740 122.820 -0.022 0.000 2.435 641 A HA 0.543 4.863 4.320 -0.000 0.000 0.302 641 A C 0.442 178.065 177.584 0.065 0.000 0.914 641 A CA -0.294 51.743 52.037 -0.001 0.000 0.541 641 A CB -0.951 18.074 19.000 0.042 0.000 1.493 641 A HN 1.556 nan 8.150 nan 0.000 0.528 642 A N -0.113 122.776 122.820 0.116 0.000 5.393 642 A HA -0.234 4.086 4.320 -0.000 0.000 0.342 642 A C 1.044 178.709 177.584 0.135 0.000 1.698 642 A CA 2.710 54.832 52.037 0.142 0.000 0.727 642 A CB -1.988 17.076 19.000 0.106 0.000 1.446 642 A HN 1.762 nan 8.150 nan 0.000 0.408 643 K N -1.586 118.868 120.400 0.090 0.000 2.410 643 K HA 0.322 4.642 4.320 -0.000 0.000 0.259 643 K C -0.101 176.537 176.600 0.064 0.000 1.099 643 K CA 0.656 56.984 56.287 0.067 0.000 0.844 643 K CB -0.163 32.366 32.500 0.048 0.000 1.096 643 K HN 0.826 nan 8.250 nan 0.000 0.504 644 c N 1.105 119.729 118.600 0.041 0.000 2.797 644 c HA 0.348 4.918 4.570 -0.000 0.000 0.306 644 c C -2.489 171.614 174.090 0.021 0.000 1.207 644 c CA -1.642 54.707 56.329 0.033 0.000 1.507 644 c CB 1.038 43.563 42.510 0.025 0.000 2.028 644 c HN 0.661 nan 8.230 nan 0.000 0.475 645 P HA 0.108 nan 4.420 nan 0.000 0.261 645 P C -0.464 176.840 177.300 0.008 0.000 1.203 645 P CA 0.486 63.596 63.100 0.017 0.000 0.767 645 P CB 0.412 32.123 31.700 0.019 0.000 0.785 646 Q N 4.027 123.830 119.800 0.005 0.000 2.524 646 Q HA 0.130 4.470 4.340 -0.000 0.000 0.246 646 Q C -1.599 174.398 176.000 -0.005 0.000 1.063 646 Q CA -0.433 55.368 55.803 -0.004 0.000 0.945 646 Q CB -1.038 27.699 28.738 -0.001 0.000 1.292 646 Q HN 0.410 nan 8.270 nan 0.000 0.518 647 P HA -0.218 nan 4.420 nan 0.000 0.210 647 P C -1.605 175.691 177.300 -0.006 0.000 0.974 647 P CA 0.937 64.028 63.100 -0.016 0.000 0.899 647 P CB -0.576 31.116 31.700 -0.014 0.000 0.907 736 E N 1.275 121.502 120.200 0.045 0.000 2.849 736 E HA -0.089 4.261 4.350 -0.000 0.000 0.288 736 E C 0.404 176.961 176.600 -0.071 0.000 1.469 736 E CA 0.859 57.296 56.400 0.062 0.000 1.339 736 E CB 0.241 29.983 29.700 0.071 0.000 0.972 736 E HN 0.202 nan 8.360 nan 0.000 0.619 737 D N -1.731 118.651 120.400 -0.031 0.000 3.164 737 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 737 D C 1.047 177.238 176.300 -0.182 0.000 1.437 737 D CA 2.078 56.031 54.000 -0.078 0.000 2.125 737 D CB -1.585 39.165 40.800 -0.083 0.000 1.321 737 D HN 0.554 nan 8.370 nan 0.000 0.465 738 G N -0.586 107.961 108.800 -0.421 0.000 3.028 738 G HA2 0.306 4.266 3.960 -0.000 0.000 0.205 738 G HA3 0.306 4.266 3.960 -0.000 0.000 0.205 738 G C 0.251 174.761 174.900 -0.651 0.000 1.182 738 G CA 0.622 45.378 45.100 -0.573 0.000 0.860 738 G HN 0.305 nan 8.290 nan 0.000 0.507 739 F N -1.618 118.346 119.950 0.024 0.000 2.764 739 F HA 0.633 5.160 4.527 -0.000 0.000 0.347 739 F C -0.225 175.581 175.800 0.011 0.000 1.151 739 F CA -1.940 56.075 58.000 0.025 0.000 1.021 739 F CB 0.760 39.787 39.000 0.044 0.000 1.438 739 F HN -0.298 nan 8.300 nan 0.000 0.516 740 I N 1.459 122.180 120.570 0.253 0.000 2.353 740 I HA 0.484 4.654 4.170 -0.000 0.000 0.293 740 I C 0.152 176.341 176.117 0.120 0.000 0.992 740 I CA -0.770 60.608 61.300 0.129 0.000 1.268 740 I CB 0.756 38.812 38.000 0.092 0.000 1.387 740 I HN 0.587 nan 8.210 nan 0.000 0.478 741 A N 4.971 127.843 122.820 0.086 0.000 2.488 741 A HA 0.099 4.419 4.320 -0.000 0.000 0.249 741 A C 1.381 179.003 177.584 0.065 0.000 1.083 741 A CA -0.091 51.991 52.037 0.075 0.000 0.768 741 A CB -0.042 18.991 19.000 0.055 0.000 1.017 741 A HN 0.848 nan 8.150 nan 0.000 0.496 742 D N 2.659 123.098 120.400 0.064 0.000 2.218 742 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 742 D C 1.545 177.874 176.300 0.049 0.000 0.976 742 D CA 1.832 55.867 54.000 0.058 0.000 0.853 742 D CB -0.416 40.418 40.800 0.058 0.000 0.939 742 D HN 0.531 nan 8.370 nan 0.000 0.481 743 S N -0.570 115.157 115.700 0.044 0.000 2.493 743 S HA -0.131 4.339 4.470 -0.000 0.000 0.243 743 S C 1.062 175.680 174.600 0.031 0.000 0.991 743 S CA 1.058 59.279 58.200 0.035 0.000 0.957 743 S CB 0.008 63.227 63.200 0.031 0.000 0.756 743 S HN 0.147 nan 8.310 nan 0.000 0.521 744 D N 0.230 120.651 120.400 0.035 0.000 2.417 744 D HA 0.340 4.980 4.640 -0.000 0.000 0.207 744 D C 0.124 176.444 176.300 0.034 0.000 1.075 744 D CA -0.134 53.884 54.000 0.029 0.000 0.851 744 D CB 0.212 41.028 40.800 0.026 0.000 0.976 744 D HN 0.373 nan 8.370 nan 0.000 0.505 745 I N 3.364 123.961 120.570 0.046 0.000 2.379 745 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 745 I C -0.312 175.831 176.117 0.044 0.000 1.063 745 I CA -0.324 61.009 61.300 0.055 0.000 1.351 745 I CB 0.362 38.404 38.000 0.071 0.000 1.410 745 I HN -0.107 nan 8.210 nan 0.000 0.505 746 I N 4.929 125.520 120.570 0.035 0.000 2.321 746 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 746 I C 0.093 176.222 176.117 0.019 0.000 0.998 746 I CA -0.426 60.886 61.300 0.020 0.000 1.227 746 I CB 0.867 38.868 38.000 0.002 0.000 1.368 746 I HN 0.356 nan 8.210 nan 0.000 0.466 747 S N 6.402 122.115 115.700 0.022 0.000 2.545 747 S HA 0.445 4.915 4.470 -0.000 0.000 0.275 747 S C 0.266 174.865 174.600 -0.002 0.000 1.299 747 S CA -0.854 57.364 58.200 0.029 0.000 1.048 747 S CB 0.960 64.187 63.200 0.045 0.000 0.938 747 S HN 0.581 nan 8.310 nan 0.000 0.496 748 R N 1.483 121.980 120.500 -0.005 0.000 2.489 748 R HA 0.192 4.532 4.340 -0.000 0.000 0.287 748 R C 1.002 177.267 176.300 -0.058 0.000 1.053 748 R CA 0.337 56.376 56.100 -0.101 0.000 1.036 748 R CB 0.410 30.648 30.300 -0.103 0.000 0.966 748 R HN 0.953 nan 8.270 nan 0.000 0.432 749 S N -0.052 115.511 115.700 -0.228 0.000 2.648 749 S HA 0.001 4.471 4.470 -0.000 0.000 0.270 749 S C 0.028 174.487 174.600 -0.234 0.000 1.080 749 S CA -0.434 57.740 58.200 -0.045 0.000 1.159 749 S CB 0.536 63.728 63.200 -0.013 0.000 1.091 749 S HN 0.528 nan 8.310 nan 0.000 0.605 750 D N 1.099 121.117 120.400 -0.636 0.000 2.373 750 D HA 0.468 5.108 4.640 -0.000 0.000 0.227 750 D C -1.654 174.174 176.300 -0.787 0.000 1.091 750 D CA -0.412 53.283 54.000 -0.509 0.000 0.840 750 D CB 0.470 41.059 40.800 -0.352 0.000 1.060 750 D HN 0.316 nan 8.370 nan 0.000 0.502 751 F N 5.004 124.930 119.950 -0.040 0.000 2.949 751 F HA 0.304 4.831 4.527 -0.000 0.000 0.376 751 F C -1.771 174.050 175.800 0.036 0.000 1.205 751 F CA -1.374 56.630 58.000 0.006 0.000 1.155 751 F CB 1.391 40.383 39.000 -0.014 0.000 1.495 751 F HN 0.116 nan 8.300 nan 0.000 0.551 752 P HA 0.425 nan 4.420 nan 0.000 0.312 752 P C -0.255 177.239 177.300 0.322 0.000 1.308 752 P CA -0.268 62.945 63.100 0.189 0.000 0.743 752 P CB 1.794 33.550 31.700 0.092 0.000 1.364 753 K N -1.583 118.992 120.400 0.291 0.000 2.511 753 K HA 0.186 4.506 4.320 -0.000 0.000 0.206 753 K C 0.061 176.893 176.600 0.386 0.000 1.333 753 K CA 0.141 56.606 56.287 0.298 0.000 0.957 753 K CB 0.536 33.098 32.500 0.103 0.000 1.172 753 K HN 0.501 nan 8.250 nan 0.000 0.547 754 S N 0.741 116.639 115.700 0.329 0.000 2.614 754 S HA 0.628 5.098 4.470 -0.000 0.000 0.275 754 S C -1.295 173.512 174.600 0.344 0.000 1.161 754 S CA -1.069 57.317 58.200 0.310 0.000 0.969 754 S CB 1.143 64.456 63.200 0.188 0.000 1.059 754 S HN 0.318 nan 8.310 nan 0.000 0.482 755 W N 1.684 122.967 121.300 -0.030 0.000 3.025 755 W HA 0.726 5.386 4.660 -0.000 0.000 0.343 755 W C -0.851 175.653 176.519 -0.024 0.000 1.246 755 W CA -1.532 55.782 57.345 -0.052 0.000 1.178 755 W CB 0.171 29.521 29.460 -0.183 0.000 1.463 755 W HN 1.173 nan 8.180 nan 0.000 0.578 756 L N 1.340 122.563 121.223 -0.001 0.000 3.783 756 L HA -0.178 4.162 4.340 -0.000 0.000 0.409 756 L C -0.290 176.505 176.870 -0.125 0.000 1.223 756 L CA -0.203 54.507 54.840 -0.218 0.000 0.888 756 L CB -1.581 40.015 42.059 -0.772 0.000 2.018 756 L HN 0.683 nan 8.230 nan 0.000 0.780 757 W N 3.133 124.358 121.300 -0.124 0.000 2.429 757 W HA 0.420 5.080 4.660 -0.000 0.000 0.431 757 W C -0.414 176.042 176.519 -0.104 0.000 1.038 757 W CA -0.268 57.014 57.345 -0.105 0.000 1.635 757 W CB 0.012 29.427 29.460 -0.075 0.000 1.721 757 W HN 0.198 nan 8.180 nan 0.000 0.366 758 L N 3.790 124.848 121.223 -0.274 0.000 2.303 758 L HA 0.531 4.871 4.340 -0.000 0.000 0.266 758 L C 0.214 176.928 176.870 -0.260 0.000 1.011 758 L CA -0.722 53.998 54.840 -0.200 0.000 0.818 758 L CB 2.263 44.217 42.059 -0.175 0.000 1.326 758 L HN -0.122 nan 8.230 nan 0.000 0.435 759 T N 1.592 116.060 114.554 -0.143 0.000 3.008 759 T HA 0.333 4.683 4.350 -0.000 0.000 0.328 759 T C -0.483 174.196 174.700 -0.036 0.000 1.020 759 T CA -0.709 61.340 62.100 -0.084 0.000 1.043 759 T CB 0.785 69.636 68.868 -0.028 0.000 1.010 759 T HN 0.305 nan 8.240 nan 0.000 0.466 760 K N 2.036 122.407 120.400 -0.048 0.000 2.166 760 K HA 0.538 4.858 4.320 -0.000 0.000 0.245 760 K C -0.848 175.751 176.600 -0.002 0.000 0.967 760 K CA -0.905 55.365 56.287 -0.029 0.000 0.863 760 K CB 1.617 34.080 32.500 -0.062 0.000 1.107 760 K HN 0.412 nan 8.250 nan 0.000 0.436 761 D N 1.979 122.384 120.400 0.009 0.000 2.492 761 D HA 0.210 4.850 4.640 -0.000 0.000 0.248 761 D C -0.590 175.716 176.300 0.011 0.000 1.101 761 D CA -0.625 53.388 54.000 0.023 0.000 0.840 761 D CB 1.430 42.253 40.800 0.038 0.000 1.209 761 D HN 0.090 nan 8.370 nan 0.000 0.524 762 L N 2.717 123.945 121.223 0.008 0.000 2.451 762 L HA 0.126 4.466 4.340 -0.000 0.000 0.272 762 L C 1.076 177.949 176.870 0.006 0.000 1.258 762 L CA 0.170 55.010 54.840 -0.000 0.000 1.132 762 L CB -0.856 41.199 42.059 -0.006 0.000 1.361 762 L HN 0.250 nan 8.230 nan 0.000 0.438 763 T N -0.532 114.026 114.554 0.006 0.000 3.400 763 T HA 0.619 4.969 4.350 -0.000 0.000 0.364 763 T C -0.137 174.566 174.700 0.005 0.000 1.636 763 T CA -0.720 61.386 62.100 0.009 0.000 1.211 763 T CB -0.492 68.384 68.868 0.012 0.000 1.180 763 T HN 0.595 nan 8.240 nan 0.000 0.730 764 E N 0.142 120.343 120.200 0.002 0.000 2.381 764 E HA 0.361 4.711 4.350 -0.000 0.000 0.286 764 E C -1.437 175.162 176.600 -0.001 0.000 0.960 764 E CA -1.183 55.217 56.400 0.000 0.000 0.793 764 E CB 0.770 30.468 29.700 -0.002 0.000 1.225 764 E HN 0.181 nan 8.360 nan 0.000 0.420 765 E N 3.027 123.227 120.200 0.000 0.000 2.765 765 E HA 0.002 4.352 4.350 -0.000 0.000 0.256 765 E C -2.072 174.526 176.600 -0.003 0.000 0.935 765 E CA -0.243 56.156 56.400 -0.000 0.000 0.954 765 E CB -0.223 29.477 29.700 0.000 0.000 0.908 765 E HN 0.277 nan 8.360 nan 0.000 0.500 766 P HA 0.048 nan 4.420 nan 0.000 0.282 766 P C -0.721 176.576 177.300 -0.005 0.000 1.286 766 P CA -0.440 62.657 63.100 -0.006 0.000 0.777 766 P CB 0.597 32.294 31.700 -0.006 0.000 1.184 767 N N -2.487 116.209 118.700 -0.007 0.000 2.813 767 N HA 0.203 4.943 4.740 -0.000 0.000 0.320 767 N C 0.674 176.181 175.510 -0.006 0.000 1.315 767 N CA -0.713 52.333 53.050 -0.006 0.000 0.871 767 N CB -0.634 37.848 38.487 -0.007 0.000 1.241 767 N HN 0.020 nan 8.380 nan 0.000 0.602 768 S N -1.230 114.467 115.700 -0.005 0.000 2.440 768 S HA -0.163 4.307 4.470 -0.000 0.000 0.240 768 S C 1.232 175.829 174.600 -0.006 0.000 1.014 768 S CA 1.198 59.395 58.200 -0.005 0.000 0.980 768 S CB -0.346 62.851 63.200 -0.004 0.000 0.775 768 S HN 0.578 nan 8.310 nan 0.000 0.499 769 Q N 0.007 119.802 119.800 -0.008 0.000 2.408 769 Q HA 0.214 4.554 4.340 -0.000 0.000 0.205 769 Q C 1.425 177.419 176.000 -0.010 0.000 0.919 769 Q CA 0.782 56.579 55.803 -0.009 0.000 0.932 769 Q CB -0.101 28.630 28.738 -0.011 0.000 1.058 769 Q HN 0.531 nan 8.270 nan 0.000 0.517 770 G N -0.355 108.439 108.800 -0.009 0.000 2.175 770 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 770 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 770 G C 0.176 175.067 174.900 -0.014 0.000 0.982 770 G CA 0.224 45.318 45.100 -0.010 0.000 0.641 770 G HN 0.257 nan 8.290 nan 0.000 0.527 771 I N 1.670 122.231 120.570 -0.015 0.000 2.764 771 I HA 0.597 4.767 4.170 -0.000 0.000 0.294 771 I C 0.921 177.028 176.117 -0.016 0.000 1.045 771 I CA -0.186 61.103 61.300 -0.018 0.000 1.340 771 I CB 0.976 38.964 38.000 -0.020 0.000 1.436 771 I HN 0.513 nan 8.210 nan 0.000 0.567 772 S N 1.569 117.259 115.700 -0.018 0.000 2.548 772 S HA 0.570 5.040 4.470 -0.000 0.000 0.286 772 S C -0.498 174.090 174.600 -0.019 0.000 1.098 772 S CA -0.704 57.486 58.200 -0.015 0.000 0.930 772 S CB 1.934 65.127 63.200 -0.012 0.000 1.070 772 S HN 0.507 nan 8.310 nan 0.000 0.480 773 S N 1.026 116.715 115.700 -0.017 0.000 2.399 773 S HA 0.378 4.848 4.470 -0.000 0.000 0.215 773 S C -0.713 173.875 174.600 -0.019 0.000 1.456 773 S CA -0.646 57.542 58.200 -0.020 0.000 1.199 773 S CB -0.011 63.179 63.200 -0.016 0.000 1.063 773 S HN 0.705 nan 8.310 nan 0.000 0.476 774 K N 2.819 123.203 120.400 -0.025 0.000 2.262 774 K HA 0.385 4.705 4.320 -0.000 0.000 0.282 774 K C -0.193 176.387 176.600 -0.034 0.000 1.066 774 K CA -0.186 56.085 56.287 -0.027 0.000 0.901 774 K CB 0.501 32.982 32.500 -0.031 0.000 1.089 774 K HN 0.349 nan 8.250 nan 0.000 0.476 775 T N 4.357 118.897 114.554 -0.024 0.000 2.899 775 T HA 0.403 4.753 4.350 -0.000 0.000 0.284 775 T C -0.284 174.397 174.700 -0.032 0.000 1.004 775 T CA -0.606 61.482 62.100 -0.021 0.000 1.043 775 T CB 0.806 69.674 68.868 0.001 0.000 1.013 775 T HN 0.739 nan 8.240 nan 0.000 0.518 776 M N 2.476 122.053 119.600 -0.040 0.000 2.274 776 M HA 0.408 4.888 4.480 -0.000 0.000 0.272 776 M C -0.872 175.414 176.300 -0.025 0.000 1.053 776 M CA -0.529 54.726 55.300 -0.073 0.000 0.978 776 M CB 1.567 34.061 32.600 -0.176 0.000 1.836 776 M HN 0.700 nan 8.290 nan 0.000 0.484 777 S N 5.039 120.773 115.700 0.058 0.000 2.608 777 S HA 0.973 5.443 4.470 -0.000 0.000 0.291 777 S C -0.669 174.139 174.600 0.348 0.000 1.146 777 S CA -0.451 57.880 58.200 0.217 0.000 1.043 777 S CB 1.205 64.488 63.200 0.138 0.000 1.037 777 S HN 0.968 nan 8.310 nan 0.000 0.520 778 F N -1.726 118.248 119.950 0.039 0.000 2.769 778 F HA 0.464 4.991 4.527 -0.000 0.000 0.313 778 F C -1.980 173.963 175.800 0.239 0.000 1.146 778 F CA -1.638 56.386 58.000 0.039 0.000 0.934 778 F CB 0.700 39.731 39.000 0.052 0.000 1.283 778 F HN 0.581 nan 8.300 nan 0.000 0.443 779 Y N 3.205 123.445 120.300 -0.101 0.000 2.323 779 Y HA 0.350 4.900 4.550 -0.000 0.000 0.331 779 Y C 0.652 176.317 175.900 -0.390 0.000 1.092 779 Y CA -1.293 56.664 58.100 -0.238 0.000 1.150 779 Y CB 1.431 39.816 38.460 -0.126 0.000 1.200 779 Y HN 0.381 nan 8.280 nan 0.000 0.472 780 L N 3.167 124.222 121.223 -0.279 0.000 2.440 780 L HA 0.172 4.512 4.340 -0.000 0.000 0.184 780 L C 0.329 176.839 176.870 -0.599 0.000 1.111 780 L CA 0.417 55.024 54.840 -0.389 0.000 0.910 780 L CB 0.215 42.160 42.059 -0.191 0.000 1.455 780 L HN 0.706 nan 8.230 nan 0.000 0.523 781 R N -0.313 119.853 120.500 -0.557 0.000 2.912 781 R HA 0.222 4.562 4.340 -0.000 0.000 0.262 781 R C 0.321 176.468 176.300 -0.255 0.000 1.057 781 R CA -0.730 55.053 56.100 -0.529 0.000 0.981 781 R CB 0.507 30.312 30.300 -0.825 0.000 1.201 781 R HN 0.395 nan 8.270 nan 0.000 0.484 782 D N 0.194 120.373 120.400 -0.369 0.000 2.348 782 D HA -0.005 4.635 4.640 -0.000 0.000 0.216 782 D C -0.129 175.937 176.300 -0.390 0.000 0.970 782 D CA 0.766 54.503 54.000 -0.438 0.000 0.889 782 D CB 0.170 40.563 40.800 -0.678 0.000 0.912 782 D HN 0.227 nan 8.370 nan 0.000 0.524 783 S N 0.423 116.008 115.700 -0.191 0.000 2.558 783 S HA 0.027 4.497 4.470 -0.000 0.000 0.288 783 S C 1.563 176.100 174.600 -0.104 0.000 1.318 783 S CA -0.225 57.976 58.200 0.001 0.000 1.056 783 S CB 0.547 63.786 63.200 0.065 0.000 0.853 783 S HN 0.188 nan 8.310 nan 0.000 0.505 784 I N 0.795 121.291 120.570 -0.122 0.000 3.749 784 I HA 0.114 4.284 4.170 -0.000 0.000 0.314 784 I C 1.120 177.066 176.117 -0.285 0.000 1.278 784 I CA -0.077 61.033 61.300 -0.318 0.000 1.158 784 I CB -0.802 36.896 38.000 -0.505 0.000 1.018 784 I HN 0.446 nan 8.210 nan 0.000 0.435 785 T N -0.353 114.033 114.554 -0.280 0.000 2.688 785 T HA 0.376 4.726 4.350 -0.000 0.000 0.249 785 T C -0.005 174.521 174.700 -0.291 0.000 0.944 785 T CA -0.192 61.760 62.100 -0.248 0.000 1.058 785 T CB 1.836 70.477 68.868 -0.378 0.000 1.673 785 T HN 0.052 nan 8.240 nan 0.000 0.565 786 T N 1.661 116.033 114.554 -0.305 0.000 2.833 786 T HA 0.457 4.807 4.350 -0.000 0.000 0.297 786 T C -1.020 173.547 174.700 -0.222 0.000 1.015 786 T CA -0.366 61.608 62.100 -0.211 0.000 0.963 786 T CB 0.072 68.918 68.868 -0.037 0.000 0.955 786 T HN 0.440 nan 8.240 nan 0.000 0.449 787 W N 2.300 123.657 121.300 0.096 0.000 2.093 787 W HA 0.550 5.210 4.660 -0.000 0.000 0.352 787 W C -0.078 176.445 176.519 0.008 0.000 1.294 787 W CA -0.629 56.779 57.345 0.104 0.000 1.290 787 W CB 0.630 30.206 29.460 0.193 0.000 1.149 787 W HN 0.221 nan 8.180 nan 0.000 0.606 788 V N 2.546 122.618 119.914 0.263 0.000 2.624 788 V HA 0.143 4.263 4.120 -0.000 0.000 0.294 788 V C -0.463 175.575 176.094 -0.093 0.000 1.077 788 V CA -1.031 61.287 62.300 0.029 0.000 0.905 788 V CB 1.215 33.025 31.823 -0.022 0.000 1.025 788 V HN 0.377 nan 8.190 nan 0.000 0.440 789 V N 4.103 123.929 119.914 -0.147 0.000 2.509 789 V HA 0.729 4.849 4.120 -0.000 0.000 0.284 789 V C -0.509 175.485 176.094 -0.166 0.000 1.047 789 V CA -0.656 61.528 62.300 -0.194 0.000 0.952 789 V CB 1.360 33.057 31.823 -0.210 0.000 0.988 789 V HN 0.529 nan 8.190 nan 0.000 0.469 790 L N 3.850 124.953 121.223 -0.200 0.000 2.362 790 L HA 0.869 5.209 4.340 -0.000 0.000 0.275 790 L C 0.211 176.981 176.870 -0.166 0.000 0.998 790 L CA -0.351 54.387 54.840 -0.170 0.000 0.820 790 L CB 1.685 43.632 42.059 -0.187 0.000 1.270 790 L HN 1.003 nan 8.230 nan 0.000 0.415 791 A N 3.115 125.858 122.820 -0.128 0.000 2.350 791 A HA 0.912 5.232 4.320 -0.000 0.000 0.324 791 A C -1.163 176.349 177.584 -0.120 0.000 1.118 791 A CA -0.599 51.360 52.037 -0.130 0.000 0.783 791 A CB 1.641 20.574 19.000 -0.112 0.000 1.236 791 A HN 0.401 nan 8.150 nan 0.000 0.457 792 V N 1.950 121.794 119.914 -0.116 0.000 2.588 792 V HA 0.663 4.783 4.120 -0.000 0.000 0.304 792 V C -0.038 175.960 176.094 -0.161 0.000 1.042 792 V CA -0.179 62.016 62.300 -0.175 0.000 0.877 792 V CB 2.184 33.875 31.823 -0.219 0.000 0.996 792 V HN 1.157 nan 8.190 nan 0.000 0.425 793 S N 5.152 120.733 115.700 -0.199 0.000 2.552 793 S HA 0.693 5.163 4.470 -0.000 0.000 0.314 793 S C -1.045 173.493 174.600 -0.104 0.000 1.099 793 S CA -0.489 57.650 58.200 -0.103 0.000 1.070 793 S CB 1.126 64.272 63.200 -0.090 0.000 0.998 793 S HN 0.547 nan 8.310 nan 0.000 0.474 794 F N 3.064 122.946 119.950 -0.113 0.000 2.397 794 F HA 0.720 5.247 4.527 -0.000 0.000 0.331 794 F C -0.171 175.615 175.800 -0.024 0.000 1.090 794 F CA 0.149 58.113 58.000 -0.060 0.000 1.065 794 F CB 1.791 40.834 39.000 0.072 0.000 1.184 794 F HN 0.696 nan 8.300 nan 0.000 0.499 795 T N 6.330 120.434 114.554 -0.751 0.000 2.916 795 T HA 0.264 4.614 4.350 -0.000 0.000 0.305 795 T C -2.233 172.084 174.700 -0.639 0.000 1.119 795 T CA -1.069 60.790 62.100 -0.402 0.000 1.008 795 T CB 2.017 70.721 68.868 -0.274 0.000 1.129 795 T HN 0.254 nan 8.240 nan 0.000 0.480 796 P HA -0.161 nan 4.420 nan 0.000 0.212 796 P C 1.863 179.069 177.300 -0.158 0.000 1.178 796 P CA 1.782 64.852 63.100 -0.050 0.000 0.915 796 P CB -0.123 31.596 31.700 0.032 0.000 0.788 797 T N -3.291 111.184 114.554 -0.131 0.000 2.894 797 T HA 0.020 4.370 4.350 -0.000 0.000 0.258 797 T C 1.567 176.170 174.700 -0.162 0.000 1.043 797 T CA 0.794 62.824 62.100 -0.116 0.000 1.141 797 T CB -0.632 68.194 68.868 -0.070 0.000 0.873 797 T HN -0.096 nan 8.240 nan 0.000 0.449 798 K N 1.818 122.101 120.400 -0.194 0.000 2.487 798 K HA 0.314 4.634 4.320 -0.000 0.000 0.192 798 K C 1.679 178.136 176.600 -0.240 0.000 1.027 798 K CA 0.615 56.798 56.287 -0.174 0.000 1.054 798 K CB -0.694 31.722 32.500 -0.140 0.000 0.824 798 K HN 0.659 nan 8.250 nan 0.000 0.510 799 G N 1.887 110.438 108.800 -0.414 0.000 2.564 799 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.273 799 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.273 799 G C 0.087 174.707 174.900 -0.467 0.000 1.242 799 G CA -0.145 44.669 45.100 -0.477 0.000 0.951 799 G HN 0.235 nan 8.290 nan 0.000 0.564 800 I N -0.297 120.091 120.570 -0.303 0.000 2.834 800 I HA 0.531 4.701 4.170 -0.000 0.000 0.305 800 I C 0.294 176.242 176.117 -0.281 0.000 1.008 800 I CA -0.131 60.999 61.300 -0.284 0.000 1.273 800 I CB 1.472 39.334 38.000 -0.230 0.000 1.432 800 I HN 0.773 nan 8.210 nan 0.000 0.557 801 c N 5.136 123.558 118.600 -0.297 0.000 2.817 801 c HA 0.365 4.935 4.570 -0.000 0.000 0.385 801 c C -0.638 173.320 174.090 -0.220 0.000 1.050 801 c CA -0.500 55.694 56.329 -0.226 0.000 1.245 801 c CB 0.557 42.969 42.510 -0.162 0.000 1.706 801 c HN 0.481 nan 8.230 nan 0.000 0.488 802 V N 5.995 125.792 119.914 -0.195 0.000 2.498 802 V HA 0.655 4.775 4.120 -0.000 0.000 0.279 802 V C 0.956 176.988 176.094 -0.102 0.000 1.048 802 V CA 0.572 62.780 62.300 -0.153 0.000 0.967 802 V CB 1.516 33.253 31.823 -0.143 0.000 0.988 802 V HN 1.092 nan 8.190 nan 0.000 0.473 803 A N 5.003 127.771 122.820 -0.087 0.000 2.252 803 A HA 0.598 4.918 4.320 -0.000 0.000 0.305 803 A C 0.111 177.675 177.584 -0.033 0.000 1.097 803 A CA -0.555 51.445 52.037 -0.062 0.000 0.849 803 A CB 0.402 19.364 19.000 -0.065 0.000 1.142 803 A HN 0.693 nan 8.150 nan 0.000 0.499 804 E N 1.342 121.530 120.200 -0.020 0.000 2.220 804 E HA 0.226 4.576 4.350 -0.000 0.000 0.272 804 E C -2.211 174.409 176.600 0.033 0.000 1.099 804 E CA -1.747 54.656 56.400 0.005 0.000 0.907 804 E CB -0.001 29.697 29.700 -0.004 0.000 1.022 804 E HN 0.195 nan 8.360 nan 0.000 0.428 805 P HA -0.146 nan 4.420 nan 0.000 0.257 805 P C -0.818 176.571 177.300 0.148 0.000 1.162 805 P CA 0.573 63.707 63.100 0.056 0.000 0.762 805 P CB -0.068 31.698 31.700 0.110 0.000 0.753 806 Y N 3.560 123.845 120.300 -0.025 0.000 2.356 806 Y HA 0.305 4.855 4.550 -0.000 0.000 0.334 806 Y C 0.081 176.008 175.900 0.046 0.000 0.958 806 Y CA -1.765 56.341 58.100 0.009 0.000 1.196 806 Y CB 0.705 39.161 38.460 -0.005 0.000 1.137 806 Y HN 0.345 nan 8.280 nan 0.000 0.485 807 E N 6.383 126.759 120.200 0.292 0.000 2.316 807 E HA 0.311 4.660 4.350 -0.000 0.000 0.275 807 E C -0.865 175.659 176.600 -0.128 0.000 1.029 807 E CA -0.164 56.279 56.400 0.072 0.000 0.871 807 E CB 1.444 31.240 29.700 0.160 0.000 1.022 807 E HN 0.641 nan 8.360 nan 0.000 0.418 808 I N 3.051 123.544 120.570 -0.128 0.000 2.465 808 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 808 I C -0.674 175.514 176.117 0.118 0.000 1.014 808 I CA -0.773 60.502 61.300 -0.042 0.000 1.093 808 I CB 1.263 39.233 38.000 -0.049 0.000 1.267 808 I HN 0.368 nan 8.210 nan 0.000 0.431 809 R N 6.246 126.817 120.500 0.118 0.000 2.409 809 R HA 0.633 4.973 4.340 -0.000 0.000 0.313 809 R C -1.963 174.390 176.300 0.088 0.000 0.953 809 R CA -0.483 55.672 56.100 0.093 0.000 0.849 809 R CB 1.792 32.150 30.300 0.098 0.000 1.171 809 R HN 0.417 nan 8.270 nan 0.000 0.458 810 V N 6.085 126.025 119.914 0.043 0.000 2.417 810 V HA 0.586 4.706 4.120 -0.000 0.000 0.291 810 V C -0.470 175.616 176.094 -0.014 0.000 1.024 810 V CA -0.541 61.775 62.300 0.027 0.000 0.861 810 V CB 1.610 33.444 31.823 0.017 0.000 0.985 810 V HN 0.873 nan 8.190 nan 0.000 0.436 811 M N 6.518 126.121 119.600 0.004 0.000 2.534 811 M HA 0.640 5.120 4.480 -0.000 0.000 0.280 811 M C -1.865 174.462 176.300 0.044 0.000 1.217 811 M CA -0.510 54.791 55.300 0.001 0.000 0.893 811 M CB 2.341 34.996 32.600 0.092 0.000 1.730 811 M HN 0.615 nan 8.290 nan 0.000 0.483 812 K N 2.213 122.673 120.400 0.099 0.000 2.527 812 K HA 0.539 4.859 4.320 -0.000 0.000 0.260 812 K C -0.473 176.254 176.600 0.212 0.000 0.937 812 K CA -0.663 55.725 56.287 0.168 0.000 0.826 812 K CB 1.644 34.242 32.500 0.163 0.000 1.359 812 K HN 0.565 nan 8.250 nan 0.000 0.434 813 V N -0.082 119.909 119.914 0.128 0.000 3.186 813 V HA 0.031 4.151 4.120 -0.000 0.000 0.270 813 V C 0.243 176.276 176.094 -0.101 0.000 1.149 813 V CA 0.821 63.113 62.300 -0.013 0.000 1.160 813 V CB -1.600 30.117 31.823 -0.177 0.000 0.758 813 V HN 0.653 nan 8.190 nan 0.000 0.516 814 F N 1.621 121.447 119.950 -0.208 0.000 2.623 814 F HA 0.643 5.170 4.527 -0.000 0.000 0.323 814 F C -1.052 174.668 175.800 -0.133 0.000 1.158 814 F CA -2.071 55.740 58.000 -0.315 0.000 1.030 814 F CB 1.620 40.513 39.000 -0.179 0.000 1.280 814 F HN 0.032 nan 8.300 nan 0.000 0.474 815 F N 4.097 123.553 119.950 -0.823 0.000 3.122 815 F HA 0.712 5.239 4.527 -0.000 0.000 0.325 815 F C -2.061 173.442 175.800 -0.495 0.000 1.162 815 F CA -2.045 55.593 58.000 -0.604 0.000 0.876 815 F CB 0.843 39.650 39.000 -0.320 0.000 1.429 815 F HN 0.288 nan 8.300 nan 0.000 0.484 816 I N 1.278 121.945 120.570 0.162 0.000 2.411 816 I HA 0.422 4.592 4.170 -0.000 0.000 0.284 816 I C -1.192 175.032 176.117 0.178 0.000 1.012 816 I CA -0.586 60.774 61.300 0.100 0.000 1.119 816 I CB 1.197 39.190 38.000 -0.011 0.000 1.261 816 I HN 0.350 nan 8.210 nan 0.000 0.448 817 D N 5.272 125.838 120.400 0.278 0.000 2.302 817 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 817 D C -0.640 175.694 176.300 0.058 0.000 1.094 817 D CA 0.018 54.120 54.000 0.169 0.000 0.897 817 D CB 2.329 43.327 40.800 0.331 0.000 1.200 817 D HN 0.390 nan 8.370 nan 0.000 0.429 818 L N 4.242 125.447 121.223 -0.030 0.000 2.594 818 L HA 0.155 4.494 4.340 -0.000 0.000 0.245 818 L C -0.729 176.092 176.870 -0.081 0.000 1.460 818 L CA -0.640 54.151 54.840 -0.083 0.000 0.865 818 L CB 0.438 42.406 42.059 -0.152 0.000 1.131 818 L HN 0.158 nan 8.230 nan 0.000 0.506 819 Q N 2.931 122.718 119.800 -0.022 0.000 2.315 819 Q HA 0.207 4.547 4.340 -0.000 0.000 0.289 819 Q C -0.361 175.622 176.000 -0.029 0.000 1.044 819 Q CA 0.792 56.588 55.803 -0.013 0.000 0.920 819 Q CB 0.916 29.673 28.738 0.031 0.000 1.214 819 Q HN 0.709 nan 8.270 nan 0.000 0.392 820 M N 2.935 122.518 119.600 -0.028 0.000 2.310 820 M HA 0.273 4.753 4.480 -0.000 0.000 0.242 820 M C -2.644 173.662 176.300 0.010 0.000 1.000 820 M CA -1.490 53.794 55.300 -0.026 0.000 0.970 820 M CB 1.701 34.264 32.600 -0.062 0.000 2.191 820 M HN 0.311 nan 8.290 nan 0.000 0.470 821 P HA -0.030 nan 4.420 nan 0.000 0.273 821 P C -0.197 177.191 177.300 0.146 0.000 1.252 821 P CA -0.147 63.000 63.100 0.078 0.000 0.809 821 P CB 0.285 32.019 31.700 0.056 0.000 1.017 822 Y N 0.464 120.769 120.300 0.008 0.000 2.184 822 Y HA -0.011 4.539 4.550 -0.000 0.000 0.290 822 Y C 0.741 176.641 175.900 0.001 0.000 1.129 822 Y CA 1.416 59.520 58.100 0.008 0.000 1.144 822 Y CB -0.485 37.984 38.460 0.015 0.000 0.995 822 Y HN 0.355 nan 8.280 nan 0.000 0.513 823 S N 0.044 115.720 115.700 -0.040 0.000 2.571 823 S HA 0.627 5.097 4.470 -0.000 0.000 0.284 823 S C -1.266 173.290 174.600 -0.073 0.000 1.128 823 S CA -0.700 57.385 58.200 -0.191 0.000 0.970 823 S CB 1.794 64.784 63.200 -0.349 0.000 1.039 823 S HN 0.106 nan 8.310 nan 0.000 0.485 824 V N 2.494 122.375 119.914 -0.055 0.000 3.046 824 V HA 0.834 4.954 4.120 -0.000 0.000 0.316 824 V C -1.111 174.970 176.094 -0.022 0.000 1.104 824 V CA -0.701 61.584 62.300 -0.026 0.000 1.006 824 V CB 2.198 34.013 31.823 -0.013 0.000 1.058 824 V HN 0.950 nan 8.190 nan 0.000 0.440 825 V N 3.895 123.805 119.914 -0.006 0.000 2.555 825 V HA 0.429 4.549 4.120 -0.000 0.000 0.302 825 V C 0.092 176.197 176.094 0.018 0.000 1.038 825 V CA -0.976 61.322 62.300 -0.002 0.000 0.887 825 V CB 1.759 33.576 31.823 -0.009 0.000 0.991 825 V HN 0.937 nan 8.190 nan 0.000 0.434 826 K N 4.229 124.643 120.400 0.024 0.000 2.543 826 K HA -0.101 4.219 4.320 -0.000 0.000 0.279 826 K C 0.552 177.170 176.600 0.031 0.000 1.001 826 K CA 0.826 57.135 56.287 0.037 0.000 1.088 826 K CB -0.070 32.449 32.500 0.031 0.000 0.863 826 K HN 0.796 nan 8.250 nan 0.000 0.488 827 N N 1.762 120.484 118.700 0.036 0.000 2.776 827 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 827 N C -1.339 174.190 175.510 0.032 0.000 1.111 827 N CA 1.246 54.314 53.050 0.031 0.000 0.711 827 N CB -1.192 37.310 38.487 0.025 0.000 1.065 827 N HN 0.681 nan 8.380 nan 0.000 0.556 828 E N -0.184 120.035 120.200 0.032 0.000 2.227 828 E HA 0.344 4.694 4.350 -0.000 0.000 0.268 828 E C -0.015 176.615 176.600 0.049 0.000 0.990 828 E CA -0.720 55.704 56.400 0.040 0.000 0.856 828 E CB 1.172 30.893 29.700 0.034 0.000 1.159 828 E HN -0.020 nan 8.360 nan 0.000 0.401 829 Q N 1.790 121.647 119.800 0.096 0.000 2.256 829 Q HA 0.408 4.748 4.340 -0.000 0.000 0.254 829 Q C -1.225 174.900 176.000 0.209 0.000 0.916 829 Q CA -0.336 55.552 55.803 0.143 0.000 0.932 829 Q CB 1.737 30.651 28.738 0.294 0.000 1.207 829 Q HN 0.388 nan 8.270 nan 0.000 0.426 830 V N 2.618 122.609 119.914 0.130 0.000 3.012 830 V HA 0.374 4.494 4.120 -0.000 0.000 0.307 830 V C -1.410 174.763 176.094 0.131 0.000 1.166 830 V CA -0.782 61.623 62.300 0.175 0.000 0.974 830 V CB 2.296 34.156 31.823 0.061 0.000 1.040 830 V HN 0.879 nan 8.190 nan 0.000 0.428 831 E N 5.583 125.912 120.200 0.215 0.000 2.044 831 E HA 0.404 4.754 4.350 -0.000 0.000 0.282 831 E C -0.735 175.906 176.600 0.068 0.000 1.031 831 E CA -0.570 55.911 56.400 0.135 0.000 0.824 831 E CB 0.844 30.672 29.700 0.213 0.000 1.076 831 E HN 0.727 nan 8.360 nan 0.000 0.395 832 I N 5.128 125.711 120.570 0.022 0.000 2.379 832 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 832 I C 0.705 176.859 176.117 0.061 0.000 1.063 832 I CA -0.114 61.188 61.300 0.003 0.000 1.351 832 I CB 0.584 38.536 38.000 -0.079 0.000 1.410 832 I HN 0.421 nan 8.210 nan 0.000 0.505 833 R N 5.543 126.079 120.500 0.061 0.000 2.349 833 R HA 0.718 5.058 4.340 -0.000 0.000 0.299 833 R C -0.686 175.648 176.300 0.056 0.000 1.027 833 R CA -0.231 55.923 56.100 0.090 0.000 0.958 833 R CB 1.192 31.543 30.300 0.084 0.000 1.047 833 R HN 0.773 nan 8.270 nan 0.000 0.468 834 A N 4.278 127.148 122.820 0.082 0.000 2.437 834 A HA 0.711 5.031 4.320 -0.000 0.000 0.292 834 A C -1.358 176.258 177.584 0.053 0.000 1.173 834 A CA -0.797 51.256 52.037 0.026 0.000 0.785 834 A CB 1.387 20.345 19.000 -0.071 0.000 1.351 834 A HN 0.543 nan 8.150 nan 0.000 0.431 835 I N 0.507 121.090 120.570 0.022 0.000 2.569 835 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 835 I C -1.118 174.907 176.117 -0.152 0.000 1.088 835 I CA -0.406 60.853 61.300 -0.068 0.000 1.047 835 I CB 1.339 39.286 38.000 -0.088 0.000 1.237 835 I HN 0.526 nan 8.210 nan 0.000 0.421 836 L N 6.216 127.300 121.223 -0.231 0.000 2.307 836 L HA 0.398 4.738 4.340 -0.000 0.000 0.282 836 L C -0.206 176.291 176.870 -0.621 0.000 1.051 836 L CA -0.090 54.550 54.840 -0.333 0.000 0.804 836 L CB 0.498 42.462 42.059 -0.160 0.000 1.197 836 L HN 0.404 nan 8.230 nan 0.000 0.431 837 H N 2.752 121.404 119.070 -0.696 0.000 2.505 837 H HA 0.292 4.848 4.556 -0.000 0.000 0.338 837 H C -0.944 173.811 175.328 -0.954 0.000 1.057 837 H CA -0.669 54.799 56.048 -0.966 0.000 1.202 837 H CB 1.859 30.700 29.762 -1.536 0.000 1.466 837 H HN 0.416 nan 8.280 nan 0.000 0.499 838 N N 3.349 121.734 118.700 -0.526 0.000 2.564 838 N HA 0.040 4.780 4.740 -0.000 0.000 0.248 838 N C -1.429 173.961 175.510 -0.199 0.000 0.986 838 N CA -0.372 52.520 53.050 -0.263 0.000 0.921 838 N CB 0.221 38.658 38.487 -0.085 0.000 1.136 838 N HN 0.340 nan 8.380 nan 0.000 0.509 839 Y N 3.333 123.506 120.300 -0.213 0.000 2.827 839 Y HA 0.334 4.884 4.550 -0.000 0.000 0.373 839 Y C 0.199 175.989 175.900 -0.183 0.000 1.198 839 Y CA -0.658 57.344 58.100 -0.164 0.000 1.589 839 Y CB -0.388 37.995 38.460 -0.128 0.000 1.682 839 Y HN 0.249 nan 8.280 nan 0.000 0.506 840 V N -1.143 118.745 119.914 -0.043 0.000 3.329 840 V HA 0.484 4.604 4.120 -0.000 0.000 0.308 840 V C 0.226 176.274 176.094 -0.077 0.000 1.375 840 V CA -0.780 61.439 62.300 -0.135 0.000 1.015 840 V CB 1.579 33.186 31.823 -0.360 0.000 1.155 840 V HN 0.102 nan 8.190 nan 0.000 0.479 841 N N -0.219 118.430 118.700 -0.086 0.000 2.830 841 N HA 0.124 4.864 4.740 -0.000 0.000 0.232 841 N C 0.391 175.878 175.510 -0.038 0.000 1.062 841 N CA 0.355 53.379 53.050 -0.043 0.000 1.204 841 N CB -0.350 38.125 38.487 -0.019 0.000 1.589 841 N HN 0.856 nan 8.380 nan 0.000 0.604 842 E N 2.804 122.995 120.200 -0.015 0.000 3.212 842 E HA -0.171 4.179 4.350 -0.000 0.000 0.266 842 E C -0.905 175.694 176.600 -0.002 0.000 0.836 842 E CA 0.151 56.558 56.400 0.012 0.000 1.012 842 E CB -0.808 28.930 29.700 0.064 0.000 0.777 842 E HN 0.110 nan 8.360 nan 0.000 0.505 843 D N 3.025 123.424 120.400 -0.002 0.000 2.622 843 D HA -0.010 4.630 4.640 -0.000 0.000 0.227 843 D C 0.658 176.974 176.300 0.026 0.000 1.159 843 D CA 1.203 55.202 54.000 -0.002 0.000 0.865 843 D CB 0.176 40.977 40.800 0.002 0.000 1.207 843 D HN 0.488 nan 8.370 nan 0.000 0.492 844 I N -1.665 118.924 120.570 0.030 0.000 3.042 844 I HA 0.493 4.663 4.170 -0.000 0.000 0.310 844 I C -1.085 175.134 176.117 0.170 0.000 1.117 844 I CA -1.331 60.022 61.300 0.088 0.000 1.003 844 I CB 1.822 39.848 38.000 0.044 0.000 1.228 844 I HN 0.064 nan 8.210 nan 0.000 0.443 845 Y N 2.760 123.110 120.300 0.083 0.000 2.341 845 Y HA 0.788 5.338 4.550 -0.000 0.000 0.337 845 Y C -0.816 175.224 175.900 0.234 0.000 1.014 845 Y CA -0.652 57.542 58.100 0.156 0.000 1.111 845 Y CB 1.691 40.247 38.460 0.159 0.000 1.194 845 Y HN 0.515 nan 8.280 nan 0.000 0.462 846 V N 6.836 126.797 119.914 0.078 0.000 2.971 846 V HA 0.619 4.739 4.120 -0.000 0.000 0.309 846 V C -1.598 174.427 176.094 -0.116 0.000 1.130 846 V CA -0.823 61.523 62.300 0.075 0.000 0.964 846 V CB 2.244 34.181 31.823 0.189 0.000 1.029 846 V HN 0.821 nan 8.190 nan 0.000 0.427 847 R N 3.630 123.922 120.500 -0.346 0.000 2.599 847 R HA 0.816 5.156 4.340 -0.000 0.000 0.295 847 R C -2.202 173.954 176.300 -0.240 0.000 0.963 847 R CA -0.414 55.391 56.100 -0.491 0.000 0.883 847 R CB 2.133 31.771 30.300 -1.102 0.000 1.171 847 R HN 0.552 nan 8.270 nan 0.000 0.450 848 V N 4.221 124.027 119.914 -0.180 0.000 2.483 848 V HA 0.312 4.432 4.120 -0.000 0.000 0.297 848 V C -0.728 175.374 176.094 0.014 0.000 1.027 848 V CA -0.735 61.545 62.300 -0.032 0.000 0.855 848 V CB 1.940 33.783 31.823 0.034 0.000 0.995 848 V HN 0.797 nan 8.190 nan 0.000 0.424 849 E N 3.703 123.949 120.200 0.077 0.000 2.191 849 E HA 0.527 4.877 4.350 -0.000 0.000 0.274 849 E C -0.659 176.099 176.600 0.262 0.000 0.948 849 E CA -0.829 55.660 56.400 0.148 0.000 0.802 849 E CB 2.824 32.583 29.700 0.098 0.000 1.137 849 E HN 0.494 nan 8.360 nan 0.000 0.397 850 L N 2.588 124.053 121.223 0.404 0.000 2.479 850 L HA 0.389 4.729 4.340 -0.000 0.000 0.248 850 L C -0.842 176.177 176.870 0.248 0.000 1.205 850 L CA -0.053 55.035 54.840 0.414 0.000 0.817 850 L CB 0.517 42.910 42.059 0.557 0.000 1.162 850 L HN 0.582 nan 8.230 nan 0.000 0.486 851 L N 0.282 121.620 121.223 0.192 0.000 2.341 851 L HA 0.441 4.781 4.340 -0.000 0.000 0.267 851 L C -1.359 175.658 176.870 0.245 0.000 1.022 851 L CA -0.860 54.096 54.840 0.194 0.000 0.844 851 L CB 1.601 43.748 42.059 0.145 0.000 1.436 851 L HN 0.685 nan 8.230 nan 0.000 0.483 852 Y N 1.621 121.982 120.300 0.102 0.000 2.341 852 Y HA 0.436 4.986 4.550 -0.000 0.000 0.338 852 Y C -0.800 175.132 175.900 0.054 0.000 0.965 852 Y CA -0.666 57.490 58.100 0.093 0.000 1.108 852 Y CB 1.110 39.614 38.460 0.075 0.000 1.180 852 Y HN 0.427 nan 8.280 nan 0.000 0.458 853 N N 7.492 125.886 118.700 -0.510 0.000 2.352 853 N HA 0.371 5.111 4.740 -0.000 0.000 0.291 853 N C -2.584 172.362 175.510 -0.940 0.000 1.040 853 N CA -2.456 50.243 53.050 -0.585 0.000 0.864 853 N CB 2.692 40.904 38.487 -0.459 0.000 1.440 853 N HN 0.351 nan 8.380 nan 0.000 0.483 854 P HA -0.078 nan 4.420 nan 0.000 0.217 854 P C 0.565 177.601 177.300 -0.440 0.000 1.148 854 P CA 1.290 64.094 63.100 -0.493 0.000 0.828 854 P CB 0.194 31.785 31.700 -0.182 0.000 0.783 855 A N -2.325 120.121 122.820 -0.623 0.000 2.261 855 A HA 0.083 4.403 4.320 -0.000 0.000 0.208 855 A C -0.019 177.300 177.584 -0.442 0.000 1.223 855 A CA 0.539 52.162 52.037 -0.690 0.000 0.833 855 A CB -0.929 17.305 19.000 -1.277 0.000 0.830 855 A HN 0.019 nan 8.150 nan 0.000 0.483 856 F N -1.664 118.106 119.950 -0.300 0.000 2.612 856 F HA 0.284 4.811 4.527 -0.000 0.000 0.332 856 F C -0.083 175.609 175.800 -0.179 0.000 1.167 856 F CA -1.968 55.904 58.000 -0.213 0.000 0.970 856 F CB 0.551 39.427 39.000 -0.206 0.000 1.234 856 F HN -0.089 nan 8.300 nan 0.000 0.453 857 c N 4.089 122.740 118.600 0.084 0.000 2.619 857 c HA 0.568 5.138 4.570 -0.000 0.000 0.389 857 c C 0.674 174.771 174.090 0.012 0.000 1.314 857 c CA 0.011 56.366 56.329 0.044 0.000 1.678 857 c CB -1.907 40.622 42.510 0.032 0.000 2.398 857 c HN 0.853 nan 8.230 nan 0.000 0.582 858 S N 3.725 119.443 115.700 0.030 0.000 2.745 858 S HA 0.733 5.203 4.470 -0.000 0.000 0.306 858 S C 0.356 174.953 174.600 -0.004 0.000 1.137 858 S CA -0.067 58.118 58.200 -0.024 0.000 0.900 858 S CB 1.529 64.746 63.200 0.029 0.000 1.176 858 S HN 0.933 nan 8.310 nan 0.000 0.520 859 A N 0.417 123.160 122.820 -0.129 0.000 2.265 859 A HA 0.513 4.833 4.320 -0.000 0.000 0.213 859 A C 0.599 178.300 177.584 0.195 0.000 1.255 859 A CA -0.112 51.884 52.037 -0.068 0.000 0.862 859 A CB -1.040 17.639 19.000 -0.535 0.000 0.852 859 A HN 0.585 nan 8.150 nan 0.000 0.484 860 S N -0.880 114.949 115.700 0.216 0.000 2.568 860 S HA 0.697 5.167 4.470 -0.000 0.000 0.293 860 S C -0.117 174.708 174.600 0.376 0.000 1.089 860 S CA -0.156 58.231 58.200 0.312 0.000 0.945 860 S CB 1.838 65.237 63.200 0.331 0.000 1.077 860 S HN 0.590 nan 8.310 nan 0.000 0.485 861 T N -1.170 113.524 114.554 0.234 0.000 2.907 861 T HA 0.475 4.825 4.350 -0.000 0.000 0.292 861 T C 0.637 175.097 174.700 -0.401 0.000 1.043 861 T CA -0.901 61.222 62.100 0.038 0.000 1.003 861 T CB 1.474 70.359 68.868 0.030 0.000 1.084 861 T HN 0.497 nan 8.240 nan 0.000 0.483 862 K N 0.802 120.624 120.400 -0.963 0.000 2.374 862 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 862 K C 1.679 178.038 176.600 -0.403 0.000 1.044 862 K CA 2.022 57.677 56.287 -1.055 0.000 0.933 862 K CB -0.709 31.388 32.500 -0.671 0.000 0.745 862 K HN 0.802 nan 8.250 nan 0.000 0.474 863 G N -0.616 108.049 108.800 -0.225 0.000 2.808 863 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.210 863 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.210 863 G C -0.194 174.682 174.900 -0.040 0.000 1.177 863 G CA -0.252 44.793 45.100 -0.092 0.000 0.853 863 G HN 0.258 nan 8.290 nan 0.000 0.625 864 Q N 1.587 121.378 119.800 -0.015 0.000 2.349 864 Q HA 0.409 4.749 4.340 -0.000 0.000 0.254 864 Q C 0.306 176.351 176.000 0.075 0.000 0.980 864 Q CA -0.310 55.512 55.803 0.032 0.000 0.924 864 Q CB 0.458 29.220 28.738 0.040 0.000 1.209 864 Q HN 0.224 nan 8.270 nan 0.000 0.445 865 R N 2.356 122.909 120.500 0.088 0.000 2.774 865 R HA 0.069 4.409 4.340 -0.000 0.000 0.269 865 R C -0.631 175.774 176.300 0.175 0.000 1.068 865 R CA -0.288 55.900 56.100 0.148 0.000 1.180 865 R CB 0.472 30.847 30.300 0.125 0.000 1.077 865 R HN 0.672 nan 8.270 nan 0.000 0.513 866 Y N 2.280 122.626 120.300 0.076 0.000 2.353 866 Y HA 0.289 4.839 4.550 -0.000 0.000 0.340 866 Y C -0.350 175.545 175.900 -0.008 0.000 0.972 866 Y CA -0.663 57.455 58.100 0.029 0.000 1.157 866 Y CB 0.545 39.009 38.460 0.007 0.000 1.157 866 Y HN 0.555 nan 8.280 nan 0.000 0.495 867 R N 4.561 124.860 120.500 -0.336 0.000 2.867 867 R HA 0.718 5.058 4.340 -0.000 0.000 0.268 867 R C -1.761 174.274 176.300 -0.442 0.000 1.014 867 R CA -0.968 54.989 56.100 -0.238 0.000 0.946 867 R CB 2.166 32.391 30.300 -0.125 0.000 1.208 867 R HN 0.713 nan 8.270 nan 0.000 0.477 868 Q N 0.850 120.441 119.800 -0.347 0.000 2.456 868 Q HA 0.357 4.697 4.340 -0.000 0.000 0.284 868 Q C -1.439 174.316 176.000 -0.409 0.000 1.061 868 Q CA -1.160 54.407 55.803 -0.395 0.000 0.799 868 Q CB 3.145 31.583 28.738 -0.500 0.000 1.445 868 Q HN 0.558 nan 8.270 nan 0.000 0.411 869 Q N 1.542 121.130 119.800 -0.353 0.000 2.347 869 Q HA 0.769 5.109 4.340 -0.000 0.000 0.271 869 Q C -1.279 174.534 176.000 -0.311 0.000 1.064 869 Q CA -0.602 54.986 55.803 -0.358 0.000 0.800 869 Q CB 2.288 30.910 28.738 -0.192 0.000 1.304 869 Q HN 0.678 nan 8.270 nan 0.000 0.438 870 F N -0.970 118.643 119.950 -0.561 0.000 2.900 870 F HA 0.716 5.243 4.527 -0.000 0.000 0.321 870 F C -3.127 172.478 175.800 -0.325 0.000 1.160 870 F CA -2.466 55.272 58.000 -0.436 0.000 0.890 870 F CB 1.317 40.168 39.000 -0.249 0.000 1.334 870 F HN 0.284 nan 8.300 nan 0.000 0.459 871 P HA 0.510 nan 4.420 nan 0.000 0.290 871 P C -1.201 175.909 177.300 -0.318 0.000 1.283 871 P CA -0.423 62.625 63.100 -0.087 0.000 0.869 871 P CB 2.671 34.397 31.700 0.042 0.000 1.100 872 I N -0.905 119.544 120.570 -0.202 0.000 2.686 872 I HA 0.465 4.635 4.170 -0.000 0.000 0.295 872 I C 0.282 176.335 176.117 -0.107 0.000 1.114 872 I CA -1.200 59.973 61.300 -0.212 0.000 1.038 872 I CB 2.353 40.222 38.000 -0.219 0.000 1.238 872 I HN 0.071 nan 8.210 nan 0.000 0.420 873 K N 4.557 124.900 120.400 -0.094 0.000 2.028 873 K HA 0.540 4.860 4.320 -0.000 0.000 0.211 873 K C 0.499 177.075 176.600 -0.040 0.000 1.034 873 K CA 0.542 56.796 56.287 -0.054 0.000 0.999 873 K CB -0.527 31.946 32.500 -0.045 0.000 1.060 873 K HN 0.857 nan 8.250 nan 0.000 0.451 874 A N -0.694 122.111 122.820 -0.025 0.000 2.594 874 A HA 0.499 4.819 4.320 -0.000 0.000 0.295 874 A C -0.448 177.150 177.584 0.023 0.000 1.071 874 A CA -0.623 51.407 52.037 -0.012 0.000 0.685 874 A CB 0.908 19.899 19.000 -0.016 0.000 1.285 874 A HN 0.499 nan 8.150 nan 0.000 0.405 875 L N 0.549 121.811 121.223 0.065 0.000 3.829 875 L HA -0.222 4.118 4.340 -0.000 0.000 0.440 875 L C 0.179 177.175 176.870 0.210 0.000 1.192 875 L CA 1.235 56.163 54.840 0.147 0.000 0.848 875 L CB -1.232 40.835 42.059 0.013 0.000 1.744 875 L HN 1.329 nan 8.230 nan 0.000 0.920 876 S N -1.969 113.811 115.700 0.133 0.000 2.599 876 S HA 0.896 5.366 4.470 -0.000 0.000 0.294 876 S C -0.257 174.290 174.600 -0.089 0.000 1.094 876 S CA -0.277 57.941 58.200 0.030 0.000 0.931 876 S CB 2.288 65.471 63.200 -0.028 0.000 1.093 876 S HN 0.277 nan 8.310 nan 0.000 0.488 877 S N 1.191 116.824 115.700 -0.111 0.000 2.500 877 S HA 0.733 5.203 4.470 -0.000 0.000 0.301 877 S C -0.890 173.579 174.600 -0.218 0.000 1.092 877 S CA -0.963 57.084 58.200 -0.254 0.000 1.030 877 S CB 1.030 64.114 63.200 -0.193 0.000 1.031 877 S HN 0.585 nan 8.310 nan 0.000 0.483 878 R N 1.379 121.721 120.500 -0.264 0.000 2.574 878 R HA 0.626 4.966 4.340 -0.000 0.000 0.288 878 R C -0.822 175.433 176.300 -0.076 0.000 1.004 878 R CA -0.621 55.377 56.100 -0.171 0.000 0.895 878 R CB 1.839 31.976 30.300 -0.271 0.000 1.191 878 R HN 0.753 nan 8.270 nan 0.000 0.444 879 A N 2.492 125.312 122.820 -0.000 0.000 2.331 879 A HA 0.532 4.852 4.320 -0.000 0.000 0.283 879 A C -0.211 177.457 177.584 0.141 0.000 1.142 879 A CA -0.441 51.628 52.037 0.053 0.000 0.812 879 A CB 0.694 19.727 19.000 0.055 0.000 1.074 879 A HN 0.347 nan 8.150 nan 0.000 0.497 880 V N 4.465 124.477 119.914 0.164 0.000 2.349 880 V HA 0.370 4.490 4.120 -0.000 0.000 0.284 880 V C -2.428 173.812 176.094 0.243 0.000 1.014 880 V CA -1.620 60.808 62.300 0.213 0.000 0.826 880 V CB 1.100 33.126 31.823 0.340 0.000 1.009 880 V HN 0.811 nan 8.190 nan 0.000 0.431 881 P HA 0.535 nan 4.420 nan 0.000 0.276 881 P C -1.048 176.263 177.300 0.017 0.000 1.252 881 P CA -0.375 62.779 63.100 0.089 0.000 0.802 881 P CB 0.632 32.329 31.700 -0.004 0.000 1.035 882 F N -0.925 118.941 119.950 -0.139 0.000 2.630 882 F HA 0.245 4.772 4.527 -0.000 0.000 0.325 882 F C -0.657 174.991 175.800 -0.254 0.000 1.184 882 F CA -0.805 57.052 58.000 -0.238 0.000 1.011 882 F CB 1.712 40.590 39.000 -0.203 0.000 1.268 882 F HN -0.098 nan 8.300 nan 0.000 0.480 883 V N 5.695 125.459 119.914 -0.250 0.000 2.427 883 V HA 0.581 4.701 4.120 -0.000 0.000 0.286 883 V C -0.238 175.696 176.094 -0.266 0.000 1.034 883 V CA -0.623 61.501 62.300 -0.294 0.000 0.893 883 V CB 1.684 33.216 31.823 -0.485 0.000 0.982 883 V HN 0.643 nan 8.190 nan 0.000 0.452 884 I N 5.598 126.028 120.570 -0.233 0.000 2.827 884 I HA 0.756 4.926 4.170 -0.000 0.000 0.298 884 I C -1.419 174.575 176.117 -0.205 0.000 1.235 884 I CA -0.862 60.284 61.300 -0.256 0.000 1.021 884 I CB 2.548 40.303 38.000 -0.407 0.000 1.259 884 I HN 0.458 nan 8.210 nan 0.000 0.427 885 V N 3.395 123.218 119.914 -0.150 0.000 2.444 885 V HA 0.703 4.823 4.120 -0.000 0.000 0.294 885 V C -2.829 173.271 176.094 0.011 0.000 1.022 885 V CA -2.028 60.234 62.300 -0.064 0.000 0.850 885 V CB 0.965 32.772 31.823 -0.025 0.000 0.992 885 V HN 0.603 nan 8.190 nan 0.000 0.426 886 P HA 0.441 nan 4.420 nan 0.000 0.282 886 P C 0.391 177.774 177.300 0.139 0.000 1.274 886 P CA -0.263 62.977 63.100 0.233 0.000 0.770 886 P CB 1.430 33.251 31.700 0.202 0.000 0.867 887 L N 1.444 122.729 121.223 0.103 0.000 2.265 887 L HA 0.262 4.602 4.340 -0.000 0.000 0.195 887 L C 1.032 177.906 176.870 0.008 0.000 1.083 887 L CA 0.435 55.290 54.840 0.026 0.000 0.798 887 L CB -0.671 41.380 42.059 -0.014 0.000 0.989 887 L HN 0.258 nan 8.230 nan 0.000 0.472 888 E N 1.239 121.407 120.200 -0.052 0.000 2.349 888 E HA 0.201 4.551 4.350 -0.000 0.000 0.265 888 E C -0.701 176.001 176.600 0.170 0.000 1.064 888 E CA -0.347 56.057 56.400 0.007 0.000 0.886 888 E CB 1.075 30.728 29.700 -0.077 0.000 1.036 888 E HN 0.230 nan 8.360 nan 0.000 0.413 889 Q N 0.692 120.601 119.800 0.182 0.000 2.293 889 Q HA 0.723 5.063 4.340 -0.000 0.000 0.216 889 Q C 0.396 176.439 176.000 0.072 0.000 1.003 889 Q CA -0.337 55.556 55.803 0.149 0.000 0.995 889 Q CB 1.124 29.896 28.738 0.057 0.000 1.172 889 Q HN 0.651 nan 8.270 nan 0.000 0.518 890 G N -0.841 107.917 108.800 -0.070 0.000 2.548 890 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.208 890 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.208 890 G C -1.173 173.512 174.900 -0.358 0.000 1.308 890 G CA -0.501 44.470 45.100 -0.215 0.000 0.924 890 G HN 0.719 nan 8.290 nan 0.000 0.540 891 L N 1.205 122.174 121.223 -0.424 0.000 2.305 891 L HA 0.701 5.041 4.340 -0.000 0.000 0.281 891 L C 0.204 176.730 176.870 -0.573 0.000 1.085 891 L CA -0.741 53.898 54.840 -0.336 0.000 0.813 891 L CB 1.318 43.275 42.059 -0.170 0.000 1.157 891 L HN 0.586 nan 8.230 nan 0.000 0.436 892 H N 1.129 120.202 119.070 0.006 0.000 2.806 892 H HA 0.291 4.847 4.556 -0.000 0.000 0.367 892 H C -1.190 174.139 175.328 0.002 0.000 1.136 892 H CA -0.906 55.096 56.048 -0.078 0.000 1.178 892 H CB 2.134 31.726 29.762 -0.283 0.000 1.718 892 H HN 0.571 nan 8.280 nan 0.000 0.540 893 D N 2.185 122.634 120.400 0.083 0.000 2.417 893 D HA 0.123 4.763 4.640 -0.000 0.000 0.250 893 D C 0.151 176.564 176.300 0.187 0.000 1.166 893 D CA 0.088 54.143 54.000 0.092 0.000 0.881 893 D CB 1.815 42.641 40.800 0.042 0.000 1.164 893 D HN 0.032 nan 8.370 nan 0.000 0.467 894 V N 2.536 122.566 119.914 0.193 0.000 2.513 894 V HA 0.324 4.444 4.120 -0.000 0.000 0.299 894 V C 0.057 176.185 176.094 0.057 0.000 1.035 894 V CA -0.523 61.883 62.300 0.177 0.000 0.889 894 V CB 2.040 33.906 31.823 0.072 0.000 0.988 894 V HN 0.494 nan 8.190 nan 0.000 0.440 895 E N 3.866 124.088 120.200 0.037 0.000 2.308 895 E HA 0.637 4.987 4.350 -0.000 0.000 0.275 895 E C -1.777 174.814 176.600 -0.015 0.000 0.890 895 E CA -0.526 55.884 56.400 0.017 0.000 0.754 895 E CB 2.246 31.977 29.700 0.053 0.000 1.207 895 E HN 0.603 nan 8.360 nan 0.000 0.426 896 I N 3.038 123.583 120.570 -0.043 0.000 2.689 896 I HA 0.493 4.663 4.170 -0.000 0.000 0.299 896 I C -0.656 175.474 176.117 0.022 0.000 1.059 896 I CA -0.716 60.557 61.300 -0.045 0.000 1.055 896 I CB 1.975 39.868 38.000 -0.177 0.000 1.243 896 I HN 0.397 nan 8.210 nan 0.000 0.425 897 K N 3.582 124.018 120.400 0.060 0.000 2.512 897 K HA 0.906 5.226 4.320 -0.000 0.000 0.263 897 K C -1.665 174.984 176.600 0.081 0.000 0.966 897 K CA -0.837 55.492 56.287 0.071 0.000 0.851 897 K CB 2.790 35.333 32.500 0.071 0.000 1.395 897 K HN 0.638 nan 8.250 nan 0.000 0.440 898 A N 0.715 123.603 122.820 0.114 0.000 2.582 898 A HA 0.672 4.992 4.320 -0.000 0.000 0.297 898 A C -1.439 176.309 177.584 0.273 0.000 1.059 898 A CA -0.600 51.528 52.037 0.152 0.000 0.705 898 A CB 1.508 20.616 19.000 0.179 0.000 1.279 898 A HN 0.702 nan 8.150 nan 0.000 0.404 899 S N -0.054 115.738 115.700 0.155 0.000 2.596 899 S HA 0.752 5.222 4.470 -0.000 0.000 0.270 899 S C -1.189 173.409 174.600 -0.004 0.000 1.155 899 S CA -0.644 57.633 58.200 0.127 0.000 0.827 899 S CB 1.241 64.514 63.200 0.121 0.000 1.130 899 S HN 1.486 nan 8.310 nan 0.000 0.467 900 V N 2.792 122.668 119.914 -0.064 0.000 2.407 900 V HA 0.407 4.527 4.120 -0.000 0.000 0.278 900 V C 0.628 176.879 176.094 0.263 0.000 1.037 900 V CA -0.513 61.795 62.300 0.013 0.000 0.900 900 V CB 1.090 32.851 31.823 -0.104 0.000 0.983 900 V HN 0.991 nan 8.190 nan 0.000 0.459 901 Q N 4.003 124.071 119.800 0.446 0.000 2.269 901 Q HA -0.031 4.309 4.340 -0.000 0.000 0.300 901 Q C 0.314 176.356 176.000 0.069 0.000 1.070 901 Q CA 0.366 56.320 55.803 0.251 0.000 0.957 901 Q CB 0.108 28.961 28.738 0.192 0.000 1.131 901 Q HN 0.815 nan 8.270 nan 0.000 0.377 902 E N 1.489 121.672 120.200 -0.027 0.000 2.393 902 E HA -0.219 4.131 4.350 -0.000 0.000 0.169 902 E C -1.949 174.601 176.600 -0.084 0.000 1.591 902 E CA 1.096 57.457 56.400 -0.064 0.000 0.661 902 E CB -1.313 28.346 29.700 -0.067 0.000 1.097 902 E HN 0.866 nan 8.360 nan 0.000 0.356 903 A N 1.503 124.236 122.820 -0.146 0.000 2.361 903 A HA 0.517 4.837 4.320 -0.000 0.000 0.297 903 A C 0.071 177.409 177.584 -0.411 0.000 1.036 903 A CA -0.336 51.482 52.037 -0.365 0.000 0.589 903 A CB 0.044 18.814 19.000 -0.385 0.000 1.418 903 A HN 0.350 nan 8.150 nan 0.000 0.539 904 L N -0.331 120.428 121.223 -0.773 0.000 2.416 904 L HA 0.130 4.470 4.340 -0.000 0.000 0.216 904 L C 0.242 176.905 176.870 -0.346 0.000 1.098 904 L CA -0.018 54.494 54.840 -0.546 0.000 0.840 904 L CB -0.099 41.581 42.059 -0.633 0.000 0.981 904 L HN 0.585 nan 8.230 nan 0.000 0.462 905 W N 2.528 123.794 121.300 -0.056 0.000 2.253 905 W HA 0.371 5.031 4.660 -0.000 0.000 0.322 905 W C 0.529 177.008 176.519 -0.066 0.000 1.342 905 W CA -0.202 57.096 57.345 -0.078 0.000 1.218 905 W CB 0.195 29.502 29.460 -0.254 0.000 1.205 905 W HN 0.044 nan 8.180 nan 0.000 0.551 906 S N 1.556 117.502 115.700 0.411 0.000 2.580 906 S HA 0.477 4.947 4.470 -0.000 0.000 0.281 906 S C -1.755 173.086 174.600 0.402 0.000 1.129 906 S CA -0.960 57.472 58.200 0.388 0.000 0.862 906 S CB 2.835 66.155 63.200 0.201 0.000 1.090 906 S HN 0.346 nan 8.310 nan 0.000 0.451 907 D N -0.813 119.790 120.400 0.338 0.000 2.663 907 D HA 0.697 5.337 4.640 -0.000 0.000 0.233 907 D C -0.430 175.947 176.300 0.128 0.000 1.240 907 D CA 0.236 54.354 54.000 0.197 0.000 0.774 907 D CB 1.779 42.670 40.800 0.152 0.000 1.443 907 D HN 1.005 nan 8.370 nan 0.000 0.441 908 G N -0.078 108.776 108.800 0.089 0.000 2.690 908 G HA2 0.649 4.609 3.960 -0.000 0.000 0.291 908 G HA3 0.649 4.609 3.960 -0.000 0.000 0.291 908 G C -1.651 173.292 174.900 0.071 0.000 1.403 908 G CA -0.638 44.504 45.100 0.070 0.000 0.864 908 G HN 0.516 nan 8.290 nan 0.000 0.480 909 V N 0.208 120.162 119.914 0.066 0.000 2.711 909 V HA 0.573 4.693 4.120 -0.000 0.000 0.304 909 V C -0.333 175.811 176.094 0.084 0.000 1.097 909 V CA -0.857 61.508 62.300 0.109 0.000 0.906 909 V CB 1.909 33.771 31.823 0.065 0.000 1.015 909 V HN 0.907 nan 8.190 nan 0.000 0.427 910 R N 3.483 124.067 120.500 0.140 0.000 2.393 910 R HA 0.739 5.079 4.340 -0.000 0.000 0.310 910 R C -0.929 175.456 176.300 0.141 0.000 0.968 910 R CA -0.637 55.528 56.100 0.110 0.000 0.867 910 R CB 1.443 31.801 30.300 0.097 0.000 1.124 910 R HN 0.729 nan 8.270 nan 0.000 0.450 911 K N 2.919 123.346 120.400 0.046 0.000 2.468 911 K HA 0.287 4.607 4.320 -0.000 0.000 0.252 911 K C -1.017 175.601 176.600 0.031 0.000 0.932 911 K CA -0.873 55.412 56.287 -0.003 0.000 0.794 911 K CB 2.383 34.795 32.500 -0.147 0.000 1.241 911 K HN 0.384 nan 8.250 nan 0.000 0.428 912 K N 2.214 122.640 120.400 0.042 0.000 2.237 912 K HA 0.291 4.611 4.320 -0.000 0.000 0.270 912 K C -0.635 175.999 176.600 0.057 0.000 1.015 912 K CA -0.303 56.017 56.287 0.056 0.000 0.949 912 K CB 0.757 33.279 32.500 0.036 0.000 0.976 912 K HN 0.441 nan 8.250 nan 0.000 0.472 913 L N 2.417 123.702 121.223 0.103 0.000 2.334 913 L HA 0.383 4.723 4.340 -0.000 0.000 0.276 913 L C -0.841 176.076 176.870 0.078 0.000 1.014 913 L CA -0.736 54.166 54.840 0.103 0.000 0.815 913 L CB 1.367 43.529 42.059 0.172 0.000 1.268 913 L HN 0.431 nan 8.230 nan 0.000 0.428 914 K N 3.424 123.849 120.400 0.041 0.000 2.253 914 K HA 0.495 4.815 4.320 -0.000 0.000 0.277 914 K C -1.560 175.023 176.600 -0.027 0.000 1.053 914 K CA -0.431 55.845 56.287 -0.017 0.000 0.892 914 K CB 1.195 33.662 32.500 -0.055 0.000 1.102 914 K HN 0.426 nan 8.250 nan 0.000 0.469 915 V N 5.749 125.654 119.914 -0.014 0.000 2.350 915 V HA 0.382 4.502 4.120 -0.000 0.000 0.285 915 V C -0.699 175.381 176.094 -0.023 0.000 1.014 915 V CA -0.857 61.455 62.300 0.020 0.000 0.831 915 V CB 1.206 33.107 31.823 0.131 0.000 1.000 915 V HN 0.597 nan 8.190 nan 0.000 0.433 916 V N 7.385 127.272 119.914 -0.044 0.000 2.960 916 V HA 0.751 4.871 4.120 -0.000 0.000 0.315 916 V C -2.503 173.573 176.094 -0.030 0.000 1.087 916 V CA -2.544 59.722 62.300 -0.056 0.000 0.982 916 V CB 3.220 34.980 31.823 -0.105 0.000 1.039 916 V HN 0.718 nan 8.190 nan 0.000 0.437 917 P HA 0.223 nan 4.420 nan 0.000 0.275 917 P C -0.845 176.444 177.300 -0.018 0.000 1.227 917 P CA -0.076 63.017 63.100 -0.011 0.000 0.781 917 P CB 0.413 32.110 31.700 -0.005 0.000 0.906 918 E N 2.202 122.395 120.200 -0.011 0.000 2.416 918 E HA 0.376 4.726 4.350 -0.000 0.000 0.254 918 E C 0.313 176.903 176.600 -0.017 0.000 1.241 918 E CA -0.168 56.223 56.400 -0.015 0.000 0.969 918 E CB -0.333 29.363 29.700 -0.007 0.000 0.999 918 E HN 0.688 nan 8.360 nan 0.000 0.481 919 G N -1.244 107.543 108.800 -0.022 0.000 2.587 919 G HA2 0.018 3.978 3.960 -0.000 0.000 0.686 919 G HA3 0.018 3.978 3.960 -0.000 0.000 0.686 919 G C -1.194 173.682 174.900 -0.040 0.000 1.236 919 G CA -0.330 44.751 45.100 -0.031 0.000 0.820 919 G HN 0.667 nan 8.290 nan 0.000 0.645 920 V N 1.081 120.963 119.914 -0.053 0.000 2.850 920 V HA 0.778 4.898 4.120 -0.000 0.000 0.315 920 V C 0.753 176.807 176.094 -0.067 0.000 1.064 920 V CA -0.174 62.096 62.300 -0.049 0.000 0.979 920 V CB 1.758 33.557 31.823 -0.041 0.000 1.039 920 V HN 1.134 nan 8.190 nan 0.000 0.452 921 Q N 4.453 124.236 119.800 -0.028 0.000 2.295 921 Q HA 0.378 4.718 4.340 -0.000 0.000 0.259 921 Q C -0.679 175.332 176.000 0.018 0.000 0.976 921 Q CA -0.053 55.756 55.803 0.010 0.000 0.923 921 Q CB 0.709 29.482 28.738 0.057 0.000 1.185 921 Q HN 0.667 nan 8.270 nan 0.000 0.410 922 K N 2.217 122.596 120.400 -0.035 0.000 2.426 922 K HA 0.457 4.777 4.320 -0.000 0.000 0.251 922 K C -1.588 175.035 176.600 0.039 0.000 0.941 922 K CA -0.736 55.509 56.287 -0.069 0.000 0.808 922 K CB 1.792 34.118 32.500 -0.290 0.000 1.265 922 K HN 0.711 nan 8.250 nan 0.000 0.432 923 S N 3.332 119.024 115.700 -0.013 0.000 2.498 923 S HA 0.568 5.038 4.470 -0.000 0.000 0.317 923 S C -0.722 173.798 174.600 -0.134 0.000 1.090 923 S CA -0.825 57.230 58.200 -0.242 0.000 1.089 923 S CB 0.747 63.779 63.200 -0.281 0.000 0.997 923 S HN 0.447 nan 8.310 nan 0.000 0.470 924 I N 3.596 124.081 120.570 -0.141 0.000 2.411 924 I HA 0.376 4.546 4.170 -0.000 0.000 0.284 924 I C -0.767 175.276 176.117 -0.124 0.000 1.012 924 I CA -0.488 60.769 61.300 -0.072 0.000 1.119 924 I CB 1.852 39.855 38.000 0.005 0.000 1.261 924 I HN 0.658 nan 8.210 nan 0.000 0.448 925 V N 4.537 124.387 119.914 -0.106 0.000 2.435 925 V HA 0.797 4.917 4.120 -0.000 0.000 0.290 925 V C 0.105 176.163 176.094 -0.061 0.000 1.030 925 V CA -0.569 61.674 62.300 -0.094 0.000 0.881 925 V CB 1.421 33.189 31.823 -0.092 0.000 0.983 925 V HN 0.758 nan 8.190 nan 0.000 0.445 926 T N 2.550 117.073 114.554 -0.052 0.000 2.907 926 T HA 0.845 5.195 4.350 -0.000 0.000 0.292 926 T C -0.662 174.019 174.700 -0.032 0.000 1.043 926 T CA -0.637 61.440 62.100 -0.039 0.000 1.003 926 T CB 2.121 70.968 68.868 -0.037 0.000 1.084 926 T HN 0.478 nan 8.240 nan 0.000 0.483 927 I N 1.430 121.984 120.570 -0.026 0.000 2.545 927 I HA 0.709 4.879 4.170 -0.000 0.000 0.292 927 I C -0.631 175.476 176.117 -0.018 0.000 1.040 927 I CA -1.557 59.730 61.300 -0.021 0.000 1.068 927 I CB 2.204 40.191 38.000 -0.022 0.000 1.251 927 I HN 0.647 nan 8.210 nan 0.000 0.424 928 V N 1.591 121.497 119.914 -0.014 0.000 2.841 928 V HA 0.615 4.735 4.120 -0.000 0.000 0.310 928 V C -0.719 175.370 176.094 -0.008 0.000 1.090 928 V CA -0.877 61.416 62.300 -0.012 0.000 0.930 928 V CB 1.929 33.745 31.823 -0.012 0.000 1.014 928 V HN 0.565 nan 8.190 nan 0.000 0.425 929 K N 3.888 124.283 120.400 -0.008 0.000 2.143 929 K HA 0.618 4.938 4.320 -0.000 0.000 0.272 929 K C -0.795 175.803 176.600 -0.003 0.000 1.001 929 K CA -0.385 55.898 56.287 -0.006 0.000 0.915 929 K CB 2.052 34.548 32.500 -0.007 0.000 1.047 929 K HN 0.772 nan 8.250 nan 0.000 0.458 930 L N 2.863 124.085 121.223 -0.000 0.000 2.371 930 L HA 0.209 4.549 4.340 -0.000 0.000 0.262 930 L C -0.320 176.552 176.870 0.003 0.000 1.054 930 L CA -0.504 54.337 54.840 0.003 0.000 0.924 930 L CB 0.699 42.763 42.059 0.008 0.000 1.295 930 L HN 0.447 nan 8.230 nan 0.000 0.441 931 D N 3.942 124.342 120.400 0.002 0.000 2.432 931 D HA 0.291 4.931 4.640 -0.000 0.000 0.265 931 D C -1.839 174.463 176.300 0.003 0.000 1.160 931 D CA -1.841 52.160 54.000 0.002 0.000 0.911 931 D CB 1.995 42.795 40.800 -0.001 0.000 1.052 931 D HN 0.088 nan 8.370 nan 0.000 0.508 932 P HA -0.098 nan 4.420 nan 0.000 0.217 932 P C 1.389 178.692 177.300 0.006 0.000 1.150 932 P CA 0.699 63.803 63.100 0.006 0.000 0.832 932 P CB 0.304 32.010 31.700 0.010 0.000 0.787 933 R N 0.111 120.615 120.500 0.007 0.000 2.105 933 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 933 R C 1.899 178.201 176.300 0.003 0.000 1.135 933 R CA 1.880 57.983 56.100 0.006 0.000 0.967 933 R CB -0.744 29.560 30.300 0.006 0.000 0.861 933 R HN 0.105 nan 8.270 nan 0.000 0.442 934 A N 0.380 123.202 122.820 0.002 0.000 1.887 934 A HA 0.031 4.351 4.320 -0.000 0.000 0.212 934 A C 1.750 179.334 177.584 -0.000 0.000 1.198 934 A CA 1.031 53.068 52.037 0.000 0.000 0.628 934 A CB 0.053 19.052 19.000 -0.001 0.000 0.847 934 A HN 0.330 nan 8.150 nan 0.000 0.449 935 K N -0.643 119.757 120.400 -0.000 0.000 2.262 935 K HA 0.194 4.514 4.320 -0.000 0.000 0.200 935 K C 1.185 177.784 176.600 -0.000 0.000 1.058 935 K CA 0.345 56.631 56.287 -0.001 0.000 0.974 935 K CB -0.120 32.379 32.500 -0.002 0.000 0.910 935 K HN 0.366 nan 8.250 nan 0.000 0.484 936 G N 1.419 110.220 108.800 0.001 0.000 2.559 936 G HA2 0.145 4.105 3.960 -0.000 0.000 0.235 936 G HA3 0.145 4.105 3.960 -0.000 0.000 0.235 936 G C 1.019 175.920 174.900 0.002 0.000 1.266 936 G CA -0.525 44.575 45.100 0.001 0.000 0.847 936 G HN -0.087 nan 8.290 nan 0.000 0.583 937 V N 2.843 122.758 119.914 0.001 0.000 2.273 937 V HA 0.007 4.127 4.120 -0.000 0.000 0.206 937 V C 2.668 178.763 176.094 0.003 0.000 0.970 937 V CA 1.823 64.124 62.300 0.002 0.000 1.050 937 V CB -1.210 30.613 31.823 0.001 0.000 0.672 937 V HN 0.805 nan 8.190 nan 0.000 0.471 938 G N -0.625 108.177 108.800 0.003 0.000 3.340 938 G HA2 0.384 4.344 3.960 -0.000 0.000 0.240 938 G HA3 0.384 4.344 3.960 -0.000 0.000 0.240 938 G C 1.021 175.925 174.900 0.007 0.000 1.327 938 G CA 0.659 45.762 45.100 0.005 0.000 1.170 938 G HN 1.499 nan 8.290 nan 0.000 0.520 939 G N -1.105 107.699 108.800 0.007 0.000 2.157 939 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.239 939 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.239 939 G C 0.236 175.141 174.900 0.009 0.000 0.982 939 G CA 0.267 45.372 45.100 0.009 0.000 0.650 939 G HN 0.672 nan 8.290 nan 0.000 0.527 940 T N 0.693 115.251 114.554 0.006 0.000 2.833 940 T HA 0.538 4.888 4.350 -0.000 0.000 0.297 940 T C -0.241 174.460 174.700 0.002 0.000 1.015 940 T CA -0.272 61.831 62.100 0.005 0.000 0.963 940 T CB 1.733 70.604 68.868 0.004 0.000 0.955 940 T HN 0.376 nan 8.240 nan 0.000 0.449 941 Q N 4.208 124.010 119.800 0.002 0.000 2.368 941 Q HA 0.343 4.683 4.340 -0.000 0.000 0.256 941 Q C -0.854 175.144 176.000 -0.004 0.000 0.980 941 Q CA -0.818 54.985 55.803 -0.001 0.000 0.887 941 Q CB 0.453 29.191 28.738 0.000 0.000 1.221 941 Q HN 0.417 nan 8.270 nan 0.000 0.458 942 L N 4.624 125.844 121.223 -0.005 0.000 2.302 942 L HA 0.345 4.685 4.340 -0.000 0.000 0.285 942 L C -0.117 176.747 176.870 -0.010 0.000 1.090 942 L CA 0.244 55.079 54.840 -0.008 0.000 0.866 942 L CB 0.394 42.448 42.059 -0.007 0.000 1.244 942 L HN 0.658 nan 8.230 nan 0.000 0.435 943 E N 2.417 122.610 120.200 -0.012 0.000 2.202 943 E HA 0.630 4.980 4.350 -0.000 0.000 0.272 943 E C -0.849 175.740 176.600 -0.017 0.000 0.951 943 E CA -0.599 55.793 56.400 -0.014 0.000 0.813 943 E CB 3.331 33.023 29.700 -0.013 0.000 1.151 943 E HN 0.122 nan 8.360 nan 0.000 0.398 944 V N 3.301 123.204 119.914 -0.017 0.000 2.777 944 V HA 0.349 4.469 4.120 -0.000 0.000 0.306 944 V C -1.043 175.039 176.094 -0.021 0.000 1.112 944 V CA -0.716 61.572 62.300 -0.020 0.000 0.917 944 V CB 1.906 33.718 31.823 -0.018 0.000 1.018 944 V HN 0.447 nan 8.190 nan 0.000 0.426 945 I N 5.982 126.538 120.570 -0.024 0.000 2.382 945 I HA 0.442 4.612 4.170 -0.000 0.000 0.285 945 I C 0.250 176.349 176.117 -0.029 0.000 1.007 945 I CA -0.730 60.554 61.300 -0.026 0.000 1.142 945 I CB 1.477 39.460 38.000 -0.028 0.000 1.289 945 I HN 0.406 nan 8.210 nan 0.000 0.453 946 K N 4.341 124.724 120.400 -0.029 0.000 2.380 946 K HA 0.414 4.734 4.320 -0.000 0.000 0.267 946 K C 0.204 176.781 176.600 -0.038 0.000 0.990 946 K CA -0.334 55.935 56.287 -0.030 0.000 0.946 946 K CB 0.202 32.686 32.500 -0.027 0.000 0.937 946 K HN 0.621 nan 8.250 nan 0.000 0.491 947 A N 3.646 126.442 122.820 -0.040 0.000 2.526 947 A HA 0.021 4.341 4.320 -0.000 0.000 0.267 947 A C 0.131 177.676 177.584 -0.065 0.000 1.095 947 A CA -0.063 51.943 52.037 -0.052 0.000 0.775 947 A CB -0.441 18.530 19.000 -0.048 0.000 1.036 947 A HN 0.570 nan 8.150 nan 0.000 0.510 948 R N 2.082 122.532 120.500 -0.083 0.000 2.537 948 R HA 0.053 4.393 4.340 -0.000 0.000 0.281 948 R C 0.355 176.590 176.300 -0.108 0.000 0.988 948 R CA 0.531 56.574 56.100 -0.096 0.000 1.077 948 R CB 0.332 30.559 30.300 -0.122 0.000 0.932 948 R HN 0.770 nan 8.270 nan 0.000 0.409 949 K N 2.796 123.149 120.400 -0.078 0.000 2.494 949 K HA 0.030 4.350 4.320 -0.000 0.000 0.273 949 K C 0.103 176.646 176.600 -0.095 0.000 0.970 949 K CA 0.248 56.496 56.287 -0.064 0.000 0.963 949 K CB 0.400 32.879 32.500 -0.035 0.000 0.913 949 K HN 0.359 nan 8.250 nan 0.000 0.502 950 L N -0.433 120.750 121.223 -0.067 0.000 3.360 950 L HA 0.171 4.511 4.340 -0.000 0.000 0.224 950 L C -0.636 176.264 176.870 0.051 0.000 1.813 950 L CA -0.880 53.926 54.840 -0.057 0.000 1.790 950 L CB 0.737 42.678 42.059 -0.198 0.000 1.808 950 L HN 0.731 nan 8.230 nan 0.000 0.542 951 D N -0.444 120.014 120.400 0.097 0.000 2.839 951 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 951 D C 0.207 176.566 176.300 0.098 0.000 0.988 951 D CA 1.131 55.182 54.000 0.086 0.000 1.009 951 D CB -1.144 39.681 40.800 0.042 0.000 1.067 951 D HN 0.634 nan 8.370 nan 0.000 0.444 952 D N 0.319 120.805 120.400 0.143 0.000 2.349 952 D HA 0.003 4.643 4.640 -0.000 0.000 0.224 952 D C 1.243 177.595 176.300 0.086 0.000 1.029 952 D CA 0.091 54.147 54.000 0.093 0.000 0.879 952 D CB 0.216 41.063 40.800 0.078 0.000 0.906 952 D HN 0.394 nan 8.370 nan 0.000 0.528 953 R N 0.269 120.867 120.500 0.164 0.000 2.828 953 R HA 0.348 4.688 4.340 -0.000 0.000 0.270 953 R C -0.632 175.722 176.300 0.089 0.000 1.244 953 R CA -0.300 55.907 56.100 0.178 0.000 1.143 953 R CB 0.516 30.977 30.300 0.268 0.000 1.128 953 R HN -0.138 nan 8.270 nan 0.000 0.587 954 V N 1.857 121.822 119.914 0.086 0.000 2.709 954 V HA 0.381 4.501 4.120 -0.000 0.000 0.308 954 V C -2.295 173.831 176.094 0.054 0.000 1.062 954 V CA -2.014 60.317 62.300 0.052 0.000 0.901 954 V CB 1.614 33.457 31.823 0.033 0.000 1.003 954 V HN 0.862 nan 8.190 nan 0.000 0.425 955 P HA 0.077 nan 4.420 nan 0.000 0.267 955 P C -0.299 177.019 177.300 0.031 0.000 1.200 955 P CA 0.364 63.483 63.100 0.033 0.000 0.772 955 P CB 0.308 32.022 31.700 0.023 0.000 0.855 956 D N -1.037 119.380 120.400 0.028 0.000 2.702 956 D HA -0.148 4.492 4.640 -0.000 0.000 0.233 956 D C 0.563 176.879 176.300 0.027 0.000 1.164 956 D CA 1.456 55.471 54.000 0.023 0.000 0.638 956 D CB -1.569 39.240 40.800 0.015 0.000 1.041 956 D HN 0.572 nan 8.370 nan 0.000 0.422 957 T N -3.800 110.778 114.554 0.040 0.000 2.938 957 T HA 0.556 4.906 4.350 -0.000 0.000 0.285 957 T C 0.385 175.118 174.700 0.054 0.000 1.028 957 T CA -0.992 61.134 62.100 0.043 0.000 1.005 957 T CB 2.492 71.392 68.868 0.054 0.000 1.157 957 T HN -0.094 nan 8.240 nan 0.000 0.550 958 E N -0.309 119.922 120.200 0.052 0.000 2.438 958 E HA 0.361 4.711 4.350 -0.000 0.000 0.261 958 E C -0.838 175.827 176.600 0.108 0.000 1.103 958 E CA 0.143 56.580 56.400 0.061 0.000 0.959 958 E CB 0.052 29.779 29.700 0.045 0.000 0.958 958 E HN 0.600 nan 8.360 nan 0.000 0.447 959 I N 2.632 123.266 120.570 0.106 0.000 2.630 959 I HA 0.090 4.260 4.170 -0.000 0.000 0.279 959 I C -1.317 174.875 176.117 0.125 0.000 1.235 959 I CA -0.373 61.008 61.300 0.136 0.000 1.096 959 I CB 1.481 39.531 38.000 0.083 0.000 1.318 959 I HN 0.436 nan 8.210 nan 0.000 0.457 960 E N 5.232 125.547 120.200 0.192 0.000 2.165 960 E HA 0.597 4.947 4.350 -0.000 0.000 0.266 960 E C -0.884 175.858 176.600 0.236 0.000 0.889 960 E CA -0.353 56.157 56.400 0.183 0.000 0.756 960 E CB 1.487 31.285 29.700 0.162 0.000 1.131 960 E HN 0.450 nan 8.360 nan 0.000 0.411 961 T N 1.980 116.624 114.554 0.150 0.000 2.841 961 T HA 0.500 4.850 4.350 -0.000 0.000 0.285 961 T C -0.359 174.411 174.700 0.116 0.000 0.991 961 T CA -1.089 61.089 62.100 0.130 0.000 0.966 961 T CB 1.058 69.961 68.868 0.059 0.000 0.962 961 T HN 0.324 nan 8.240 nan 0.000 0.438 962 K N 3.279 123.764 120.400 0.141 0.000 2.211 962 K HA 0.470 4.790 4.320 -0.000 0.000 0.275 962 K C -0.679 175.969 176.600 0.080 0.000 1.024 962 K CA -0.673 55.686 56.287 0.120 0.000 0.887 962 K CB 1.707 34.306 32.500 0.166 0.000 1.084 962 K HN 0.637 nan 8.250 nan 0.000 0.463 963 I N 4.841 125.447 120.570 0.061 0.000 2.312 963 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 963 I C -0.557 175.594 176.117 0.056 0.000 1.008 963 I CA -0.570 60.753 61.300 0.039 0.000 1.226 963 I CB 0.755 38.762 38.000 0.011 0.000 1.371 963 I HN 0.459 nan 8.210 nan 0.000 0.468 964 I N 8.220 128.823 120.570 0.054 0.000 2.465 964 I HA 0.464 4.634 4.170 -0.000 0.000 0.291 964 I C -0.629 175.525 176.117 0.062 0.000 1.014 964 I CA -0.559 60.783 61.300 0.071 0.000 1.093 964 I CB 1.546 39.586 38.000 0.067 0.000 1.267 964 I HN 0.399 nan 8.210 nan 0.000 0.431 965 I N 4.225 124.847 120.570 0.087 0.000 2.647 965 I HA 0.697 4.867 4.170 -0.000 0.000 0.295 965 I C -1.462 174.699 176.117 0.073 0.000 1.078 965 I CA -0.622 60.724 61.300 0.076 0.000 1.048 965 I CB 2.128 40.181 38.000 0.089 0.000 1.239 965 I HN 0.625 nan 8.210 nan 0.000 0.421 966 Q N 3.620 123.446 119.800 0.044 0.000 2.281 966 Q HA 0.604 4.944 4.340 -0.000 0.000 0.263 966 Q C -0.813 175.194 176.000 0.011 0.000 0.989 966 Q CA -0.850 54.969 55.803 0.028 0.000 0.852 966 Q CB 1.675 30.423 28.738 0.017 0.000 1.337 966 Q HN 0.955 nan 8.270 nan 0.000 0.418 967 G N 1.639 110.442 108.800 0.005 0.000 2.594 967 G HA2 0.244 4.204 3.960 -0.000 0.000 0.243 967 G HA3 0.244 4.204 3.960 -0.000 0.000 0.243 967 G C -0.735 174.147 174.900 -0.031 0.000 1.229 967 G CA -0.222 44.873 45.100 -0.008 0.000 0.843 967 G HN 0.642 nan 8.290 nan 0.000 0.578 968 D N 1.318 121.698 120.400 -0.033 0.000 2.249 968 D HA 0.383 5.023 4.640 -0.000 0.000 0.246 968 D C -1.533 174.724 176.300 -0.071 0.000 1.114 968 D CA -0.833 53.139 54.000 -0.047 0.000 0.854 968 D CB 1.475 42.255 40.800 -0.034 0.000 1.132 968 D HN 0.063 nan 8.370 nan 0.000 0.461 1271 K N 1.850 122.326 120.400 0.127 0.000 2.355 1271 K HA 0.137 4.457 4.320 -0.000 0.000 0.270 1271 K C -0.162 176.532 176.600 0.156 0.000 1.003 1271 K CA 0.203 56.508 56.287 0.031 0.000 0.957 1271 K CB 0.496 32.996 32.500 -0.000 0.000 0.939 1271 K HN 0.651 nan 8.250 nan 0.000 0.482 1272 D N 3.349 123.806 120.400 0.095 0.000 2.440 1272 D HA 0.233 4.873 4.640 -0.000 0.000 0.252 1272 D C -1.470 174.893 176.300 0.106 0.000 1.180 1272 D CA -0.594 53.515 54.000 0.182 0.000 0.894 1272 D CB 0.642 41.555 40.800 0.188 0.000 1.111 1272 D HN 0.274 nan 8.370 nan 0.000 0.544 1273 L N 1.947 123.232 121.223 0.104 0.000 2.365 1273 L HA 0.639 4.979 4.340 -0.000 0.000 0.273 1273 L C -1.184 175.731 176.870 0.075 0.000 1.000 1273 L CA -0.578 54.299 54.840 0.063 0.000 0.819 1273 L CB 1.878 43.952 42.059 0.025 0.000 1.284 1273 L HN 0.141 nan 8.230 nan 0.000 0.418 1274 N N 4.217 122.953 118.700 0.061 0.000 2.609 1274 N HA 0.478 5.218 4.740 -0.000 0.000 0.268 1274 N C -1.761 173.776 175.510 0.046 0.000 1.106 1274 N CA -0.292 52.793 53.050 0.059 0.000 0.823 1274 N CB 1.354 39.878 38.487 0.061 0.000 1.263 1274 N HN 0.700 nan 8.380 nan 0.000 0.533 1275 L N 1.443 122.694 121.223 0.045 0.000 2.317 1275 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 1275 L C -0.086 176.814 176.870 0.051 0.000 1.024 1275 L CA -0.792 54.073 54.840 0.043 0.000 0.810 1275 L CB 1.571 43.654 42.059 0.040 0.000 1.240 1275 L HN 0.289 nan 8.230 nan 0.000 0.427 1276 D N 2.786 123.214 120.400 0.046 0.000 2.192 1276 D HA 0.648 5.288 4.640 -0.000 0.000 0.246 1276 D C -1.124 175.205 176.300 0.048 0.000 1.042 1276 D CA -0.140 53.890 54.000 0.050 0.000 0.847 1276 D CB 1.866 42.689 40.800 0.038 0.000 1.186 1276 D HN 0.367 nan 8.370 nan 0.000 0.461 1277 I N 1.412 122.019 120.570 0.061 0.000 2.894 1277 I HA 0.403 4.573 4.170 -0.000 0.000 0.302 1277 I C -1.174 174.943 176.117 0.001 0.000 1.188 1277 I CA -0.330 60.992 61.300 0.036 0.000 1.014 1277 I CB 2.344 40.375 38.000 0.052 0.000 1.242 1277 I HN 0.217 nan 8.210 nan 0.000 0.430 1278 T N 6.726 121.259 114.554 -0.035 0.000 2.893 1278 T HA 0.587 4.937 4.350 -0.000 0.000 0.293 1278 T C -1.311 173.335 174.700 -0.090 0.000 1.027 1278 T CA -0.378 61.687 62.100 -0.059 0.000 0.988 1278 T CB 1.678 70.527 68.868 -0.031 0.000 1.043 1278 T HN 0.253 nan 8.240 nan 0.000 0.461 1279 I N 3.126 123.627 120.570 -0.116 0.000 2.512 1279 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 1279 I C -0.661 175.404 176.117 -0.086 0.000 1.069 1279 I CA -0.727 60.502 61.300 -0.119 0.000 1.056 1279 I CB 1.845 39.728 38.000 -0.194 0.000 1.229 1279 I HN 0.737 nan 8.210 nan 0.000 0.429 1280 E N 7.348 127.511 120.200 -0.062 0.000 2.266 1280 E HA 0.770 5.120 4.350 -0.000 0.000 0.268 1280 E C -1.355 175.222 176.600 -0.039 0.000 0.879 1280 E CA -0.786 55.587 56.400 -0.045 0.000 0.762 1280 E CB 3.203 32.882 29.700 -0.035 0.000 1.199 1280 E HN 0.379 nan 8.360 nan 0.000 0.422 1281 L N 0.704 121.907 121.223 -0.033 0.000 2.415 1281 L HA 0.431 4.771 4.340 -0.000 0.000 0.256 1281 L C -2.256 174.601 176.870 -0.022 0.000 1.010 1281 L CA -2.220 52.604 54.840 -0.027 0.000 0.826 1281 L CB 1.644 43.688 42.059 -0.026 0.000 1.405 1281 L HN 0.256 nan 8.230 nan 0.000 0.410 1282 P HA -0.071 nan 4.420 nan 0.000 0.228 1282 P C 0.397 177.689 177.300 -0.014 0.000 1.151 1282 P CA 0.738 63.829 63.100 -0.015 0.000 0.770 1282 P CB 0.201 31.893 31.700 -0.014 0.000 0.786 1283 D N -0.647 119.744 120.400 -0.015 0.000 2.103 1283 D HA -0.139 4.501 4.640 -0.000 0.000 0.190 1283 D C 1.339 177.632 176.300 -0.011 0.000 0.997 1283 D CA 1.590 55.583 54.000 -0.012 0.000 0.833 1283 D CB -0.026 40.766 40.800 -0.013 0.000 0.961 1283 D HN 0.082 nan 8.370 nan 0.000 0.447 1284 R N -0.614 119.877 120.500 -0.014 0.000 3.076 1284 R HA 0.320 4.660 4.340 -0.000 0.000 0.239 1284 R C 0.433 176.725 176.300 -0.013 0.000 1.392 1284 R CA -0.416 55.677 56.100 -0.012 0.000 1.044 1284 R CB 0.722 31.014 30.300 -0.012 0.000 1.389 1284 R HN -0.142 nan 8.270 nan 0.000 0.498 1285 E N -0.724 119.469 120.200 -0.012 0.000 2.399 1285 E HA 0.210 4.560 4.350 -0.000 0.000 0.205 1285 E C -0.509 176.083 176.600 -0.012 0.000 0.906 1285 E CA 0.134 56.528 56.400 -0.011 0.000 0.998 1285 E CB 0.764 30.459 29.700 -0.008 0.000 1.002 1285 E HN 0.197 nan 8.360 nan 0.000 0.501 1286 V N 5.777 125.684 119.914 -0.011 0.000 2.222 1286 V HA 0.180 4.300 4.120 -0.000 0.000 0.253 1286 V C -1.922 174.162 176.094 -0.017 0.000 1.210 1286 V CA -1.113 61.180 62.300 -0.011 0.000 1.079 1286 V CB -0.018 31.802 31.823 -0.006 0.000 1.265 1286 V HN 0.248 nan 8.190 nan 0.000 0.494 1287 P HA 0.190 nan 4.420 nan 0.000 0.271 1287 P C -0.131 177.140 177.300 -0.048 0.000 1.238 1287 P CA -0.117 62.959 63.100 -0.040 0.000 0.794 1287 P CB 1.285 32.960 31.700 -0.041 0.000 0.959 1288 I N -0.021 120.497 120.570 -0.087 0.000 2.577 1288 I HA 0.421 4.591 4.170 -0.000 0.000 0.300 1288 I C 1.023 177.056 176.117 -0.139 0.000 0.990 1288 I CA -0.733 60.499 61.300 -0.114 0.000 1.283 1288 I CB 0.910 38.789 38.000 -0.202 0.000 1.411 1288 I HN 0.281 nan 8.210 nan 0.000 0.515 1289 R N 3.263 123.725 120.500 -0.063 0.000 2.628 1289 R HA 0.515 4.855 4.340 -0.000 0.000 0.288 1289 R C -1.884 174.564 176.300 0.247 0.000 0.980 1289 R CA -0.608 55.496 56.100 0.007 0.000 0.891 1289 R CB 1.833 32.158 30.300 0.042 0.000 1.188 1289 R HN 0.400 nan 8.270 nan 0.000 0.450 1290 Y N 1.457 121.761 120.300 0.007 0.000 2.499 1290 Y HA 0.481 5.031 4.550 -0.000 0.000 0.347 1290 Y C -0.270 175.637 175.900 0.013 0.000 0.987 1290 Y CA -1.322 56.784 58.100 0.010 0.000 1.044 1290 Y CB 2.028 40.494 38.460 0.010 0.000 1.245 1290 Y HN 0.460 nan 8.280 nan 0.000 0.461 1291 R N 2.096 122.687 120.500 0.151 0.000 2.494 1291 R HA 0.735 5.075 4.340 -0.000 0.000 0.305 1291 R C -1.900 174.431 176.300 0.051 0.000 0.959 1291 R CA -0.572 55.578 56.100 0.084 0.000 0.864 1291 R CB 0.950 31.284 30.300 0.056 0.000 1.159 1291 R HN 0.568 nan 8.270 nan 0.000 0.446 1292 I N 4.236 124.840 120.570 0.057 0.000 2.499 1292 I HA 0.399 4.569 4.170 -0.000 0.000 0.288 1292 I C -1.253 174.893 176.117 0.049 0.000 1.048 1292 I CA -0.414 60.911 61.300 0.042 0.000 1.062 1292 I CB 1.768 39.796 38.000 0.047 0.000 1.238 1292 I HN 0.887 nan 8.210 nan 0.000 0.426 1293 N N 3.891 122.625 118.700 0.056 0.000 3.387 1293 N HA 0.236 4.976 4.740 -0.000 0.000 0.322 1293 N C 0.377 175.962 175.510 0.125 0.000 1.588 1293 N CA -0.738 52.366 53.050 0.090 0.000 0.778 1293 N CB 0.250 38.797 38.487 0.101 0.000 1.883 1293 N HN 0.394 nan 8.380 nan 0.000 0.628 1294 Y N -0.246 120.086 120.300 0.054 0.000 2.384 1294 Y HA -0.143 4.407 4.550 -0.000 0.000 0.289 1294 Y C 1.326 177.269 175.900 0.071 0.000 1.152 1294 Y CA 1.456 59.598 58.100 0.071 0.000 1.258 1294 Y CB 0.204 38.715 38.460 0.086 0.000 0.979 1294 Y HN 0.590 nan 8.280 nan 0.000 0.549 1295 E N 0.180 120.539 120.200 0.265 0.000 2.150 1295 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 1295 E C 0.843 177.526 176.600 0.138 0.000 0.985 1295 E CA 1.666 58.177 56.400 0.185 0.000 0.814 1295 E CB -0.139 29.625 29.700 0.106 0.000 0.752 1295 E HN 0.827 nan 8.360 nan 0.000 0.466 1296 N N -1.943 116.812 118.700 0.093 0.000 2.184 1296 N HA 0.358 5.098 4.740 -0.000 0.000 0.234 1296 N C 0.972 176.494 175.510 0.021 0.000 1.282 1296 N CA 0.399 53.480 53.050 0.051 0.000 0.877 1296 N CB 0.563 39.060 38.487 0.017 0.000 1.184 1296 N HN 0.066 nan 8.380 nan 0.000 0.510 1297 A N 1.606 124.430 122.820 0.006 0.000 2.182 1297 A HA -0.224 4.096 4.320 -0.000 0.000 0.235 1297 A C 0.872 178.433 177.584 -0.037 0.000 1.757 1297 A CA 1.051 53.059 52.037 -0.048 0.000 0.923 1297 A CB -1.141 17.768 19.000 -0.152 0.000 0.784 1297 A HN 0.344 nan 8.150 nan 0.000 0.514 1298 L N 0.155 121.347 121.223 -0.051 0.000 2.699 1298 L HA 0.282 4.622 4.340 -0.000 0.000 0.283 1298 L C -0.315 176.558 176.870 0.006 0.000 1.166 1298 L CA 0.850 55.674 54.840 -0.028 0.000 1.043 1298 L CB -0.963 41.070 42.059 -0.044 0.000 1.369 1298 L HN 0.579 nan 8.230 nan 0.000 0.462 1299 L N 2.897 124.126 121.223 0.010 0.000 2.505 1299 L HA 0.646 4.986 4.340 -0.000 0.000 0.259 1299 L C -0.301 176.581 176.870 0.019 0.000 0.952 1299 L CA -0.393 54.460 54.840 0.021 0.000 0.840 1299 L CB 1.955 44.015 42.059 0.003 0.000 1.358 1299 L HN 0.429 nan 8.230 nan 0.000 0.409 1300 A N 4.159 127.000 122.820 0.036 0.000 2.444 1300 A HA 0.628 4.948 4.320 -0.000 0.000 0.273 1300 A C -0.429 177.174 177.584 0.030 0.000 1.136 1300 A CA -0.317 51.748 52.037 0.047 0.000 0.799 1300 A CB -0.226 18.815 19.000 0.069 0.000 1.081 1300 A HN 0.507 nan 8.150 nan 0.000 0.509 1301 R N 3.226 123.770 120.500 0.074 0.000 2.335 1301 R HA 0.396 4.736 4.340 -0.000 0.000 0.302 1301 R C -1.091 175.375 176.300 0.276 0.000 1.147 1301 R CA -0.187 56.003 56.100 0.150 0.000 1.111 1301 R CB 0.094 30.508 30.300 0.191 0.000 1.122 1301 R HN 0.585 nan 8.270 nan 0.000 0.557 1302 T N 0.546 115.236 114.554 0.225 0.000 2.863 1302 T HA 0.596 4.946 4.350 -0.000 0.000 0.285 1302 T C -0.432 174.364 174.700 0.159 0.000 1.009 1302 T CA -0.650 61.550 62.100 0.168 0.000 0.989 1302 T CB 2.477 71.423 68.868 0.130 0.000 1.004 1302 T HN 0.107 nan 8.240 nan 0.000 0.455 1303 V N 2.897 122.871 119.914 0.100 0.000 2.733 1303 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 1303 V C -0.693 175.428 176.094 0.045 0.000 1.084 1303 V CA -0.847 61.490 62.300 0.061 0.000 0.905 1303 V CB 2.108 33.935 31.823 0.007 0.000 1.010 1303 V HN 0.968 nan 8.190 nan 0.000 0.424 1304 E N 3.074 123.301 120.200 0.045 0.000 2.249 1304 E HA 0.705 5.055 4.350 -0.000 0.000 0.263 1304 E C -1.234 175.384 176.600 0.030 0.000 0.950 1304 E CA -0.477 55.951 56.400 0.048 0.000 0.827 1304 E CB 2.481 32.219 29.700 0.063 0.000 1.220 1304 E HN 0.494 nan 8.360 nan 0.000 0.411 1305 T N 0.714 115.288 114.554 0.033 0.000 2.894 1305 T HA 0.402 4.752 4.350 -0.000 0.000 0.309 1305 T C -0.673 174.046 174.700 0.032 0.000 1.208 1305 T CA -0.686 61.427 62.100 0.022 0.000 1.016 1305 T CB 1.074 69.947 68.868 0.009 0.000 1.192 1305 T HN 0.391 nan 8.240 nan 0.000 0.491 1306 K N 2.368 122.783 120.400 0.025 0.000 3.109 1306 K HA 0.453 4.773 4.320 -0.000 0.000 0.214 1306 K C -1.136 175.477 176.600 0.022 0.000 1.196 1306 K CA -0.431 55.874 56.287 0.031 0.000 1.115 1306 K CB 0.439 32.954 32.500 0.026 0.000 1.103 1306 K HN 0.166 nan 8.250 nan 0.000 0.467 1307 L N 1.404 122.636 121.223 0.015 0.000 2.614 1307 L HA 0.208 4.548 4.340 -0.000 0.000 0.264 1307 L C -1.229 175.637 176.870 -0.007 0.000 0.940 1307 L CA -0.642 54.201 54.840 0.005 0.000 0.903 1307 L CB 1.583 43.642 42.059 0.000 0.000 1.306 1307 L HN 0.214 nan 8.230 nan 0.000 0.410 1308 N N 5.199 123.887 118.700 -0.020 0.000 2.497 1308 N HA 0.319 5.059 4.740 -0.000 0.000 0.268 1308 N C -1.016 174.471 175.510 -0.038 0.000 1.171 1308 N CA 0.230 53.256 53.050 -0.041 0.000 0.948 1308 N CB 1.033 39.472 38.487 -0.081 0.000 1.069 1308 N HN 0.777 nan 8.380 nan 0.000 0.460 1309 Q N 0.809 120.587 119.800 -0.036 0.000 2.829 1309 Q HA 0.221 4.561 4.340 -0.000 0.000 0.296 1309 Q C -1.946 174.036 176.000 -0.031 0.000 0.893 1309 Q CA -0.962 54.822 55.803 -0.032 0.000 0.772 1309 Q CB 0.435 29.159 28.738 -0.024 0.000 1.489 1309 Q HN 0.392 nan 8.270 nan 0.000 0.420 1310 D N 1.647 122.030 120.400 -0.028 0.000 2.382 1310 D HA 0.203 4.843 4.640 -0.000 0.000 0.259 1310 D C -0.244 176.040 176.300 -0.027 0.000 1.224 1310 D CA 0.467 54.450 54.000 -0.027 0.000 0.894 1310 D CB 0.422 41.207 40.800 -0.024 0.000 1.127 1310 D HN 0.276 nan 8.370 nan 0.000 0.487 1311 I N 1.625 122.178 120.570 -0.028 0.000 2.532 1311 I HA 0.088 4.258 4.170 -0.000 0.000 0.292 1311 I C 1.003 177.103 176.117 -0.029 0.000 1.014 1311 I CA 0.148 61.431 61.300 -0.029 0.000 1.340 1311 I CB 1.162 39.144 38.000 -0.030 0.000 1.422 1311 I HN 0.107 nan 8.210 nan 0.000 0.528 1312 T N 5.266 119.801 114.554 -0.032 0.000 3.068 1312 T HA 0.410 4.760 4.350 -0.000 0.000 0.364 1312 T C -0.423 174.255 174.700 -0.036 0.000 1.161 1312 T CA -0.556 61.526 62.100 -0.030 0.000 1.155 1312 T CB 0.424 69.277 68.868 -0.026 0.000 1.060 1312 T HN 0.358 nan 8.240 nan 0.000 0.513 1313 V N 1.628 121.521 119.914 -0.034 0.000 2.785 1313 V HA 0.832 4.952 4.120 -0.000 0.000 0.300 1313 V C 0.156 176.234 176.094 -0.026 0.000 1.062 1313 V CA -0.551 61.727 62.300 -0.037 0.000 1.029 1313 V CB 1.347 33.151 31.823 -0.033 0.000 1.024 1313 V HN 0.692 nan 8.190 nan 0.000 0.477 1314 T N 2.954 117.494 114.554 -0.024 0.000 3.050 1314 T HA 0.695 5.045 4.350 -0.000 0.000 0.310 1314 T C -0.279 174.418 174.700 -0.006 0.000 0.978 1314 T CA 0.063 62.154 62.100 -0.014 0.000 1.013 1314 T CB 1.262 70.122 68.868 -0.014 0.000 1.000 1314 T HN 1.242 nan 8.240 nan 0.000 0.447 1315 A N 2.430 125.249 122.820 -0.000 0.000 2.328 1315 A HA 0.711 5.031 4.320 -0.000 0.000 0.318 1315 A C 0.248 177.839 177.584 0.011 0.000 1.347 1315 A CA -0.649 51.393 52.037 0.009 0.000 0.842 1315 A CB 0.720 19.727 19.000 0.011 0.000 1.148 1315 A HN 0.610 nan 8.150 nan 0.000 0.499 1316 S N 2.376 118.085 115.700 0.015 0.000 2.423 1316 S HA 0.720 5.190 4.470 -0.000 0.000 0.317 1316 S C 0.367 174.980 174.600 0.021 0.000 1.065 1316 S CA 0.394 58.603 58.200 0.015 0.000 1.111 1316 S CB 0.041 63.250 63.200 0.014 0.000 0.968 1316 S HN 1.666 nan 8.310 nan 0.000 0.474 1317 G N 3.453 112.265 108.800 0.020 0.000 2.427 1317 G HA2 0.285 4.245 3.960 -0.000 0.000 0.306 1317 G HA3 0.285 4.245 3.960 -0.000 0.000 0.306 1317 G C -0.782 174.131 174.900 0.023 0.000 1.280 1317 G CA -0.534 44.581 45.100 0.025 0.000 0.837 1317 G HN 0.504 nan 8.290 nan 0.000 0.482 1318 D N -0.125 120.291 120.400 0.026 0.000 2.799 1318 D HA 0.194 4.834 4.640 -0.000 0.000 0.267 1318 D C 1.879 178.191 176.300 0.020 0.000 1.468 1318 D CA 0.664 54.679 54.000 0.025 0.000 1.077 1318 D CB -0.439 40.380 40.800 0.033 0.000 1.065 1318 D HN 0.585 nan 8.370 nan 0.000 0.359 1319 G N 0.905 109.719 108.800 0.023 0.000 2.379 1319 G HA2 0.065 4.025 3.960 -0.000 0.000 0.287 1319 G HA3 0.065 4.025 3.960 -0.000 0.000 0.287 1319 G C 0.152 175.057 174.900 0.007 0.000 1.422 1319 G CA -0.045 45.063 45.100 0.013 0.000 1.081 1319 G HN 0.065 nan 8.290 nan 0.000 0.569 1320 K N -1.061 119.338 120.400 -0.001 0.000 2.238 1320 K HA 0.686 5.006 4.320 -0.000 0.000 0.239 1320 K C -0.421 176.178 176.600 -0.003 0.000 0.987 1320 K CA -0.472 55.813 56.287 -0.003 0.000 0.857 1320 K CB 2.230 34.724 32.500 -0.009 0.000 1.154 1320 K HN 0.651 nan 8.250 nan 0.000 0.439 1321 A N 0.527 123.347 122.820 0.000 0.000 2.606 1321 A HA 0.593 4.913 4.320 -0.000 0.000 0.293 1321 A C -1.277 176.308 177.584 0.003 0.000 1.082 1321 A CA -0.576 51.463 52.037 0.004 0.000 0.685 1321 A CB 2.069 21.080 19.000 0.018 0.000 1.284 1321 A HN 0.471 nan 8.150 nan 0.000 0.408 1322 T N 1.596 116.152 114.554 0.004 0.000 2.809 1322 T HA 0.581 4.930 4.350 -0.000 0.000 0.284 1322 T C -0.576 174.130 174.700 0.010 0.000 0.992 1322 T CA -0.094 62.007 62.100 0.002 0.000 0.957 1322 T CB 0.572 69.437 68.868 -0.005 0.000 0.942 1322 T HN 0.705 nan 8.240 nan 0.000 0.439 1323 M N 3.904 123.508 119.600 0.006 0.000 2.364 1323 M HA 0.664 5.144 4.480 -0.000 0.000 0.334 1323 M C -1.101 175.200 176.300 0.001 0.000 1.107 1323 M CA -0.184 55.121 55.300 0.009 0.000 0.988 1323 M CB 1.522 34.125 32.600 0.005 0.000 1.673 1323 M HN 0.549 nan 8.290 nan 0.000 0.441 1324 T N 4.402 118.959 114.554 0.005 0.000 3.031 1324 T HA 0.523 4.873 4.350 -0.000 0.000 0.305 1324 T C -0.569 174.132 174.700 0.001 0.000 0.985 1324 T CA -0.531 61.567 62.100 -0.003 0.000 1.008 1324 T CB 0.566 69.431 68.868 -0.004 0.000 1.005 1324 T HN 0.619 nan 8.240 nan 0.000 0.444 1325 I N 4.083 124.646 120.570 -0.011 0.000 2.312 1325 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 1325 I C -0.420 175.680 176.117 -0.028 0.000 1.008 1325 I CA -0.945 60.348 61.300 -0.011 0.000 1.226 1325 I CB 1.361 39.350 38.000 -0.019 0.000 1.371 1325 I HN 0.384 nan 8.210 nan 0.000 0.468 1326 L N 7.137 128.351 121.223 -0.015 0.000 2.305 1326 L HA 0.592 4.932 4.340 -0.000 0.000 0.284 1326 L C -0.702 176.127 176.870 -0.068 0.000 1.013 1326 L CA 0.186 54.990 54.840 -0.059 0.000 0.819 1326 L CB 1.584 43.641 42.059 -0.003 0.000 1.227 1326 L HN 0.559 nan 8.230 nan 0.000 0.417 1327 T N 4.543 118.987 114.554 -0.183 0.000 2.916 1327 T HA 0.674 5.024 4.350 -0.000 0.000 0.292 1327 T C -1.209 173.345 174.700 -0.243 0.000 1.055 1327 T CA -0.250 61.788 62.100 -0.104 0.000 1.009 1327 T CB 1.721 70.548 68.868 -0.069 0.000 1.118 1327 T HN 0.336 nan 8.240 nan 0.000 0.497 1328 F N 2.089 122.138 119.950 0.166 0.000 2.574 1328 F HA 0.638 5.165 4.527 -0.000 0.000 0.313 1328 F C -0.610 175.386 175.800 0.325 0.000 1.130 1328 F CA -0.871 57.261 58.000 0.221 0.000 0.936 1328 F CB 1.662 40.744 39.000 0.137 0.000 1.219 1328 F HN 0.717 nan 8.300 nan 0.000 0.445 1329 Y N 0.076 120.508 120.300 0.220 0.000 2.713 1329 Y HA 0.537 5.087 4.550 -0.000 0.000 0.335 1329 Y C -1.633 174.328 175.900 0.102 0.000 1.222 1329 Y CA -1.493 56.683 58.100 0.126 0.000 1.061 1329 Y CB 1.245 39.749 38.460 0.074 0.000 1.314 1329 Y HN 0.483 nan 8.280 nan 0.000 0.453 1330 N N 0.999 119.681 118.700 -0.030 0.000 2.472 1330 N HA 0.786 5.526 4.740 -0.000 0.000 0.289 1330 N C -0.943 174.451 175.510 -0.193 0.000 1.156 1330 N CA -0.477 52.491 53.050 -0.137 0.000 0.940 1330 N CB 2.157 40.626 38.487 -0.030 0.000 1.200 1330 N HN 0.889 nan 8.380 nan 0.000 0.511 1331 A N 0.187 122.904 122.820 -0.172 0.000 2.583 1331 A HA 0.680 5.000 4.320 -0.000 0.000 0.299 1331 A C -1.731 175.816 177.584 -0.062 0.000 1.258 1331 A CA -0.302 51.666 52.037 -0.116 0.000 0.682 1331 A CB 2.002 20.891 19.000 -0.186 0.000 1.332 1331 A HN 0.680 nan 8.150 nan 0.000 0.485 1332 Q N -0.679 119.099 119.800 -0.036 0.000 3.012 1332 Q HA 0.421 4.761 4.340 -0.000 0.000 0.285 1332 Q C -2.437 173.555 176.000 -0.014 0.000 0.922 1332 Q CA -0.379 55.407 55.803 -0.027 0.000 0.813 1332 Q CB -0.305 28.419 28.738 -0.023 0.000 1.779 1332 Q HN 0.922 nan 8.270 nan 0.000 0.500 1340 c N 5.240 123.854 118.600 0.024 0.000 3.283 1340 c HA -0.022 4.548 4.570 -0.000 0.000 0.317 1340 c C 0.251 174.364 174.090 0.039 0.000 0.859 1340 c CA 0.653 57.006 56.329 0.040 0.000 2.741 1340 c CB -2.140 40.393 42.510 0.039 0.000 1.468 1340 c HN 1.879 nan 8.230 nan 0.000 0.485 1341 N N 3.364 122.086 118.700 0.036 0.000 3.061 1341 N HA 0.649 5.389 4.740 -0.000 0.000 0.346 1341 N C 0.732 176.246 175.510 0.008 0.000 1.392 1341 N CA 0.229 53.278 53.050 -0.001 0.000 0.762 1341 N CB 0.385 38.850 38.487 -0.036 0.000 1.367 1341 N HN 0.557 nan 8.380 nan 0.000 0.607 1342 K N -0.932 119.390 120.400 -0.131 0.000 10.883 1342 K HA -0.228 4.092 4.320 -0.000 0.000 0.526 1342 K C -0.403 175.936 176.600 -0.435 0.000 0.382 1342 K CA 1.867 57.951 56.287 -0.338 0.000 1.943 1342 K CB -1.780 30.678 32.500 -0.069 0.000 0.766 1342 K HN 0.604 nan 8.250 nan 0.000 1.214 1343 F N 1.657 121.575 119.950 -0.052 0.000 2.426 1343 F HA 0.349 4.876 4.527 -0.000 0.000 0.348 1343 F C 1.131 176.985 175.800 0.091 0.000 1.124 1343 F CA -0.743 57.277 58.000 0.033 0.000 1.008 1343 F CB 1.199 40.247 39.000 0.080 0.000 1.139 1343 F HN 0.097 nan 8.300 nan 0.000 0.452 1344 H N 3.063 122.206 119.070 0.121 0.000 2.871 1344 H HA 0.447 5.003 4.556 -0.000 0.000 0.355 1344 H C -0.732 174.667 175.328 0.118 0.000 1.092 1344 H CA -0.318 55.780 56.048 0.083 0.000 1.420 1344 H CB 1.128 30.919 29.762 0.049 0.000 1.400 1344 H HN 0.619 nan 8.280 nan 0.000 0.604 1345 L N 3.393 124.676 121.223 0.100 0.000 2.847 1345 L HA 0.246 4.586 4.340 -0.000 0.000 0.261 1345 L C -1.925 174.913 176.870 -0.054 0.000 0.926 1345 L CA -0.411 54.445 54.840 0.027 0.000 1.010 1345 L CB 1.327 43.412 42.059 0.044 0.000 1.538 1345 L HN 0.915 nan 8.230 nan 0.000 0.465 1346 N N 2.959 121.612 118.700 -0.079 0.000 2.331 1346 N HA 0.799 5.539 4.740 -0.000 0.000 0.280 1346 N C -1.651 173.810 175.510 -0.081 0.000 1.155 1346 N CA -1.100 51.905 53.050 -0.075 0.000 0.822 1346 N CB 2.447 40.888 38.487 -0.076 0.000 1.619 1346 N HN 0.327 nan 8.380 nan 0.000 0.476 1347 V N 0.682 120.551 119.914 -0.075 0.000 2.713 1347 V HA 0.758 4.878 4.120 -0.000 0.000 0.307 1347 V C 0.134 176.177 176.094 -0.085 0.000 1.052 1347 V CA -0.400 61.833 62.300 -0.111 0.000 0.967 1347 V CB 1.275 33.019 31.823 -0.130 0.000 1.019 1347 V HN 0.972 nan 8.190 nan 0.000 0.459 1348 S N 2.119 117.744 115.700 -0.125 0.000 2.607 1348 S HA 0.869 5.339 4.470 -0.000 0.000 0.273 1348 S C -1.196 173.327 174.600 -0.128 0.000 1.148 1348 S CA -0.709 57.438 58.200 -0.087 0.000 0.833 1348 S CB 2.005 65.166 63.200 -0.066 0.000 1.130 1348 S HN 1.419 nan 8.310 nan 0.000 0.470 1349 V N 1.099 120.969 119.914 -0.074 0.000 2.852 1349 V HA 0.859 4.979 4.120 -0.000 0.000 0.300 1349 V C -2.414 173.654 176.094 -0.043 0.000 1.205 1349 V CA -0.102 62.149 62.300 -0.082 0.000 0.940 1349 V CB 1.571 33.371 31.823 -0.037 0.000 1.047 1349 V HN 1.501 nan 8.190 nan 0.000 0.429 1350 E N 3.111 123.284 120.200 -0.045 0.000 2.398 1350 E HA 0.399 4.749 4.350 -0.000 0.000 0.280 1350 E C -1.426 175.171 176.600 -0.005 0.000 1.122 1350 E CA -0.807 55.580 56.400 -0.022 0.000 0.873 1350 E CB 0.126 29.815 29.700 -0.019 0.000 1.294 1350 E HN 0.648 nan 8.360 nan 0.000 0.435 1351 N N 0.441 119.147 118.700 0.010 0.000 2.482 1351 N HA 0.595 5.335 4.740 -0.000 0.000 0.260 1351 N C -0.295 175.241 175.510 0.044 0.000 1.236 1351 N CA -0.067 53.005 53.050 0.038 0.000 0.938 1351 N CB 0.528 39.040 38.487 0.042 0.000 1.128 1351 N HN 0.502 nan 8.380 nan 0.000 0.448 1352 I N -0.569 120.046 120.570 0.074 0.000 2.913 1352 I HA 0.166 4.336 4.170 -0.000 0.000 0.302 1352 I C -1.036 175.176 176.117 0.158 0.000 1.246 1352 I CA -0.866 60.488 61.300 0.090 0.000 1.010 1352 I CB 1.982 40.021 38.000 0.065 0.000 1.259 1352 I HN 0.457 nan 8.210 nan 0.000 0.434 1353 H N 4.511 123.596 119.070 0.025 0.000 2.723 1353 H HA 0.447 5.003 4.556 -0.000 0.000 0.294 1353 H C -1.000 174.345 175.328 0.029 0.000 1.079 1353 H CA -0.056 56.008 56.048 0.028 0.000 1.411 1353 H CB 1.147 30.921 29.762 0.020 0.000 1.439 1353 H HN 0.393 nan 8.280 nan 0.000 0.474 1354 L N 6.258 127.392 121.223 -0.148 0.000 2.371 1354 L HA 0.336 4.676 4.340 -0.000 0.000 0.262 1354 L C -0.435 176.277 176.870 -0.264 0.000 1.054 1354 L CA -0.213 54.537 54.840 -0.149 0.000 0.924 1354 L CB -0.309 41.724 42.059 -0.044 0.000 1.295 1354 L HN 0.647 nan 8.230 nan 0.000 0.441 1361 G N 0.737 109.549 108.800 0.020 0.000 2.733 1361 G HA2 0.635 4.595 3.960 -0.000 0.000 0.297 1361 G HA3 0.635 4.595 3.960 -0.000 0.000 0.297 1361 G C -1.926 173.077 174.900 0.171 0.000 1.452 1361 G CA 0.148 45.304 45.100 0.093 0.000 0.940 1361 G HN 0.341 nan 8.290 nan 0.000 0.547 1362 A N 1.446 124.393 122.820 0.212 0.000 2.427 1362 A HA 0.939 5.259 4.320 -0.000 0.000 0.298 1362 A C -0.670 177.018 177.584 0.173 0.000 1.036 1362 A CA -0.563 51.591 52.037 0.196 0.000 0.701 1362 A CB 1.197 20.272 19.000 0.125 0.000 1.250 1362 A HN 2.098 nan 8.150 nan 0.000 0.412 1363 L N -0.023 121.282 121.223 0.136 0.000 2.556 1363 L HA 0.889 5.229 4.340 -0.000 0.000 0.257 1363 L C -0.995 175.867 176.870 -0.014 0.000 0.955 1363 L CA -0.954 53.912 54.840 0.044 0.000 0.850 1363 L CB 1.978 44.039 42.059 0.004 0.000 1.398 1363 L HN 0.705 nan 8.230 nan 0.000 0.412 1364 M N 3.192 122.770 119.600 -0.036 0.000 2.233 1364 M HA 0.578 5.058 4.480 -0.000 0.000 0.355 1364 M C -1.446 174.758 176.300 -0.160 0.000 1.191 1364 M CA -0.307 54.947 55.300 -0.077 0.000 1.101 1364 M CB 1.352 33.932 32.600 -0.034 0.000 1.592 1364 M HN 0.640 nan 8.290 nan 0.000 0.461 1365 L N 5.389 126.440 121.223 -0.286 0.000 2.329 1365 L HA 0.631 4.971 4.340 -0.000 0.000 0.279 1365 L C -1.198 175.447 176.870 -0.376 0.000 1.014 1365 L CA -0.155 54.421 54.840 -0.440 0.000 0.814 1365 L CB 1.343 42.964 42.059 -0.731 0.000 1.257 1365 L HN 0.842 nan 8.230 nan 0.000 0.424 1366 K N 5.912 126.132 120.400 -0.301 0.000 2.541 1366 K HA 0.652 4.972 4.320 -0.000 0.000 0.250 1366 K C -1.751 174.732 176.600 -0.196 0.000 0.950 1366 K CA -0.453 55.725 56.287 -0.181 0.000 0.805 1366 K CB 1.173 33.608 32.500 -0.108 0.000 1.166 1366 K HN 0.623 nan 8.250 nan 0.000 0.430 1367 I N 3.050 123.526 120.570 -0.158 0.000 2.509 1367 I HA 0.456 4.626 4.170 -0.000 0.000 0.293 1367 I C -0.702 175.369 176.117 -0.077 0.000 1.020 1367 I CA -1.106 60.114 61.300 -0.134 0.000 1.088 1367 I CB 1.971 39.884 38.000 -0.145 0.000 1.267 1367 I HN 0.538 nan 8.210 nan 0.000 0.430 1368 c N 3.424 121.984 118.600 -0.066 0.000 2.498 1368 c HA 0.876 5.446 4.570 -0.000 0.000 0.316 1368 c C 0.210 174.298 174.090 -0.004 0.000 1.209 1368 c CA -0.067 56.240 56.329 -0.038 0.000 1.518 1368 c CB 1.870 44.346 42.510 -0.057 0.000 2.147 1368 c HN 0.914 nan 8.230 nan 0.000 0.483 1369 T N 2.216 116.798 114.554 0.046 0.000 2.749 1369 T HA 0.734 5.084 4.350 -0.000 0.000 0.310 1369 T C -1.980 172.835 174.700 0.191 0.000 1.496 1369 T CA -0.557 61.620 62.100 0.129 0.000 1.006 1369 T CB 1.473 70.424 68.868 0.138 0.000 1.457 1369 T HN 0.925 nan 8.240 nan 0.000 0.497 1370 R N 2.175 122.853 120.500 0.296 0.000 2.937 1370 R HA 0.259 4.599 4.340 -0.000 0.000 0.273 1370 R C -1.768 174.653 176.300 0.201 0.000 1.176 1370 R CA -0.688 55.563 56.100 0.251 0.000 1.132 1370 R CB 0.507 30.910 30.300 0.173 0.000 1.270 1370 R HN 0.730 nan 8.270 nan 0.000 0.425 1371 Y N 3.801 124.058 120.300 -0.073 0.000 2.469 1371 Y HA 0.149 4.699 4.550 -0.000 0.000 0.353 1371 Y C -0.184 175.573 175.900 -0.238 0.000 1.269 1371 Y CA 0.903 58.684 58.100 -0.532 0.000 1.504 1371 Y CB 0.616 38.815 38.460 -0.435 0.000 1.369 1371 Y HN 0.603 nan 8.280 nan 0.000 0.654 1372 L N 3.921 124.836 121.223 -0.512 0.000 2.481 1372 L HA 0.328 4.668 4.340 -0.000 0.000 0.263 1372 L C 0.010 176.686 176.870 -0.323 0.000 1.537 1372 L CA -0.071 54.625 54.840 -0.240 0.000 0.741 1372 L CB -0.035 41.900 42.059 -0.206 0.000 0.974 1372 L HN 0.863 nan 8.230 nan 0.000 0.519 1373 G N -0.498 108.188 108.800 -0.191 0.000 2.782 1373 G HA2 0.261 4.221 3.960 -0.000 0.000 0.201 1373 G HA3 0.261 4.221 3.960 -0.000 0.000 0.201 1373 G C 0.270 175.127 174.900 -0.073 0.000 1.374 1373 G CA -0.037 45.034 45.100 -0.048 0.000 1.039 1373 G HN 0.317 nan 8.290 nan 0.000 0.576 1374 E N -1.552 118.557 120.200 -0.151 0.000 2.318 1374 E HA 0.143 4.493 4.350 -0.000 0.000 0.193 1374 E C 1.116 177.263 176.600 -0.756 0.000 0.998 1374 E CA 0.263 56.479 56.400 -0.306 0.000 0.859 1374 E CB 0.447 30.049 29.700 -0.163 0.000 0.812 1374 E HN 0.399 nan 8.360 nan 0.000 0.492 1375 V N -2.377 117.189 119.914 -0.579 0.000 3.155 1375 V HA 0.477 4.597 4.120 -0.000 0.000 0.313 1375 V C -0.448 175.448 176.094 -0.330 0.000 1.162 1375 V CA -1.304 60.695 62.300 -0.502 0.000 1.048 1375 V CB 1.837 33.511 31.823 -0.248 0.000 1.092 1375 V HN -0.281 nan 8.190 nan 0.000 0.447 1376 D N 2.514 122.849 120.400 -0.108 0.000 2.390 1376 D HA 0.299 4.939 4.640 -0.000 0.000 0.249 1376 D C 0.564 176.674 176.300 -0.317 0.000 1.144 1376 D CA 0.599 54.565 54.000 -0.057 0.000 0.880 1376 D CB 1.279 42.089 40.800 0.017 0.000 1.182 1376 D HN 0.986 nan 8.370 nan 0.000 0.451 1377 S N 1.342 116.757 115.700 -0.475 0.000 2.515 1377 S HA 0.126 4.596 4.470 -0.000 0.000 0.285 1377 S C 0.403 174.885 174.600 -0.197 0.000 1.265 1377 S CA -0.762 57.050 58.200 -0.647 0.000 1.079 1377 S CB 0.705 63.631 63.200 -0.457 0.000 0.877 1377 S HN 0.399 nan 8.310 nan 0.000 0.493 1378 T N 4.570 119.037 114.554 -0.145 0.000 2.909 1378 T HA 0.321 4.671 4.350 -0.000 0.000 0.289 1378 T C 0.520 175.252 174.700 0.053 0.000 1.005 1378 T CA -0.627 61.463 62.100 -0.017 0.000 1.084 1378 T CB -0.113 68.775 68.868 0.034 0.000 0.975 1378 T HN 0.766 nan 8.240 nan 0.000 0.509 1379 M N 3.854 123.445 119.600 -0.015 0.000 3.892 1379 M HA -0.133 4.347 4.480 -0.000 0.000 0.158 1379 M C -0.049 176.275 176.300 0.041 0.000 1.509 1379 M CA 0.928 56.164 55.300 -0.106 0.000 1.050 1379 M CB -2.436 29.938 32.600 -0.376 0.000 1.335 1379 M HN 0.938 nan 8.290 nan 0.000 0.336 1380 T N 3.104 117.719 114.554 0.101 0.000 2.940 1380 T HA 0.903 5.253 4.350 -0.000 0.000 0.288 1380 T C 0.392 175.169 174.700 0.128 0.000 1.045 1380 T CA -0.880 61.314 62.100 0.157 0.000 1.018 1380 T CB 2.523 71.474 68.868 0.138 0.000 1.151 1380 T HN 0.527 nan 8.240 nan 0.000 0.529 1381 I N 1.570 122.146 120.570 0.010 0.000 2.533 1381 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 1381 I C -1.280 174.588 176.117 -0.415 0.000 1.056 1381 I CA -1.016 60.169 61.300 -0.192 0.000 1.057 1381 I CB 1.909 39.837 38.000 -0.119 0.000 1.240 1381 I HN 0.342 nan 8.210 nan 0.000 0.423 1382 I N 5.157 125.512 120.570 -0.359 0.000 2.354 1382 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 1382 I C -0.301 175.633 176.117 -0.304 0.000 0.989 1382 I CA -0.458 60.658 61.300 -0.307 0.000 1.188 1382 I CB 1.387 39.290 38.000 -0.161 0.000 1.342 1382 I HN 0.449 nan 8.210 nan 0.000 0.457 1383 D N 7.603 127.832 120.400 -0.285 0.000 2.492 1383 D HA 0.547 5.187 4.640 -0.000 0.000 0.248 1383 D C -0.980 175.271 176.300 -0.082 0.000 1.101 1383 D CA -0.249 53.631 54.000 -0.200 0.000 0.840 1383 D CB 1.607 42.262 40.800 -0.242 0.000 1.209 1383 D HN 0.302 nan 8.370 nan 0.000 0.524 1384 I N 2.272 122.836 120.570 -0.010 0.000 2.499 1384 I HA 0.195 4.365 4.170 -0.000 0.000 0.288 1384 I C 0.276 176.460 176.117 0.112 0.000 1.048 1384 I CA -0.829 60.510 61.300 0.066 0.000 1.062 1384 I CB 2.027 40.086 38.000 0.099 0.000 1.238 1384 I HN 0.245 nan 8.210 nan 0.000 0.426 1385 S N 6.700 122.497 115.700 0.162 0.000 2.608 1385 S HA 0.695 5.165 4.470 -0.000 0.000 0.291 1385 S C -0.423 174.298 174.600 0.203 0.000 1.146 1385 S CA -0.887 57.402 58.200 0.148 0.000 1.043 1385 S CB 1.854 65.119 63.200 0.108 0.000 1.037 1385 S HN 0.444 nan 8.310 nan 0.000 0.520 1386 M N 2.649 122.346 119.600 0.162 0.000 2.300 1386 M HA 0.387 4.867 4.480 -0.000 0.000 0.348 1386 M C -0.422 175.944 176.300 0.110 0.000 1.151 1386 M CA -0.665 54.754 55.300 0.198 0.000 1.046 1386 M CB 0.950 33.691 32.600 0.236 0.000 1.647 1386 M HN 0.713 nan 8.290 nan 0.000 0.451 1387 L N 2.210 123.460 121.223 0.046 0.000 2.554 1387 L HA 0.001 4.341 4.340 -0.000 0.000 0.293 1387 L C 0.817 177.852 176.870 0.275 0.000 1.252 1387 L CA 0.105 54.948 54.840 0.005 0.000 0.862 1387 L CB -0.557 41.434 42.059 -0.114 0.000 1.113 1387 L HN 0.699 nan 8.230 nan 0.000 0.510 1388 T N 1.154 115.787 114.554 0.132 0.000 2.933 1388 T HA 0.219 4.569 4.350 -0.000 0.000 0.306 1388 T C 1.267 176.079 174.700 0.187 0.000 1.045 1388 T CA 0.339 62.510 62.100 0.118 0.000 1.143 1388 T CB 0.621 69.501 68.868 0.020 0.000 1.003 1388 T HN 1.078 nan 8.240 nan 0.000 0.540 1389 G N 1.276 110.169 108.800 0.154 0.000 2.155 1389 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.257 1389 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.257 1389 G C -0.103 174.809 174.900 0.019 0.000 0.983 1389 G CA -0.213 44.985 45.100 0.163 0.000 0.676 1389 G HN 0.626 nan 8.290 nan 0.000 0.528 1390 F N -0.682 119.383 119.950 0.192 0.000 2.556 1390 F HA 0.858 5.385 4.527 -0.000 0.000 0.327 1390 F C 0.624 176.511 175.800 0.146 0.000 1.059 1390 F CA -0.982 57.118 58.000 0.166 0.000 0.953 1390 F CB 1.705 40.790 39.000 0.141 0.000 1.227 1390 F HN -0.004 nan 8.300 nan 0.000 0.478 1391 L N 1.685 123.124 121.223 0.359 0.000 2.415 1391 L HA 0.532 4.872 4.340 -0.000 0.000 0.256 1391 L C -2.768 174.234 176.870 0.219 0.000 1.010 1391 L CA -2.336 52.634 54.840 0.217 0.000 0.826 1391 L CB 2.693 44.825 42.059 0.123 0.000 1.405 1391 L HN 0.277 nan 8.230 nan 0.000 0.410 1392 P HA 0.044 nan 4.420 nan 0.000 0.275 1392 P C -1.267 176.026 177.300 -0.011 0.000 1.227 1392 P CA -0.233 62.905 63.100 0.062 0.000 0.781 1392 P CB 0.530 32.072 31.700 -0.263 0.000 0.906 1393 D N 2.547 122.968 120.400 0.036 0.000 2.339 1393 D HA 0.086 4.726 4.640 -0.000 0.000 0.256 1393 D C 1.090 177.348 176.300 -0.070 0.000 1.214 1393 D CA -0.078 53.931 54.000 0.015 0.000 0.877 1393 D CB 1.263 42.105 40.800 0.070 0.000 1.111 1393 D HN 0.280 nan 8.370 nan 0.000 0.478 1394 A N 5.141 127.941 122.820 -0.033 0.000 1.849 1394 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 1394 A C 1.976 179.563 177.584 0.004 0.000 1.202 1394 A CA 2.131 54.166 52.037 -0.002 0.000 0.629 1394 A CB -0.738 18.295 19.000 0.054 0.000 0.834 1394 A HN 0.854 nan 8.150 nan 0.000 0.447 1395 E N -0.279 119.925 120.200 0.006 0.000 2.097 1395 E HA -0.300 4.050 4.350 -0.000 0.000 0.196 1395 E C 1.391 177.983 176.600 -0.013 0.000 1.000 1395 E CA 1.737 58.140 56.400 0.005 0.000 0.804 1395 E CB -0.553 29.150 29.700 0.006 0.000 0.740 1395 E HN 0.544 nan 8.360 nan 0.000 0.454 1396 D N 0.522 120.902 120.400 -0.033 0.000 2.084 1396 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 1396 D C 1.901 178.145 176.300 -0.093 0.000 0.990 1396 D CA 0.894 54.864 54.000 -0.050 0.000 0.826 1396 D CB -0.287 40.497 40.800 -0.028 0.000 0.971 1396 D HN 0.094 nan 8.370 nan 0.000 0.453 1397 L N 0.703 121.808 121.223 -0.197 0.000 2.021 1397 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 1397 L C 2.310 179.130 176.870 -0.085 0.000 1.074 1397 L CA 1.843 56.505 54.840 -0.296 0.000 0.760 1397 L CB -1.163 40.633 42.059 -0.439 0.000 0.889 1397 L HN 0.134 nan 8.230 nan 0.000 0.433 1398 T N -1.637 112.924 114.554 0.011 0.000 2.746 1398 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 1398 T C 1.997 176.703 174.700 0.010 0.000 1.039 1398 T CA 1.262 63.386 62.100 0.040 0.000 1.142 1398 T CB -0.371 68.522 68.868 0.042 0.000 0.866 1398 T HN 0.289 nan 8.240 nan 0.000 0.444 1399 R N 0.697 121.199 120.500 0.003 0.000 2.241 1399 R HA 0.019 4.359 4.340 -0.000 0.000 0.224 1399 R C 1.993 178.311 176.300 0.030 0.000 1.101 1399 R CA 0.814 56.924 56.100 0.016 0.000 0.995 1399 R CB -0.341 29.969 30.300 0.017 0.000 0.870 1399 R HN 0.431 nan 8.270 nan 0.000 0.463 1400 L N -0.767 120.468 121.223 0.019 0.000 2.202 1400 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 1400 L C 2.503 179.391 176.870 0.031 0.000 1.083 1400 L CA 0.834 55.697 54.840 0.038 0.000 0.790 1400 L CB -0.451 41.629 42.059 0.036 0.000 0.942 1400 L HN 0.167 nan 8.230 nan 0.000 0.452 1401 S N 0.064 115.770 115.700 0.010 0.000 2.402 1401 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 1401 S C 1.097 175.701 174.600 0.006 0.000 1.030 1401 S CA 0.972 59.169 58.200 -0.004 0.000 1.003 1401 S CB -0.187 63.001 63.200 -0.019 0.000 0.813 1401 S HN 0.071 nan 8.310 nan 0.000 0.477 1402 K N 2.354 122.763 120.400 0.016 0.000 2.412 1402 K HA 0.534 4.854 4.320 -0.000 0.000 0.284 1402 K C 0.416 177.039 176.600 0.038 0.000 1.046 1402 K CA 0.781 57.081 56.287 0.022 0.000 0.999 1402 K CB -0.036 32.476 32.500 0.020 0.000 0.941 1402 K HN 0.531 nan 8.250 nan 0.000 0.474 1403 G N 0.116 108.942 108.800 0.043 0.000 2.351 1403 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.472 1403 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.472 1403 G C -0.021 174.920 174.900 0.068 0.000 1.570 1403 G CA -0.801 44.330 45.100 0.053 0.000 0.921 1403 G HN 0.138 nan 8.290 nan 0.000 0.674 1404 V N 0.656 120.606 119.914 0.060 0.000 3.573 1404 V HA 0.094 4.214 4.120 -0.000 0.000 0.270 1404 V C 1.786 177.923 176.094 0.070 0.000 1.221 1404 V CA 1.827 64.166 62.300 0.065 0.000 1.163 1404 V CB -0.225 31.624 31.823 0.045 0.000 0.847 1404 V HN 0.858 nan 8.190 nan 0.000 0.468 1405 D N 0.085 120.530 120.400 0.074 0.000 2.423 1405 D HA 0.058 4.698 4.640 -0.000 0.000 0.208 1405 D C 0.843 177.206 176.300 0.105 0.000 1.068 1405 D CA -0.073 53.972 54.000 0.074 0.000 0.860 1405 D CB 0.470 41.305 40.800 0.058 0.000 0.992 1405 D HN 0.384 nan 8.370 nan 0.000 0.504 1406 R N -0.593 119.984 120.500 0.128 0.000 2.564 1406 R HA 0.491 4.831 4.340 -0.000 0.000 0.284 1406 R C -1.860 174.570 176.300 0.217 0.000 1.031 1406 R CA -0.704 55.496 56.100 0.167 0.000 0.904 1406 R CB 2.020 32.393 30.300 0.122 0.000 1.199 1406 R HN 0.058 nan 8.270 nan 0.000 0.443 1407 Y N 3.571 123.963 120.300 0.154 0.000 2.442 1407 Y HA 0.608 5.158 4.550 -0.000 0.000 0.344 1407 Y C -1.354 174.692 175.900 0.242 0.000 0.976 1407 Y CA -1.168 57.029 58.100 0.162 0.000 1.040 1407 Y CB 1.423 39.959 38.460 0.126 0.000 1.228 1407 Y HN 0.402 nan 8.280 nan 0.000 0.451 1408 I N 4.715 125.070 120.570 -0.358 0.000 2.478 1408 I HA 0.233 4.403 4.170 -0.000 0.000 0.287 1408 I C -0.178 175.768 176.117 -0.285 0.000 1.042 1408 I CA -0.769 60.471 61.300 -0.100 0.000 1.067 1408 I CB 1.518 39.522 38.000 0.006 0.000 1.233 1408 I HN 0.649 nan 8.210 nan 0.000 0.431 1409 S N 4.816 120.575 115.700 0.099 0.000 2.563 1409 S HA 0.158 4.628 4.470 -0.000 0.000 0.284 1409 S C 0.551 175.202 174.600 0.085 0.000 1.331 1409 S CA -0.259 58.026 58.200 0.142 0.000 1.047 1409 S CB 0.294 63.639 63.200 0.242 0.000 0.859 1409 S HN 0.445 nan 8.310 nan 0.000 0.514 1410 R N 1.562 122.057 120.500 -0.008 0.000 2.697 1410 R HA 0.141 4.481 4.340 -0.000 0.000 0.265 1410 R C -0.806 175.492 176.300 -0.004 0.000 1.009 1410 R CA 0.738 56.766 56.100 -0.121 0.000 1.099 1410 R CB -0.231 30.009 30.300 -0.101 0.000 0.965 1410 R HN 0.634 nan 8.270 nan 0.000 0.428 1411 Y N -0.443 119.827 120.300 -0.050 0.000 2.482 1411 Y HA 0.413 4.963 4.550 -0.000 0.000 0.334 1411 Y C -1.000 174.872 175.900 -0.045 0.000 1.091 1411 Y CA -1.404 56.669 58.100 -0.045 0.000 1.027 1411 Y CB 0.908 39.335 38.460 -0.054 0.000 1.306 1411 Y HN 0.430 nan 8.280 nan 0.000 0.446 1412 E N 2.200 122.487 120.200 0.145 0.000 2.415 1412 E HA 0.349 4.699 4.350 -0.000 0.000 0.262 1412 E C -0.816 175.878 176.600 0.157 0.000 1.038 1412 E CA -0.107 56.342 56.400 0.082 0.000 0.921 1412 E CB 1.859 31.582 29.700 0.038 0.000 0.950 1412 E HN 0.541 nan 8.360 nan 0.000 0.438 1413 V N 2.342 122.308 119.914 0.086 0.000 2.760 1413 V HA 0.349 4.469 4.120 -0.000 0.000 0.309 1413 V C -0.703 175.417 176.094 0.043 0.000 1.077 1413 V CA -0.740 61.617 62.300 0.094 0.000 0.910 1413 V CB 2.324 34.208 31.823 0.102 0.000 1.008 1413 V HN 0.636 nan 8.190 nan 0.000 0.424 1414 D N 2.868 123.291 120.400 0.038 0.000 2.878 1414 D HA 0.262 4.902 4.640 -0.000 0.000 0.211 1414 D C -0.143 176.172 176.300 0.026 0.000 1.271 1414 D CA -0.554 53.461 54.000 0.024 0.000 0.845 1414 D CB 1.249 42.057 40.800 0.014 0.000 1.679 1414 D HN 0.544 nan 8.370 nan 0.000 0.536 1415 N N 2.940 121.654 118.700 0.023 0.000 2.702 1415 N HA -0.293 4.447 4.740 -0.000 0.000 0.255 1415 N C 0.091 175.619 175.510 0.030 0.000 0.983 1415 N CA 1.047 54.112 53.050 0.026 0.000 0.768 1415 N CB -0.721 37.784 38.487 0.029 0.000 0.918 1415 N HN 0.564 nan 8.380 nan 0.000 0.540 1416 N N -1.961 116.757 118.700 0.030 0.000 2.863 1416 N HA -0.232 4.508 4.740 -0.000 0.000 0.245 1416 N C -0.809 174.722 175.510 0.035 0.000 1.001 1416 N CA 1.750 54.819 53.050 0.032 0.000 0.901 1416 N CB -0.832 37.672 38.487 0.028 0.000 1.124 1416 N HN 0.611 nan 8.380 nan 0.000 0.582 1417 M N 0.232 119.855 119.600 0.037 0.000 2.478 1417 M HA 0.615 5.095 4.480 -0.000 0.000 0.327 1417 M C 0.590 176.902 176.300 0.021 0.000 1.187 1417 M CA -0.431 54.888 55.300 0.032 0.000 1.022 1417 M CB 1.829 34.456 32.600 0.046 0.000 1.629 1417 M HN 0.150 nan 8.290 nan 0.000 0.461 1418 A N 1.009 123.810 122.820 -0.031 0.000 2.306 1418 A HA 0.475 4.795 4.320 -0.000 0.000 0.330 1418 A C 0.002 177.558 177.584 -0.048 0.000 1.146 1418 A CA -0.636 51.362 52.037 -0.065 0.000 0.827 1418 A CB 0.813 19.576 19.000 -0.395 0.000 1.178 1418 A HN 0.783 nan 8.150 nan 0.000 0.490 1419 Q N 0.908 120.709 119.800 0.002 0.000 2.228 1419 Q HA 0.119 4.459 4.340 -0.000 0.000 0.211 1419 Q C -0.495 175.495 176.000 -0.018 0.000 0.890 1419 Q CA 0.439 56.237 55.803 -0.007 0.000 0.953 1419 Q CB 0.075 28.812 28.738 -0.001 0.000 1.053 1419 Q HN 0.497 nan 8.270 nan 0.000 0.471 1420 K N 0.535 120.913 120.400 -0.037 0.000 2.156 1420 K HA 0.275 4.595 4.320 -0.000 0.000 0.271 1420 K C 0.808 177.420 176.600 0.020 0.000 0.995 1420 K CA -0.306 55.972 56.287 -0.015 0.000 0.890 1420 K CB 2.335 34.813 32.500 -0.037 0.000 1.073 1420 K HN -0.188 nan 8.250 nan 0.000 0.454 1421 V N 0.794 120.739 119.914 0.052 0.000 3.174 1421 V HA 0.036 4.156 4.120 -0.000 0.000 0.254 1421 V C 0.679 176.828 176.094 0.092 0.000 1.120 1421 V CA 0.557 62.916 62.300 0.098 0.000 1.114 1421 V CB 0.122 32.025 31.823 0.134 0.000 0.756 1421 V HN 0.752 nan 8.190 nan 0.000 0.467 1422 A N 0.358 123.217 122.820 0.066 0.000 2.285 1422 A HA 0.692 5.012 4.320 -0.000 0.000 0.310 1422 A C -0.900 176.708 177.584 0.041 0.000 1.266 1422 A CA -0.264 51.811 52.037 0.063 0.000 0.832 1422 A CB 1.351 20.388 19.000 0.062 0.000 1.163 1422 A HN 0.035 nan 8.150 nan 0.000 0.499 1423 V N 5.551 125.487 119.914 0.037 0.000 2.435 1423 V HA 0.586 4.706 4.120 -0.000 0.000 0.290 1423 V C -0.476 175.617 176.094 -0.002 0.000 1.030 1423 V CA -0.556 61.742 62.300 -0.002 0.000 0.881 1423 V CB 1.449 33.238 31.823 -0.056 0.000 0.983 1423 V HN 0.790 nan 8.190 nan 0.000 0.445 1424 I N 5.274 125.839 120.570 -0.007 0.000 2.646 1424 I HA 0.652 4.822 4.170 -0.000 0.000 0.299 1424 I C -0.926 175.129 176.117 -0.103 0.000 1.036 1424 I CA -0.981 60.258 61.300 -0.100 0.000 1.074 1424 I CB 1.997 39.931 38.000 -0.110 0.000 1.258 1424 I HN 0.454 nan 8.210 nan 0.000 0.430 1425 I N 5.505 125.915 120.570 -0.266 0.000 2.500 1425 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 1425 I C -1.374 174.640 176.117 -0.172 0.000 1.063 1425 I CA -0.482 60.769 61.300 -0.080 0.000 1.062 1425 I CB 1.939 39.931 38.000 -0.013 0.000 1.223 1425 I HN 0.502 nan 8.210 nan 0.000 0.435 1426 Y N 6.413 126.832 120.300 0.198 0.000 2.341 1426 Y HA 0.506 5.055 4.550 -0.000 0.000 0.340 1426 Y C 0.073 176.066 175.900 0.157 0.000 0.997 1426 Y CA -1.117 57.105 58.100 0.204 0.000 1.149 1426 Y CB 1.042 39.662 38.460 0.267 0.000 1.171 1426 Y HN 0.262 nan 8.280 nan 0.000 0.494 1427 L N 0.282 121.628 121.223 0.205 0.000 2.330 1427 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 1427 L C 0.103 177.030 176.870 0.096 0.000 1.013 1427 L CA -1.100 53.826 54.840 0.143 0.000 0.816 1427 L CB 1.157 43.276 42.059 0.101 0.000 1.287 1427 L HN 0.512 nan 8.230 nan 0.000 0.435 1428 N N 0.812 119.552 118.700 0.067 0.000 2.331 1428 N HA -0.088 4.652 4.740 -0.000 0.000 0.180 1428 N C -0.106 175.410 175.510 0.010 0.000 1.019 1428 N CA 1.053 54.114 53.050 0.019 0.000 0.881 1428 N CB 0.056 38.554 38.487 0.017 0.000 0.972 1428 N HN 0.726 nan 8.380 nan 0.000 0.435 1429 K N -2.679 117.741 120.400 0.034 0.000 2.680 1429 K HA 0.625 4.945 4.320 -0.000 0.000 0.295 1429 K C -1.554 175.084 176.600 0.063 0.000 1.052 1429 K CA -0.878 55.428 56.287 0.032 0.000 0.863 1429 K CB 1.421 33.922 32.500 0.002 0.000 1.549 1429 K HN -0.270 nan 8.250 nan 0.000 0.391 1430 V N -0.055 119.903 119.914 0.073 0.000 2.852 1430 V HA 0.440 4.560 4.120 -0.000 0.000 0.300 1430 V C -0.511 175.651 176.094 0.112 0.000 1.205 1430 V CA -0.936 61.433 62.300 0.116 0.000 0.940 1430 V CB 2.132 34.076 31.823 0.203 0.000 1.047 1430 V HN 0.858 nan 8.190 nan 0.000 0.429 1431 S N 2.099 117.859 115.700 0.099 0.000 2.569 1431 S HA 0.092 4.562 4.470 -0.000 0.000 0.274 1431 S C 0.956 175.646 174.600 0.150 0.000 1.353 1431 S CA 0.113 58.364 58.200 0.085 0.000 1.023 1431 S CB 0.061 63.267 63.200 0.010 0.000 0.876 1431 S HN 1.033 nan 8.310 nan 0.000 0.540 1432 H N 0.366 119.472 119.070 0.059 0.000 2.542 1432 H HA 0.420 4.976 4.556 -0.000 0.000 0.283 1432 H C 0.598 175.945 175.328 0.033 0.000 1.059 1432 H CA 0.067 56.158 56.048 0.073 0.000 1.162 1432 H CB -0.116 29.707 29.762 0.101 0.000 1.539 1432 H HN 0.371 nan 8.280 nan 0.000 0.543 1433 S N 0.303 115.806 115.700 -0.328 0.000 2.998 1433 S HA 0.149 4.619 4.470 -0.000 0.000 0.208 1433 S C -0.055 174.467 174.600 -0.131 0.000 0.876 1433 S CA -0.097 57.893 58.200 -0.349 0.000 0.836 1433 S CB 0.622 63.608 63.200 -0.358 0.000 0.817 1433 S HN 0.268 nan 8.310 nan 0.000 0.631 1434 E N 1.660 121.817 120.200 -0.073 0.000 2.227 1434 E HA 0.439 4.789 4.350 -0.000 0.000 0.268 1434 E C -1.738 174.870 176.600 0.013 0.000 0.907 1434 E CA -0.658 55.727 56.400 -0.024 0.000 0.786 1434 E CB 0.615 30.300 29.700 -0.025 0.000 1.191 1434 E HN 0.024 nan 8.360 nan 0.000 0.411 1435 D N 2.641 123.059 120.400 0.028 0.000 2.455 1435 D HA -0.050 4.590 4.640 -0.000 0.000 0.265 1435 D C -0.508 175.807 176.300 0.026 0.000 1.284 1435 D CA 0.702 54.727 54.000 0.042 0.000 0.944 1435 D CB 0.177 40.992 40.800 0.024 0.000 1.121 1435 D HN 0.261 nan 8.370 nan 0.000 0.525 1436 E N 1.479 121.706 120.200 0.045 0.000 2.227 1436 E HA 0.407 4.757 4.350 -0.000 0.000 0.282 1436 E C -0.627 175.987 176.600 0.024 0.000 1.015 1436 E CA -0.420 56.001 56.400 0.035 0.000 0.823 1436 E CB 1.553 31.287 29.700 0.057 0.000 1.081 1436 E HN 0.350 nan 8.360 nan 0.000 0.396 1437 c N 3.537 122.138 118.600 0.002 0.000 3.086 1437 c HA 0.643 5.213 4.570 -0.000 0.000 0.311 1437 c C -1.571 172.505 174.090 -0.023 0.000 1.260 1437 c CA -0.623 55.694 56.329 -0.020 0.000 1.426 1437 c CB 1.412 43.893 42.510 -0.048 0.000 1.826 1437 c HN 0.665 nan 8.230 nan 0.000 0.474 1438 L N 1.550 122.765 121.223 -0.014 0.000 2.801 1438 L HA 0.787 5.127 4.340 -0.000 0.000 0.264 1438 L C -1.087 175.850 176.870 0.112 0.000 1.086 1438 L CA -0.517 54.351 54.840 0.047 0.000 0.920 1438 L CB 0.985 43.114 42.059 0.117 0.000 1.529 1438 L HN 1.065 nan 8.230 nan 0.000 0.399 1439 H N -0.941 118.131 119.070 0.003 0.000 3.064 1439 H HA 0.832 5.388 4.556 -0.000 0.000 0.352 1439 H C -1.730 173.643 175.328 0.075 0.000 1.260 1439 H CA -0.815 55.197 56.048 -0.061 0.000 1.160 1439 H CB 2.309 32.038 29.762 -0.055 0.000 1.879 1439 H HN 0.850 nan 8.280 nan 0.000 0.544 1440 F N -1.108 118.774 119.950 -0.113 0.000 2.719 1440 F HA 0.509 5.036 4.527 -0.000 0.000 0.309 1440 F C -1.761 173.961 175.800 -0.130 0.000 1.138 1440 F CA -1.409 56.472 58.000 -0.199 0.000 0.943 1440 F CB 1.384 40.300 39.000 -0.139 0.000 1.304 1440 F HN 0.518 nan 8.300 nan 0.000 0.445 1441 K N 3.044 123.548 120.400 0.172 0.000 2.237 1441 K HA 0.630 4.950 4.320 -0.000 0.000 0.270 1441 K C -0.587 176.150 176.600 0.229 0.000 1.015 1441 K CA -0.538 55.815 56.287 0.110 0.000 0.949 1441 K CB 1.765 34.309 32.500 0.074 0.000 0.976 1441 K HN 0.816 nan 8.250 nan 0.000 0.472 1442 I N 0.693 121.350 120.570 0.145 0.000 2.730 1442 I HA 0.449 4.619 4.170 -0.000 0.000 0.298 1442 I C -1.810 174.486 176.117 0.298 0.000 1.089 1442 I CA -1.224 60.208 61.300 0.219 0.000 1.041 1442 I CB 1.323 39.396 38.000 0.122 0.000 1.235 1442 I HN 0.320 nan 8.210 nan 0.000 0.423 1443 L N 5.220 126.692 121.223 0.415 0.000 2.350 1443 L HA 0.627 4.967 4.340 -0.000 0.000 0.260 1443 L C -0.283 176.774 176.870 0.311 0.000 1.015 1443 L CA -0.572 54.472 54.840 0.340 0.000 0.821 1443 L CB 1.506 43.675 42.059 0.183 0.000 1.370 1443 L HN 0.662 nan 8.230 nan 0.000 0.416 1444 K N -0.328 120.070 120.400 -0.005 0.000 2.210 1444 K HA 0.496 4.816 4.320 -0.000 0.000 0.236 1444 K C 0.218 176.755 176.600 -0.104 0.000 1.016 1444 K CA -0.313 55.703 56.287 -0.452 0.000 0.913 1444 K CB 1.025 33.180 32.500 -0.574 0.000 1.141 1444 K HN 0.897 nan 8.250 nan 0.000 0.462 1445 H N -0.574 118.377 119.070 -0.198 0.000 1.955 1445 H HA 0.169 4.725 4.556 -0.000 0.000 0.196 1445 H C -0.709 174.671 175.328 0.086 0.000 0.891 1445 H CA -0.098 55.939 56.048 -0.019 0.000 1.001 1445 H CB 0.526 30.311 29.762 0.039 0.000 1.195 1445 H HN 0.366 nan 8.280 nan 0.000 0.384 1446 F N 2.360 121.591 119.950 -1.199 0.000 2.529 1446 F HA 0.310 4.837 4.527 -0.000 0.000 0.320 1446 F C 0.607 176.115 175.800 -0.486 0.000 1.118 1446 F CA -1.063 56.549 58.000 -0.645 0.000 0.915 1446 F CB 2.316 41.033 39.000 -0.471 0.000 1.161 1446 F HN 0.090 nan 8.300 nan 0.000 0.445 1447 E N 3.567 123.273 120.200 -0.824 0.000 2.381 1447 E HA 0.095 4.445 4.350 -0.000 0.000 0.198 1447 E C -0.421 175.930 176.600 -0.415 0.000 1.204 1447 E CA 0.064 56.135 56.400 -0.547 0.000 0.998 1447 E CB -0.727 28.678 29.700 -0.491 0.000 1.080 1447 E HN 0.346 nan 8.360 nan 0.000 0.481 1448 V N -0.760 118.991 119.914 -0.271 0.000 2.872 1448 V HA 0.309 4.429 4.120 -0.000 0.000 0.307 1448 V C 1.548 177.604 176.094 -0.065 0.000 1.072 1448 V CA -0.186 62.090 62.300 -0.039 0.000 1.148 1448 V CB 0.047 31.961 31.823 0.151 0.000 0.954 1448 V HN 0.444 nan 8.190 nan 0.000 0.490 1449 G N 2.568 111.346 108.800 -0.036 0.000 2.531 1449 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.477 1449 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.477 1449 G C -0.229 174.728 174.900 0.095 0.000 1.342 1449 G CA 0.510 45.603 45.100 -0.011 0.000 0.911 1449 G HN 1.188 nan 8.290 nan 0.000 0.532 1450 F N 0.691 120.617 119.950 -0.040 0.000 2.586 1450 F HA 0.353 4.880 4.527 -0.000 0.000 0.344 1450 F C 1.161 176.979 175.800 0.029 0.000 1.188 1450 F CA -1.208 56.805 58.000 0.022 0.000 1.359 1450 F CB 0.053 39.096 39.000 0.072 0.000 1.129 1450 F HN 0.475 nan 8.300 nan 0.000 0.609 1451 I N 3.861 124.726 120.570 0.492 0.000 2.371 1451 I HA 0.252 4.422 4.170 -0.000 0.000 0.282 1451 I C -0.194 175.482 176.117 -0.735 0.000 1.031 1451 I CA -0.693 60.595 61.300 -0.020 0.000 1.180 1451 I CB 0.466 38.636 38.000 0.282 0.000 1.336 1451 I HN 0.575 nan 8.210 nan 0.000 0.467 1452 Q N 7.187 126.560 119.800 -0.712 0.000 2.330 1452 Q HA 0.238 4.578 4.340 -0.000 0.000 0.279 1452 Q C -2.260 173.292 176.000 -0.747 0.000 1.024 1452 Q CA -0.970 54.337 55.803 -0.826 0.000 0.900 1452 Q CB 0.901 29.321 28.738 -0.530 0.000 1.221 1452 Q HN 0.403 nan 8.270 nan 0.000 0.396 1453 P HA 0.150 nan 4.420 nan 0.000 0.273 1453 P C -0.745 176.184 177.300 -0.618 0.000 1.250 1453 P CA -0.262 62.392 63.100 -0.743 0.000 0.793 1453 P CB 0.635 31.960 31.700 -0.625 0.000 1.011 1454 G N -0.622 107.696 108.800 -0.805 0.000 2.537 1454 G HA2 0.570 4.530 3.960 -0.000 0.000 0.323 1454 G HA3 0.570 4.530 3.960 -0.000 0.000 0.323 1454 G C -0.963 173.948 174.900 0.018 0.000 1.207 1454 G CA -0.529 44.219 45.100 -0.586 0.000 0.976 1454 G HN 0.548 nan 8.290 nan 0.000 0.487 1455 S N -1.583 114.282 115.700 0.275 0.000 2.537 1455 S HA 0.759 5.229 4.470 -0.000 0.000 0.301 1455 S C -1.111 173.615 174.600 0.211 0.000 1.092 1455 S CA -0.793 57.581 58.200 0.290 0.000 1.048 1455 S CB 2.137 65.463 63.200 0.210 0.000 1.053 1455 S HN 0.812 nan 8.310 nan 0.000 0.501 1456 V N 2.403 122.344 119.914 0.045 0.000 2.612 1456 V HA 0.535 4.655 4.120 -0.000 0.000 0.301 1456 V C -1.313 174.701 176.094 -0.133 0.000 1.059 1456 V CA -0.580 61.694 62.300 -0.044 0.000 0.886 1456 V CB 2.004 33.786 31.823 -0.070 0.000 1.007 1456 V HN 1.028 nan 8.190 nan 0.000 0.426 1457 K N 4.447 124.744 120.400 -0.172 0.000 2.397 1457 K HA 0.776 5.096 4.320 -0.000 0.000 0.253 1457 K C -1.356 175.026 176.600 -0.363 0.000 0.932 1457 K CA -0.696 55.462 56.287 -0.214 0.000 0.795 1457 K CB 2.822 35.234 32.500 -0.147 0.000 1.159 1457 K HN 0.361 nan 8.250 nan 0.000 0.424 1458 V N 4.097 123.803 119.914 -0.346 0.000 2.417 1458 V HA 0.485 4.605 4.120 -0.000 0.000 0.291 1458 V C -1.388 174.406 176.094 -0.501 0.000 1.024 1458 V CA -0.643 61.350 62.300 -0.512 0.000 0.861 1458 V CB 0.567 32.059 31.823 -0.552 0.000 0.985 1458 V HN 0.721 nan 8.190 nan 0.000 0.436 1459 Y N 1.922 122.027 120.300 -0.325 0.000 2.479 1459 Y HA 0.734 5.284 4.550 -0.000 0.000 0.338 1459 Y C -0.291 175.602 175.900 -0.011 0.000 1.055 1459 Y CA -1.526 56.457 58.100 -0.195 0.000 1.023 1459 Y CB 1.289 39.722 38.460 -0.044 0.000 1.287 1459 Y HN 0.453 nan 8.280 nan 0.000 0.447 1460 S N 2.188 118.119 115.700 0.385 0.000 2.586 1460 S HA 0.172 4.642 4.470 -0.000 0.000 0.274 1460 S C 0.748 175.589 174.600 0.402 0.000 1.281 1460 S CA -0.317 58.154 58.200 0.452 0.000 1.035 1460 S CB 0.403 63.972 63.200 0.615 0.000 0.962 1460 S HN 0.794 nan 8.310 nan 0.000 0.512 1461 Y N 4.749 125.213 120.300 0.272 0.000 2.081 1461 Y HA -0.210 4.340 4.550 -0.000 0.000 0.280 1461 Y C 1.405 177.370 175.900 0.109 0.000 1.163 1461 Y CA 2.041 60.261 58.100 0.199 0.000 1.135 1461 Y CB -0.955 37.503 38.460 -0.005 0.000 0.970 1461 Y HN 0.873 nan 8.280 nan 0.000 0.498 1462 Y N 0.663 120.764 120.300 -0.331 0.000 2.569 1462 Y HA -0.099 4.451 4.550 -0.000 0.000 0.293 1462 Y C 0.094 175.886 175.900 -0.179 0.000 1.144 1462 Y CA 1.429 59.297 58.100 -0.387 0.000 1.321 1462 Y CB -0.383 38.008 38.460 -0.115 0.000 0.982 1462 Y HN 0.268 nan 8.280 nan 0.000 0.558 1463 N N -0.213 118.541 118.700 0.090 0.000 2.790 1463 N HA 0.261 5.001 4.740 -0.000 0.000 0.256 1463 N C -0.687 174.872 175.510 0.081 0.000 1.409 1463 N CA -0.045 53.075 53.050 0.117 0.000 0.799 1463 N CB 0.475 39.110 38.487 0.247 0.000 1.170 1463 N HN 0.081 nan 8.380 nan 0.000 0.507 1464 L N 0.267 121.463 121.223 -0.045 0.000 2.728 1464 L HA 0.250 4.590 4.340 -0.000 0.000 0.235 1464 L C 0.219 176.998 176.870 -0.151 0.000 1.197 1464 L CA 0.329 55.074 54.840 -0.159 0.000 0.992 1464 L CB 0.279 42.221 42.059 -0.195 0.000 1.263 1464 L HN 0.338 nan 8.230 nan 0.000 0.484 1465 D N -0.853 119.512 120.400 -0.059 0.000 2.440 1465 D HA 0.009 4.649 4.640 -0.000 0.000 0.216 1465 D C 0.488 176.794 176.300 0.009 0.000 1.150 1465 D CA 0.009 53.986 54.000 -0.038 0.000 0.832 1465 D CB 0.375 41.159 40.800 -0.027 0.000 0.992 1465 D HN 0.089 nan 8.370 nan 0.000 0.502 1466 E N 1.946 122.174 120.200 0.047 0.000 2.341 1466 E HA -0.050 4.300 4.350 -0.000 0.000 0.256 1466 E C 0.436 177.097 176.600 0.101 0.000 1.125 1466 E CA 0.282 56.754 56.400 0.120 0.000 0.939 1466 E CB 0.331 30.165 29.700 0.224 0.000 0.991 1466 E HN -0.210 nan 8.360 nan 0.000 0.458 1467 K N 3.934 124.376 120.400 0.071 0.000 2.577 1467 K HA 0.091 4.411 4.320 -0.000 0.000 0.210 1467 K C -0.359 176.263 176.600 0.037 0.000 1.048 1467 K CA -0.205 56.111 56.287 0.049 0.000 1.188 1467 K CB -0.319 32.195 32.500 0.024 0.000 0.910 1467 K HN 0.390 nan 8.250 nan 0.000 0.483 1468 c N 2.365 121.000 118.600 0.058 0.000 2.305 1468 c HA 0.215 4.785 4.570 -0.000 0.000 0.378 1468 c C 0.509 174.571 174.090 -0.047 0.000 1.047 1468 c CA 0.119 56.461 56.329 0.021 0.000 1.385 1468 c CB -1.517 41.035 42.510 0.070 0.000 1.825 1468 c HN 0.333 nan 8.230 nan 0.000 0.508 1469 T N 4.623 119.121 114.554 -0.093 0.000 2.887 1469 T HA 0.585 4.935 4.350 -0.000 0.000 0.288 1469 T C -0.786 173.741 174.700 -0.288 0.000 1.021 1469 T CA -0.384 61.602 62.100 -0.191 0.000 1.000 1469 T CB 0.733 69.486 68.868 -0.191 0.000 1.034 1469 T HN 0.748 nan 8.240 nan 0.000 0.467 1470 K N 1.928 122.103 120.400 -0.375 0.000 2.522 1470 K HA 0.573 4.893 4.320 -0.000 0.000 0.275 1470 K C -1.597 174.734 176.600 -0.448 0.000 1.006 1470 K CA -0.725 55.336 56.287 -0.378 0.000 0.890 1470 K CB 1.713 34.130 32.500 -0.140 0.000 1.475 1470 K HN 0.408 nan 8.250 nan 0.000 0.441 1471 F N 0.483 120.465 119.950 0.053 0.000 2.594 1471 F HA 0.540 5.066 4.527 -0.000 0.000 0.335 1471 F C -0.307 175.581 175.800 0.147 0.000 1.058 1471 F CA -0.638 57.398 58.000 0.060 0.000 0.981 1471 F CB 1.214 40.201 39.000 -0.021 0.000 1.289 1471 F HN 0.463 nan 8.300 nan 0.000 0.490 1472 Y N -1.100 119.330 120.300 0.216 0.000 2.609 1472 Y HA 0.720 5.270 4.550 -0.000 0.000 0.336 1472 Y C -1.520 174.453 175.900 0.120 0.000 1.129 1472 Y CA -1.100 57.063 58.100 0.105 0.000 1.040 1472 Y CB 1.798 40.275 38.460 0.027 0.000 1.310 1472 Y HN 0.775 nan 8.280 nan 0.000 0.460 1473 H N 3.127 122.226 119.070 0.049 0.000 3.141 1473 H HA 0.140 4.696 4.556 -0.000 0.000 0.309 1473 H C -2.591 172.758 175.328 0.035 0.000 1.083 1473 H CA -1.579 54.446 56.048 -0.038 0.000 1.466 1473 H CB 2.896 32.614 29.762 -0.073 0.000 2.095 1473 H HN 0.525 nan 8.280 nan 0.000 0.467 1474 P HA -0.216 nan 4.420 nan 0.000 0.216 1474 P C 0.482 177.706 177.300 -0.127 0.000 1.167 1474 P CA 1.876 64.918 63.100 -0.098 0.000 0.914 1474 P CB 0.301 31.929 31.700 -0.119 0.000 0.793 1475 D N -1.833 118.414 120.400 -0.254 0.000 2.350 1475 D HA 0.019 4.659 4.640 -0.000 0.000 0.213 1475 D C 0.527 176.769 176.300 -0.096 0.000 1.031 1475 D CA 0.574 54.476 54.000 -0.163 0.000 0.861 1475 D CB -0.302 40.389 40.800 -0.182 0.000 0.926 1475 D HN 0.126 nan 8.370 nan 0.000 0.520 1476 K N 0.888 121.247 120.400 -0.069 0.000 2.265 1476 K HA 0.428 4.748 4.320 -0.000 0.000 0.267 1476 K C 1.200 177.834 176.600 0.057 0.000 0.994 1476 K CA -0.463 55.850 56.287 0.043 0.000 0.860 1476 K CB 1.866 34.459 32.500 0.154 0.000 1.099 1476 K HN 0.050 nan 8.250 nan 0.000 0.448 1477 G N 1.485 110.312 108.800 0.044 0.000 2.433 1477 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 1477 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 1477 G C 1.089 176.027 174.900 0.064 0.000 1.186 1477 G CA 1.408 46.533 45.100 0.042 0.000 0.779 1477 G HN 0.618 nan 8.290 nan 0.000 0.543 1478 T N -2.976 111.622 114.554 0.074 0.000 3.069 1478 T HA 0.423 4.773 4.350 -0.000 0.000 0.252 1478 T C 1.950 176.732 174.700 0.137 0.000 1.053 1478 T CA 0.797 62.951 62.100 0.090 0.000 0.964 1478 T CB 0.445 69.358 68.868 0.074 0.000 1.005 1478 T HN 1.338 nan 8.240 nan 0.000 0.532 1479 G N 1.404 110.286 108.800 0.137 0.000 2.377 1479 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.250 1479 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.250 1479 G C 0.091 175.025 174.900 0.058 0.000 1.039 1479 G CA 0.172 45.357 45.100 0.142 0.000 0.625 1479 G HN 0.765 nan 8.290 nan 0.000 0.526 1480 L N 3.326 124.608 121.223 0.098 0.000 2.628 1480 L HA 0.472 4.812 4.340 -0.000 0.000 0.274 1480 L C 0.981 177.847 176.870 -0.006 0.000 1.209 1480 L CA -0.778 54.086 54.840 0.040 0.000 0.930 1480 L CB -0.330 41.779 42.059 0.083 0.000 1.183 1480 L HN 0.689 nan 8.230 nan 0.000 0.492 1481 L N 3.511 124.686 121.223 -0.081 0.000 2.476 1481 L HA 0.401 4.741 4.340 -0.000 0.000 0.264 1481 L C 0.388 177.273 176.870 0.026 0.000 1.224 1481 L CA -0.281 54.551 54.840 -0.013 0.000 0.821 1481 L CB -0.819 41.211 42.059 -0.048 0.000 1.101 1481 L HN 0.611 nan 8.230 nan 0.000 0.488 1482 N N 1.031 119.767 118.700 0.060 0.000 2.508 1482 N HA 0.469 5.209 4.740 -0.000 0.000 0.264 1482 N C -0.580 174.953 175.510 0.038 0.000 1.216 1482 N CA -0.094 52.984 53.050 0.048 0.000 0.943 1482 N CB 0.508 39.023 38.487 0.046 0.000 1.113 1482 N HN 0.810 nan 8.380 nan 0.000 0.447 1483 K N 0.102 120.522 120.400 0.033 0.000 2.642 1483 K HA 0.468 4.788 4.320 -0.000 0.000 0.290 1483 K C -1.536 175.081 176.600 0.029 0.000 1.006 1483 K CA -0.710 55.595 56.287 0.030 0.000 0.869 1483 K CB 0.847 33.363 32.500 0.026 0.000 1.499 1483 K HN 0.276 nan 8.250 nan 0.000 0.403 1484 I N 0.958 121.545 120.570 0.028 0.000 2.530 1484 I HA 0.456 4.626 4.170 -0.000 0.000 0.297 1484 I C -0.847 175.283 176.117 0.022 0.000 1.011 1484 I CA -1.002 60.315 61.300 0.028 0.000 1.107 1484 I CB 2.012 40.031 38.000 0.031 0.000 1.285 1484 I HN 0.608 nan 8.210 nan 0.000 0.436 1485 c N 6.348 124.962 118.600 0.022 0.000 2.482 1485 c HA 0.682 5.252 4.570 -0.000 0.000 0.317 1485 c C -0.403 173.697 174.090 0.016 0.000 1.197 1485 c CA -0.660 55.680 56.329 0.017 0.000 1.432 1485 c CB 1.124 43.645 42.510 0.018 0.000 2.062 1485 c HN 0.656 nan 8.230 nan 0.000 0.471 1486 I N 1.202 121.778 120.570 0.011 0.000 2.534 1486 I HA 0.778 4.948 4.170 -0.000 0.000 0.288 1486 I C 0.458 176.579 176.117 0.007 0.000 1.077 1486 I CA 0.264 61.570 61.300 0.010 0.000 1.051 1486 I CB 1.466 39.472 38.000 0.010 0.000 1.234 1486 I HN 0.964 nan 8.210 nan 0.000 0.425 1487 G N 5.708 114.513 108.800 0.008 0.000 2.622 1487 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.307 1487 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.307 1487 G C 0.538 175.443 174.900 0.008 0.000 1.226 1487 G CA 1.078 46.183 45.100 0.008 0.000 0.997 1487 G HN 0.850 nan 8.290 nan 0.000 0.551 1488 N N -0.031 118.673 118.700 0.007 0.000 2.424 1488 N HA 0.184 4.923 4.740 -0.000 0.000 0.178 1488 N C 0.975 176.489 175.510 0.006 0.000 1.060 1488 N CA 0.900 53.954 53.050 0.008 0.000 0.901 1488 N CB 0.061 38.552 38.487 0.008 0.000 0.979 1488 N HN 0.498 nan 8.380 nan 0.000 0.451 1489 V N 0.320 120.236 119.914 0.002 0.000 2.732 1489 V HA 0.270 4.390 4.120 -0.000 0.000 0.297 1489 V C 0.425 176.519 176.094 -0.000 0.000 1.060 1489 V CA -0.649 61.650 62.300 -0.003 0.000 1.038 1489 V CB 1.353 33.169 31.823 -0.011 0.000 1.003 1489 V HN 0.063 nan 8.190 nan 0.000 0.481 1490 c N 3.501 122.100 118.600 -0.003 0.000 3.080 1490 c HA 0.965 5.535 4.570 -0.000 0.000 0.307 1490 c C 0.028 174.115 174.090 -0.006 0.000 1.311 1490 c CA -0.436 55.894 56.329 0.001 0.000 1.533 1490 c CB 2.288 44.803 42.510 0.009 0.000 1.970 1490 c HN 1.060 nan 8.230 nan 0.000 0.467 1491 R N 0.024 120.525 120.500 0.002 0.000 2.826 1491 R HA 0.530 4.870 4.340 -0.000 0.000 0.269 1491 R C -0.687 175.624 176.300 0.018 0.000 1.031 1491 R CA -0.270 55.830 56.100 0.000 0.000 0.900 1491 R CB 0.019 30.311 30.300 -0.013 0.000 1.318 1491 R HN 0.913 nan 8.270 nan 0.000 0.447 1492 c N -0.512 118.104 118.600 0.027 0.000 2.832 1492 c HA 0.634 5.204 4.570 -0.000 0.000 0.299 1492 c C 1.347 175.463 174.090 0.044 0.000 1.440 1492 c CA 0.980 57.337 56.329 0.046 0.000 2.191 1492 c CB 0.483 43.038 42.510 0.075 0.000 2.243 1492 c HN 0.764 nan 8.230 nan 0.000 0.720 1493 A N -1.206 121.643 122.820 0.049 0.000 2.414 1493 A HA 0.483 4.803 4.320 -0.000 0.000 0.165 1493 A C 1.345 178.943 177.584 0.022 0.000 1.718 1493 A CA 1.268 53.326 52.037 0.035 0.000 1.268 1493 A CB -0.729 18.291 19.000 0.033 0.000 1.547 1493 A HN 2.248 nan 8.150 nan 0.000 0.462 1494 G N -0.756 108.064 108.800 0.033 0.000 2.347 1494 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.247 1494 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.247 1494 G C 0.626 175.491 174.900 -0.058 0.000 1.037 1494 G CA 1.199 46.299 45.100 0.000 0.000 0.622 1494 G HN 0.909 nan 8.290 nan 0.000 0.521 1495 E N -1.268 118.913 120.200 -0.032 0.000 4.924 1495 E HA -0.261 4.089 4.350 -0.000 0.000 0.229 1495 E C 0.825 177.352 176.600 -0.122 0.000 0.912 1495 E CA 2.301 58.669 56.400 -0.054 0.000 1.857 1495 E CB -1.673 28.007 29.700 -0.034 0.000 1.787 1495 E HN 1.199 nan 8.360 nan 0.000 0.427 1496 T N 1.068 115.516 114.554 -0.176 0.000 2.767 1496 T HA 0.410 4.760 4.350 -0.000 0.000 0.284 1496 T C 0.630 175.267 174.700 -0.105 0.000 0.973 1496 T CA -0.208 61.797 62.100 -0.158 0.000 0.996 1496 T CB 0.703 69.447 68.868 -0.208 0.000 0.927 1496 T HN 0.321 nan 8.240 nan 0.000 0.456 1497 c N 3.558 122.106 118.600 -0.085 0.000 2.877 1497 c HA 0.501 5.071 4.570 -0.000 0.000 0.302 1497 c C 0.837 174.873 174.090 -0.089 0.000 1.416 1497 c CA -0.082 56.203 56.329 -0.074 0.000 2.113 1497 c CB -0.164 42.308 42.510 -0.064 0.000 2.271 1497 c HN 1.037 nan 8.230 nan 0.000 0.729 1498 S N 0.656 116.296 115.700 -0.099 0.000 2.673 1498 S HA 0.426 4.896 4.470 -0.000 0.000 0.256 1498 S C -0.647 173.858 174.600 -0.158 0.000 1.141 1498 S CA -0.452 57.671 58.200 -0.127 0.000 1.109 1498 S CB 0.872 63.997 63.200 -0.126 0.000 1.101 1498 S HN 1.043 nan 8.310 nan 0.000 0.471 1499 S N 3.344 118.947 115.700 -0.161 0.000 2.585 1499 S HA 0.415 4.885 4.470 -0.000 0.000 0.273 1499 S C 0.259 174.717 174.600 -0.237 0.000 1.339 1499 S CA -0.795 57.303 58.200 -0.169 0.000 1.028 1499 S CB 0.425 63.542 63.200 -0.137 0.000 0.906 1499 S HN 1.053 nan 8.310 nan 0.000 0.528 1500 L N 3.368 124.458 121.223 -0.221 0.000 2.536 1500 L HA 0.205 4.545 4.340 -0.000 0.000 0.282 1500 L C -0.013 176.690 176.870 -0.280 0.000 1.147 1500 L CA -0.232 54.449 54.840 -0.265 0.000 0.936 1500 L CB -1.640 40.295 42.059 -0.207 0.000 1.279 1500 L HN 0.707 nan 8.230 nan 0.000 0.461 1501 N N 4.084 122.500 118.700 -0.473 0.000 2.291 1501 N HA -0.142 4.598 4.740 -0.000 0.000 0.281 1501 N C -0.249 175.126 175.510 -0.224 0.000 1.388 1501 N CA 0.427 53.149 53.050 -0.546 0.000 0.920 1501 N CB 0.019 37.727 38.487 -1.298 0.000 1.276 1501 N HN 0.612 nan 8.380 nan 0.000 0.493 1502 H N 2.306 121.254 119.070 -0.204 0.000 2.508 1502 H HA 0.378 4.934 4.556 -0.000 0.000 0.344 1502 H C -0.382 174.908 175.328 -0.063 0.000 1.192 1502 H CA -0.241 55.753 56.048 -0.090 0.000 1.290 1502 H CB 1.175 30.904 29.762 -0.056 0.000 1.571 1502 H HN 0.532 nan 8.280 nan 0.000 0.555 1503 Q N 1.998 121.751 119.800 -0.079 0.000 3.100 1503 Q HA 0.008 4.348 4.340 -0.000 0.000 0.191 1503 Q C -0.633 175.297 176.000 -0.117 0.000 0.971 1503 Q CA -0.417 55.319 55.803 -0.111 0.000 1.209 1503 Q CB 0.408 29.175 28.738 0.048 0.000 1.803 1503 Q HN 0.747 nan 8.270 nan 0.000 0.586 1504 E N 2.265 122.361 120.200 -0.173 0.000 2.299 1504 E HA 0.107 4.457 4.350 -0.000 0.000 0.193 1504 E C 0.131 176.699 176.600 -0.053 0.000 0.998 1504 E CA 0.533 56.876 56.400 -0.096 0.000 0.851 1504 E CB 0.317 29.951 29.700 -0.110 0.000 0.795 1504 E HN 0.309 nan 8.360 nan 0.000 0.492 1505 R N 0.276 120.750 120.500 -0.045 0.000 2.548 1505 R HA 0.510 4.850 4.340 -0.000 0.000 0.280 1505 R C -1.761 174.536 176.300 -0.005 0.000 1.061 1505 R CA -0.496 55.585 56.100 -0.032 0.000 0.915 1505 R CB 1.112 31.395 30.300 -0.028 0.000 1.210 1505 R HN 0.091 nan 8.270 nan 0.000 0.442 1506 I N 2.761 123.331 120.570 0.001 0.000 2.355 1506 I HA 0.258 4.428 4.170 -0.000 0.000 0.288 1506 I C -0.229 175.905 176.117 0.028 0.000 0.999 1506 I CA -0.784 60.533 61.300 0.029 0.000 1.163 1506 I CB 1.746 39.771 38.000 0.042 0.000 1.316 1506 I HN 0.489 nan 8.210 nan 0.000 0.454 1507 D N 6.598 127.018 120.400 0.032 0.000 2.385 1507 D HA 0.020 4.660 4.640 -0.000 0.000 0.260 1507 D C 1.167 177.490 176.300 0.038 0.000 1.326 1507 D CA 0.213 54.232 54.000 0.033 0.000 1.023 1507 D CB 1.046 41.866 40.800 0.033 0.000 1.083 1507 D HN 0.336 nan 8.370 nan 0.000 0.517 1508 V N 5.910 125.857 119.914 0.056 0.000 2.252 1508 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 1508 V C -0.611 175.549 176.094 0.110 0.000 1.056 1508 V CA 1.642 64.005 62.300 0.104 0.000 1.022 1508 V CB -1.372 30.528 31.823 0.130 0.000 0.641 1508 V HN 0.506 nan 8.190 nan 0.000 0.445 1509 P HA -0.144 nan 4.420 nan 0.000 0.215 1509 P C 1.942 179.258 177.300 0.025 0.000 1.157 1509 P CA 1.216 64.339 63.100 0.038 0.000 0.868 1509 P CB -0.082 31.629 31.700 0.020 0.000 0.788 1510 L N -0.144 121.093 121.223 0.023 0.000 1.994 1510 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 1510 L C 2.574 179.442 176.870 -0.005 0.000 1.071 1510 L CA 1.990 56.839 54.840 0.015 0.000 0.745 1510 L CB -1.510 40.566 42.059 0.029 0.000 0.892 1510 L HN -0.128 nan 8.230 nan 0.000 0.431 1511 Q N -0.317 119.476 119.800 -0.011 0.000 2.077 1511 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 1511 Q C 2.138 178.094 176.000 -0.073 0.000 0.989 1511 Q CA 2.953 58.691 55.803 -0.109 0.000 0.853 1511 Q CB -0.470 28.123 28.738 -0.241 0.000 0.907 1511 Q HN 0.729 nan 8.270 nan 0.000 0.418 1512 I N -1.125 119.538 120.570 0.155 0.000 2.423 1512 I HA -0.185 3.985 4.170 -0.000 0.000 0.254 1512 I C 1.601 177.656 176.117 -0.102 0.000 1.151 1512 I CA 1.656 62.996 61.300 0.067 0.000 1.421 1512 I CB -0.515 37.478 38.000 -0.012 0.000 1.079 1512 I HN 0.176 nan 8.210 nan 0.000 0.431 1513 E N 1.406 121.565 120.200 -0.069 0.000 2.077 1513 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 1513 E C 2.012 178.553 176.600 -0.098 0.000 0.989 1513 E CA 1.251 57.608 56.400 -0.071 0.000 0.800 1513 E CB -0.111 29.570 29.700 -0.032 0.000 0.746 1513 E HN 0.595 nan 8.360 nan 0.000 0.452 1514 K N 0.734 121.063 120.400 -0.119 0.000 1.965 1514 K HA -0.130 4.190 4.320 -0.000 0.000 0.220 1514 K C 2.295 178.702 176.600 -0.322 0.000 1.046 1514 K CA 1.140 57.360 56.287 -0.112 0.000 0.974 1514 K CB -0.375 32.107 32.500 -0.030 0.000 0.738 1514 K HN 0.033 nan 8.250 nan 0.000 0.444 1515 A N 0.942 123.237 122.820 -0.874 0.000 2.042 1515 A HA -0.216 4.104 4.320 -0.000 0.000 0.222 1515 A C 1.918 179.122 177.584 -0.634 0.000 1.167 1515 A CA 1.450 52.654 52.037 -1.389 0.000 0.649 1515 A CB -0.955 17.073 19.000 -1.621 0.000 0.809 1515 A HN 0.522 nan 8.150 nan 0.000 0.457 1516 c N 0.956 119.333 118.600 -0.372 0.000 2.289 1516 c HA 0.302 4.872 4.570 -0.000 0.000 0.391 1516 c C 0.598 174.609 174.090 -0.132 0.000 1.304 1516 c CA -0.484 55.713 56.329 -0.219 0.000 1.679 1516 c CB -2.308 40.101 42.510 -0.168 0.000 1.885 1516 c HN 0.491 nan 8.230 nan 0.000 0.587 1517 E N -0.200 119.929 120.200 -0.118 0.000 2.249 1517 E HA 0.174 4.524 4.350 -0.000 0.000 0.280 1517 E C 1.354 177.955 176.600 0.001 0.000 1.016 1517 E CA 0.127 56.509 56.400 -0.030 0.000 0.830 1517 E CB 1.122 30.839 29.700 0.028 0.000 1.081 1517 E HN 0.283 nan 8.360 nan 0.000 0.395 1518 T N 3.058 117.616 114.554 0.007 0.000 2.668 1518 T HA -0.271 4.079 4.350 -0.000 0.000 0.265 1518 T C 0.662 175.380 174.700 0.031 0.000 1.041 1518 T CA 2.169 64.278 62.100 0.015 0.000 1.160 1518 T CB -0.420 68.457 68.868 0.014 0.000 0.857 1518 T HN 0.631 nan 8.240 nan 0.000 0.455 1519 N N 0.884 119.610 118.700 0.042 0.000 3.228 1519 N HA 0.350 5.090 4.740 -0.000 0.000 0.289 1519 N C -1.269 174.302 175.510 0.101 0.000 1.419 1519 N CA -0.335 52.750 53.050 0.058 0.000 1.088 1519 N CB 1.263 39.767 38.487 0.029 0.000 1.357 1519 N HN 0.248 nan 8.380 nan 0.000 0.504 1520 V N 0.943 120.923 119.914 0.110 0.000 2.595 1520 V HA 0.015 4.134 4.120 -0.000 0.000 0.269 1520 V C 0.599 176.791 176.094 0.164 0.000 0.982 1520 V CA -0.567 61.829 62.300 0.161 0.000 0.873 1520 V CB 1.282 33.210 31.823 0.174 0.000 1.051 1520 V HN 0.362 nan 8.190 nan 0.000 0.466 1521 D N 3.037 123.592 120.400 0.260 0.000 2.182 1521 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 1521 D C 0.389 176.906 176.300 0.363 0.000 0.986 1521 D CA 2.027 56.198 54.000 0.285 0.000 0.847 1521 D CB 0.234 41.212 40.800 0.298 0.000 0.942 1521 D HN 0.751 nan 8.370 nan 0.000 0.467 1522 Y N -3.648 116.720 120.300 0.112 0.000 2.609 1522 Y HA 0.586 5.136 4.550 -0.000 0.000 0.336 1522 Y C -1.721 174.205 175.900 0.043 0.000 1.129 1522 Y CA -1.467 56.682 58.100 0.082 0.000 1.040 1522 Y CB 1.294 39.748 38.460 -0.010 0.000 1.310 1522 Y HN -0.329 nan 8.280 nan 0.000 0.460 1523 V N 3.859 123.782 119.914 0.014 0.000 2.509 1523 V HA 0.347 4.467 4.120 -0.000 0.000 0.289 1523 V C -1.403 174.903 176.094 0.352 0.000 1.026 1523 V CA -0.698 61.588 62.300 -0.022 0.000 0.872 1523 V CB 0.709 32.494 31.823 -0.063 0.000 1.017 1523 V HN 0.691 nan 8.190 nan 0.000 0.436 1524 Y N 2.159 122.551 120.300 0.155 0.000 2.567 1524 Y HA 0.661 5.211 4.550 -0.000 0.000 0.333 1524 Y C 0.266 176.257 175.900 0.151 0.000 1.106 1524 Y CA -2.173 56.024 58.100 0.162 0.000 1.157 1524 Y CB 1.577 40.157 38.460 0.201 0.000 1.277 1524 Y HN 0.503 nan 8.280 nan 0.000 0.490 1525 K N 0.220 120.758 120.400 0.231 0.000 2.118 1525 K HA 0.667 4.987 4.320 -0.000 0.000 0.254 1525 K C -1.008 175.595 176.600 0.004 0.000 0.961 1525 K CA -0.324 55.990 56.287 0.045 0.000 0.876 1525 K CB 1.580 33.861 32.500 -0.365 0.000 1.077 1525 K HN 0.793 nan 8.250 nan 0.000 0.440 1526 T N 1.553 116.092 114.554 -0.026 0.000 3.225 1526 T HA 0.178 4.528 4.350 -0.000 0.000 0.356 1526 T C -1.891 172.821 174.700 0.019 0.000 1.460 1526 T CA -0.833 61.277 62.100 0.016 0.000 1.126 1526 T CB 0.985 69.926 68.868 0.122 0.000 1.321 1526 T HN 0.637 nan 8.240 nan 0.000 0.478 1527 K N 3.531 123.930 120.400 -0.001 0.000 2.276 1527 K HA 0.492 4.812 4.320 -0.000 0.000 0.285 1527 K C -0.349 176.312 176.600 0.101 0.000 1.062 1527 K CA -0.824 55.473 56.287 0.017 0.000 0.918 1527 K CB 0.634 33.134 32.500 -0.001 0.000 1.055 1527 K HN 0.524 nan 8.250 nan 0.000 0.477 1528 L N 6.577 127.902 121.223 0.170 0.000 2.312 1528 L HA 0.129 4.469 4.340 -0.000 0.000 0.287 1528 L C -0.220 176.741 176.870 0.151 0.000 1.091 1528 L CA -0.007 54.962 54.840 0.216 0.000 0.846 1528 L CB 0.095 42.363 42.059 0.348 0.000 1.219 1528 L HN 0.687 nan 8.230 nan 0.000 0.439 1529 L N 4.064 125.359 121.223 0.120 0.000 2.077 1529 L HA 0.228 4.568 4.340 -0.000 0.000 0.225 1529 L C 1.185 178.098 176.870 0.070 0.000 1.117 1529 L CA 0.784 55.675 54.840 0.084 0.000 2.064 1529 L CB -0.615 41.486 42.059 0.070 0.000 1.738 1529 L HN 0.538 nan 8.230 nan 0.000 0.927 1530 R N -0.107 120.424 120.500 0.052 0.000 2.528 1530 R HA 0.559 4.899 4.340 -0.000 0.000 0.271 1530 R C -0.870 175.422 176.300 -0.013 0.000 1.056 1530 R CA -0.327 55.785 56.100 0.019 0.000 1.117 1530 R CB 0.593 30.901 30.300 0.013 0.000 1.085 1530 R HN 0.247 nan 8.270 nan 0.000 0.530 1531 I N 1.640 122.166 120.570 -0.074 0.000 2.447 1531 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 1531 I C -0.381 175.638 176.117 -0.163 0.000 1.023 1531 I CA -0.458 60.721 61.300 -0.201 0.000 1.083 1531 I CB 1.922 39.728 38.000 -0.323 0.000 1.245 1531 I HN 0.603 nan 8.210 nan 0.000 0.434 1532 E N 3.777 123.883 120.200 -0.156 0.000 2.410 1532 E HA 0.527 4.877 4.350 -0.000 0.000 0.269 1532 E C -1.332 175.222 176.600 -0.077 0.000 0.937 1532 E CA -0.935 55.413 56.400 -0.087 0.000 0.793 1532 E CB 2.467 32.143 29.700 -0.040 0.000 1.314 1532 E HN 0.356 nan 8.360 nan 0.000 0.447 1533 E N 1.110 121.284 120.200 -0.043 0.000 2.183 1533 E HA 0.285 4.635 4.350 -0.000 0.000 0.271 1533 E C -1.520 175.076 176.600 -0.008 0.000 0.919 1533 E CA -0.418 55.966 56.400 -0.026 0.000 0.781 1533 E CB 1.216 30.902 29.700 -0.023 0.000 1.140 1533 E HN 0.340 nan 8.360 nan 0.000 0.402 1534 Q N 3.253 123.054 119.800 0.003 0.000 2.443 1534 Q HA 0.187 4.527 4.340 -0.000 0.000 0.241 1534 Q C -1.443 174.566 176.000 0.015 0.000 0.880 1534 Q CA -0.338 55.470 55.803 0.009 0.000 0.974 1534 Q CB 1.269 30.015 28.738 0.012 0.000 1.482 1534 Q HN 0.751 nan 8.270 nan 0.000 0.448 1535 D N 1.437 121.845 120.400 0.013 0.000 2.981 1535 D HA -0.217 4.423 4.640 -0.000 0.000 0.223 1535 D C 0.751 177.062 176.300 0.019 0.000 1.151 1535 D CA 1.540 55.549 54.000 0.016 0.000 0.827 1535 D CB -1.418 39.393 40.800 0.018 0.000 1.101 1535 D HN 1.109 nan 8.370 nan 0.000 0.426 1536 G N -0.705 108.106 108.800 0.018 0.000 2.179 1536 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 1536 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 1536 G C 0.057 174.975 174.900 0.030 0.000 0.977 1536 G CA 0.346 45.458 45.100 0.021 0.000 0.641 1536 G HN 0.459 nan 8.290 nan 0.000 0.533 1537 N N 1.781 120.502 118.700 0.034 0.000 2.438 1537 N HA 0.454 5.194 4.740 -0.000 0.000 0.282 1537 N C -1.054 174.488 175.510 0.053 0.000 1.037 1537 N CA -0.431 52.651 53.050 0.052 0.000 0.942 1537 N CB 1.236 39.755 38.487 0.053 0.000 1.136 1537 N HN 0.140 nan 8.380 nan 0.000 0.481 1538 D N 1.695 122.148 120.400 0.088 0.000 2.312 1538 D HA 0.241 4.881 4.640 -0.000 0.000 0.252 1538 D C 0.239 176.624 176.300 0.143 0.000 1.150 1538 D CA -0.087 53.949 54.000 0.059 0.000 0.870 1538 D CB 1.199 42.044 40.800 0.075 0.000 1.153 1538 D HN 0.355 nan 8.370 nan 0.000 0.457 1539 I N 2.716 123.311 120.570 0.042 0.000 2.304 1539 I HA 0.120 4.290 4.170 -0.000 0.000 0.291 1539 I C -0.257 175.897 176.117 0.062 0.000 1.018 1539 I CA -0.590 60.778 61.300 0.113 0.000 1.260 1539 I CB 0.337 38.373 38.000 0.059 0.000 1.390 1539 I HN 0.183 nan 8.210 nan 0.000 0.475 1540 Y N 5.650 126.002 120.300 0.086 0.000 2.594 1540 Y HA 0.387 4.937 4.550 -0.000 0.000 0.342 1540 Y C 0.177 176.157 175.900 0.133 0.000 1.010 1540 Y CA -1.019 57.134 58.100 0.089 0.000 1.270 1540 Y CB 0.730 39.231 38.460 0.068 0.000 1.125 1540 Y HN 0.269 nan 8.280 nan 0.000 0.513 1541 V N 5.535 125.561 119.914 0.187 0.000 2.572 1541 V HA 0.151 4.271 4.120 -0.000 0.000 0.291 1541 V C 0.287 176.500 176.094 0.197 0.000 1.039 1541 V CA -0.015 62.389 62.300 0.174 0.000 1.055 1541 V CB 0.544 32.429 31.823 0.104 0.000 0.969 1541 V HN 0.717 nan 8.190 nan 0.000 0.482 1542 M N 3.798 123.534 119.600 0.227 0.000 2.501 1542 M HA 0.467 4.947 4.480 -0.000 0.000 0.293 1542 M C -1.165 175.225 176.300 0.149 0.000 1.192 1542 M CA -0.493 54.937 55.300 0.216 0.000 0.886 1542 M CB 2.357 35.147 32.600 0.317 0.000 1.710 1542 M HN 0.623 nan 8.290 nan 0.000 0.457 1543 D N 1.649 122.102 120.400 0.088 0.000 2.362 1543 D HA 0.457 5.097 4.640 -0.000 0.000 0.247 1543 D C -1.207 175.076 176.300 -0.028 0.000 1.050 1543 D CA -0.386 53.621 54.000 0.013 0.000 0.839 1543 D CB 2.605 43.405 40.800 0.001 0.000 1.283 1543 D HN 0.285 nan 8.370 nan 0.000 0.477 1544 V N 4.937 124.776 119.914 -0.125 0.000 2.470 1544 V HA 0.011 4.131 4.120 -0.000 0.000 0.276 1544 V C 1.270 177.275 176.094 -0.148 0.000 1.040 1544 V CA -0.155 62.051 62.300 -0.158 0.000 1.008 1544 V CB 1.105 32.702 31.823 -0.376 0.000 0.990 1544 V HN 0.530 nan 8.190 nan 0.000 0.477 1545 L N 4.186 125.333 121.223 -0.127 0.000 2.115 1545 L HA 0.276 4.616 4.340 -0.000 0.000 0.200 1545 L C 1.039 177.821 176.870 -0.147 0.000 1.094 1545 L CA 1.412 56.166 54.840 -0.143 0.000 0.769 1545 L CB -0.197 41.747 42.059 -0.192 0.000 0.931 1545 L HN 0.657 nan 8.230 nan 0.000 0.455 1546 E N -1.395 118.719 120.200 -0.143 0.000 2.288 1546 E HA 0.458 4.808 4.350 -0.000 0.000 0.268 1546 E C -1.424 175.127 176.600 -0.082 0.000 0.885 1546 E CA -0.685 55.650 56.400 -0.107 0.000 0.767 1546 E CB 2.843 32.498 29.700 -0.075 0.000 1.220 1546 E HN -0.243 nan 8.360 nan 0.000 0.427 1547 V N 4.418 124.275 119.914 -0.095 0.000 2.364 1547 V HA 0.093 4.213 4.120 -0.000 0.000 0.272 1547 V C 0.820 176.926 176.094 0.019 0.000 1.036 1547 V CA -0.313 61.952 62.300 -0.059 0.000 0.880 1547 V CB 0.450 32.203 31.823 -0.116 0.000 0.991 1547 V HN 0.672 nan 8.190 nan 0.000 0.460 1548 I N 2.996 123.622 120.570 0.094 0.000 2.315 1548 I HA 0.111 4.281 4.170 -0.000 0.000 0.233 1548 I C 1.251 177.353 176.117 -0.025 0.000 1.067 1548 I CA 0.984 62.288 61.300 0.008 0.000 1.376 1548 I CB -0.405 37.591 38.000 -0.006 0.000 1.143 1548 I HN 0.515 nan 8.210 nan 0.000 0.421 1549 K N 1.974 122.387 120.400 0.022 0.000 2.253 1549 K HA 0.152 4.472 4.320 -0.000 0.000 0.277 1549 K C -0.078 176.613 176.600 0.152 0.000 1.053 1549 K CA -0.410 55.886 56.287 0.016 0.000 0.892 1549 K CB 0.745 33.215 32.500 -0.051 0.000 1.102 1549 K HN 0.061 nan 8.250 nan 0.000 0.469 1550 Q N 3.098 122.962 119.800 0.107 0.000 2.271 1550 Q HA 0.178 4.518 4.340 -0.000 0.000 0.273 1550 Q C -0.044 176.081 176.000 0.208 0.000 1.051 1550 Q CA 0.112 56.001 55.803 0.143 0.000 0.901 1550 Q CB 1.042 29.817 28.738 0.061 0.000 1.174 1550 Q HN 0.715 nan 8.270 nan 0.000 0.385 1551 G N 2.054 111.045 108.800 0.318 0.000 2.535 1551 G HA2 0.167 4.127 3.960 -0.000 0.000 0.282 1551 G HA3 0.167 4.127 3.960 -0.000 0.000 0.282 1551 G C 0.185 175.201 174.900 0.194 0.000 1.350 1551 G CA -0.093 45.204 45.100 0.327 0.000 1.039 1551 G HN 0.721 nan 8.290 nan 0.000 0.509 1552 T N 0.303 114.955 114.554 0.163 0.000 3.043 1552 T HA 0.030 4.380 4.350 -0.000 0.000 0.263 1552 T C 0.346 175.105 174.700 0.097 0.000 1.094 1552 T CA 0.432 62.593 62.100 0.102 0.000 1.127 1552 T CB -0.133 68.778 68.868 0.071 0.000 0.905 1552 T HN 0.359 nan 8.240 nan 0.000 0.490 1553 D N 2.746 123.229 120.400 0.138 0.000 2.383 1553 D HA 0.058 4.697 4.640 -0.000 0.000 0.275 1553 D C 0.920 177.277 176.300 0.095 0.000 1.344 1553 D CA 0.150 54.229 54.000 0.131 0.000 0.984 1553 D CB 0.713 41.646 40.800 0.221 0.000 1.104 1553 D HN 0.332 nan 8.370 nan 0.000 0.524 1554 E N 1.190 121.427 120.200 0.061 0.000 2.284 1554 E HA -0.166 4.184 4.350 -0.000 0.000 0.200 1554 E C 0.544 177.159 176.600 0.024 0.000 1.008 1554 E CA 0.922 57.344 56.400 0.038 0.000 0.829 1554 E CB 0.057 29.772 29.700 0.025 0.000 0.744 1554 E HN 0.268 nan 8.360 nan 0.000 0.491 1555 N N -1.571 117.147 118.700 0.030 0.000 3.049 1555 N HA 0.058 4.798 4.740 -0.000 0.000 0.241 1555 N C -2.596 172.917 175.510 0.004 0.000 1.323 1555 N CA -0.896 52.153 53.050 -0.002 0.000 0.824 1555 N CB 1.127 39.609 38.487 -0.007 0.000 1.557 1555 N HN -0.236 nan 8.380 nan 0.000 0.612 1556 P HA -0.031 nan 4.420 nan 0.000 0.212 1556 P C 1.090 178.278 177.300 -0.187 0.000 1.179 1556 P CA 1.178 64.211 63.100 -0.111 0.000 0.898 1556 P CB 0.165 31.577 31.700 -0.480 0.000 0.775 1557 R N 0.080 120.441 120.500 -0.232 0.000 2.332 1557 R HA -0.074 4.266 4.340 -0.000 0.000 0.239 1557 R C 1.741 177.986 176.300 -0.092 0.000 1.160 1557 R CA 1.176 57.172 56.100 -0.172 0.000 1.020 1557 R CB -1.406 28.804 30.300 -0.150 0.000 0.859 1557 R HN 0.122 nan 8.270 nan 0.000 0.478 1558 A N 2.439 125.223 122.820 -0.059 0.000 1.889 1558 A HA -0.020 4.300 4.320 -0.000 0.000 0.209 1558 A C 0.468 178.056 177.584 0.007 0.000 1.315 1558 A CA 0.724 52.750 52.037 -0.018 0.000 0.611 1558 A CB -0.076 18.923 19.000 -0.001 0.000 0.950 1558 A HN 0.074 nan 8.150 nan 0.000 0.477 1559 K N 2.398 122.824 120.400 0.044 0.000 2.292 1559 K HA 0.225 4.545 4.320 -0.000 0.000 0.290 1559 K C 0.175 176.858 176.600 0.139 0.000 1.083 1559 K CA 0.281 56.612 56.287 0.073 0.000 0.918 1559 K CB -0.155 32.388 32.500 0.072 0.000 1.089 1559 K HN 0.705 nan 8.250 nan 0.000 0.473 1560 T N 0.933 115.549 114.554 0.105 0.000 2.854 1560 T HA -0.035 4.315 4.350 -0.000 0.000 0.336 1560 T C 0.296 175.177 174.700 0.301 0.000 1.095 1560 T CA 0.200 62.378 62.100 0.131 0.000 1.118 1560 T CB 0.279 69.198 68.868 0.086 0.000 1.025 1560 T HN 0.422 nan 8.240 nan 0.000 0.549 1561 H N 0.397 119.505 119.070 0.063 0.000 2.567 1561 H HA 0.552 5.108 4.556 -0.000 0.000 0.345 1561 H C -0.089 175.260 175.328 0.035 0.000 1.169 1561 H CA -0.887 55.179 56.048 0.029 0.000 1.227 1561 H CB 1.332 31.125 29.762 0.051 0.000 1.607 1561 H HN 0.670 nan 8.280 nan 0.000 0.534 1562 Q N 1.584 121.396 119.800 0.020 0.000 2.325 1562 Q HA 0.285 4.625 4.340 -0.000 0.000 0.270 1562 Q C -1.216 174.719 176.000 -0.108 0.000 1.020 1562 Q CA -0.614 55.209 55.803 0.033 0.000 0.785 1562 Q CB 1.658 30.412 28.738 0.027 0.000 1.259 1562 Q HN 0.549 nan 8.270 nan 0.000 0.452 1563 Y N 3.210 123.594 120.300 0.142 0.000 2.478 1563 Y HA 0.373 4.923 4.550 -0.000 0.000 0.329 1563 Y C -0.156 175.835 175.900 0.152 0.000 0.967 1563 Y CA -0.405 57.764 58.100 0.116 0.000 1.255 1563 Y CB 0.674 39.165 38.460 0.052 0.000 1.103 1563 Y HN 0.443 nan 8.280 nan 0.000 0.497 1564 I N 2.213 122.912 120.570 0.214 0.000 2.440 1564 I HA 0.463 4.633 4.170 -0.000 0.000 0.294 1564 I C 0.305 176.517 176.117 0.159 0.000 0.995 1564 I CA -0.345 61.075 61.300 0.199 0.000 1.306 1564 I CB 1.625 39.696 38.000 0.119 0.000 1.407 1564 I HN 0.433 nan 8.210 nan 0.000 0.501 1565 S N 3.898 119.702 115.700 0.174 0.000 2.638 1565 S HA 0.382 4.852 4.470 -0.000 0.000 0.274 1565 S C -1.249 173.419 174.600 0.114 0.000 1.157 1565 S CA -0.838 57.422 58.200 0.100 0.000 0.826 1565 S CB 1.767 64.976 63.200 0.015 0.000 1.139 1565 S HN 0.608 nan 8.310 nan 0.000 0.474 1566 Q N 1.294 121.135 119.800 0.069 0.000 2.340 1566 Q HA 0.363 4.703 4.340 -0.000 0.000 0.249 1566 Q C 0.799 176.839 176.000 0.066 0.000 0.957 1566 Q CA -0.680 55.159 55.803 0.060 0.000 0.882 1566 Q CB 0.509 29.269 28.738 0.036 0.000 1.235 1566 Q HN 0.615 nan 8.270 nan 0.000 0.439 1567 R N 2.785 123.319 120.500 0.057 0.000 2.153 1567 R HA -0.258 4.082 4.340 -0.000 0.000 0.252 1567 R C 1.779 178.103 176.300 0.039 0.000 1.158 1567 R CA 2.200 58.330 56.100 0.049 0.000 0.975 1567 R CB -0.357 29.961 30.300 0.031 0.000 0.871 1567 R HN 0.815 nan 8.270 nan 0.000 0.450 1568 K N -0.827 119.590 120.400 0.027 0.000 2.218 1568 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 1568 K C 1.078 177.683 176.600 0.008 0.000 1.046 1568 K CA 1.696 57.991 56.287 0.013 0.000 0.933 1568 K CB -0.270 32.234 32.500 0.007 0.000 0.728 1568 K HN 0.345 nan 8.250 nan 0.000 0.454 1569 c N 0.766 119.375 118.600 0.015 0.000 2.697 1569 c HA 0.094 4.664 4.570 -0.000 0.000 0.267 1569 c C 2.059 176.156 174.090 0.012 0.000 1.278 1569 c CA -0.425 55.902 56.329 -0.004 0.000 1.708 1569 c CB -0.413 42.082 42.510 -0.025 0.000 1.860 1569 c HN 0.596 nan 8.230 nan 0.000 0.589 1570 Q N 2.575 122.405 119.800 0.050 0.000 1.880 1570 Q HA -0.282 4.058 4.340 -0.000 0.000 0.243 1570 Q C 2.197 178.223 176.000 0.042 0.000 1.047 1570 Q CA 2.815 58.663 55.803 0.075 0.000 0.893 1570 Q CB -0.336 28.433 28.738 0.052 0.000 0.999 1570 Q HN 0.672 nan 8.270 nan 0.000 0.419 1571 E N -0.608 119.603 120.200 0.017 0.000 2.478 1571 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 1571 E C 1.131 177.722 176.600 -0.015 0.000 1.046 1571 E CA 1.123 57.526 56.400 0.006 0.000 0.870 1571 E CB -0.080 29.621 29.700 0.003 0.000 0.818 1571 E HN 0.432 nan 8.360 nan 0.000 0.527 1572 A N 0.632 123.435 122.820 -0.029 0.000 2.220 1572 A HA 0.238 4.558 4.320 -0.000 0.000 0.211 1572 A C 2.198 179.731 177.584 -0.086 0.000 1.176 1572 A CA -0.115 51.889 52.037 -0.055 0.000 0.834 1572 A CB -0.083 18.881 19.000 -0.060 0.000 0.868 1572 A HN 0.233 nan 8.150 nan 0.000 0.488 1573 L N -1.362 119.810 121.223 -0.085 0.000 2.102 1573 L HA -0.016 4.324 4.340 -0.000 0.000 0.202 1573 L C 0.999 177.805 176.870 -0.106 0.000 1.076 1573 L CA 0.925 55.680 54.840 -0.142 0.000 0.761 1573 L CB -0.389 41.555 42.059 -0.192 0.000 0.921 1573 L HN 0.525 nan 8.230 nan 0.000 0.444 1574 N N 0.612 119.296 118.700 -0.026 0.000 2.727 1574 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 1574 N C -0.338 175.186 175.510 0.023 0.000 1.048 1574 N CA 0.244 53.300 53.050 0.010 0.000 0.714 1574 N CB -1.058 37.425 38.487 -0.007 0.000 0.959 1574 N HN 0.027 nan 8.380 nan 0.000 0.544 1575 L N -0.324 120.920 121.223 0.036 0.000 2.467 1575 L HA 0.209 4.549 4.340 -0.000 0.000 0.270 1575 L C 0.933 177.902 176.870 0.164 0.000 1.205 1575 L CA 0.799 55.657 54.840 0.030 0.000 0.828 1575 L CB 0.620 42.711 42.059 0.052 0.000 1.101 1575 L HN 0.364 nan 8.230 nan 0.000 0.479 1576 K N 0.713 121.273 120.400 0.267 0.000 2.468 1576 K HA 0.427 4.747 4.320 -0.000 0.000 0.252 1576 K C -1.100 175.624 176.600 0.207 0.000 0.932 1576 K CA -0.681 55.726 56.287 0.199 0.000 0.794 1576 K CB 2.078 34.671 32.500 0.155 0.000 1.241 1576 K HN 0.248 nan 8.250 nan 0.000 0.428 1577 V N 4.622 124.615 119.914 0.130 0.000 2.788 1577 V HA -0.081 4.039 4.120 -0.000 0.000 0.307 1577 V C 1.004 177.166 176.094 0.114 0.000 1.069 1577 V CA 0.472 62.840 62.300 0.113 0.000 1.173 1577 V CB 0.509 32.373 31.823 0.068 0.000 0.925 1577 V HN 1.110 nan 8.190 nan 0.000 0.492 1578 N N 1.016 119.783 118.700 0.112 0.000 2.815 1578 N HA -0.159 4.581 4.740 -0.000 0.000 0.247 1578 N C 0.185 175.763 175.510 0.114 0.000 1.030 1578 N CA 1.246 54.367 53.050 0.117 0.000 0.881 1578 N CB -0.397 38.159 38.487 0.115 0.000 1.134 1578 N HN 0.820 nan 8.380 nan 0.000 0.582 1579 D N 0.636 121.040 120.400 0.007 0.000 2.423 1579 D HA 0.335 4.975 4.640 -0.000 0.000 0.255 1579 D C 0.020 176.044 176.300 -0.460 0.000 1.174 1579 D CA 0.173 53.985 54.000 -0.313 0.000 1.008 1579 D CB 0.637 41.240 40.800 -0.328 0.000 1.101 1579 D HN -0.025 nan 8.370 nan 0.000 0.516 1580 D N -0.537 119.402 120.400 -0.768 0.000 2.248 1580 D HA 0.413 5.053 4.640 -0.000 0.000 0.246 1580 D C -0.851 174.990 176.300 -0.766 0.000 1.027 1580 D CA -0.200 53.458 54.000 -0.570 0.000 0.853 1580 D CB 0.962 41.479 40.800 -0.471 0.000 1.243 1580 D HN 0.206 nan 8.370 nan 0.000 0.462 1581 Y N 0.008 120.324 120.300 0.026 0.000 2.470 1581 Y HA 0.332 4.882 4.550 -0.000 0.000 0.341 1581 Y C -0.365 175.641 175.900 0.176 0.000 1.021 1581 Y CA -1.277 56.892 58.100 0.115 0.000 1.025 1581 Y CB 1.698 40.172 38.460 0.023 0.000 1.266 1581 Y HN 0.193 nan 8.280 nan 0.000 0.448 1582 L N 5.312 126.798 121.223 0.439 0.000 2.283 1582 L HA 0.621 4.961 4.340 -0.000 0.000 0.287 1582 L C -1.190 175.874 176.870 0.324 0.000 1.073 1582 L CA 0.108 55.194 54.840 0.410 0.000 0.822 1582 L CB -0.275 41.968 42.059 0.307 0.000 1.186 1582 L HN 0.497 nan 8.230 nan 0.000 0.436 1583 I N 4.666 125.371 120.570 0.225 0.000 2.404 1583 I HA 0.493 4.663 4.170 -0.000 0.000 0.293 1583 I C -1.222 174.906 176.117 0.019 0.000 0.992 1583 I CA -0.596 60.746 61.300 0.071 0.000 1.149 1583 I CB 1.373 39.278 38.000 -0.158 0.000 1.315 1583 I HN 0.833 nan 8.210 nan 0.000 0.446 1584 W N 5.911 127.072 121.300 -0.231 0.000 3.132 1584 W HA 0.834 5.494 4.660 -0.000 0.000 0.337 1584 W C -0.904 175.383 176.519 -0.386 0.000 1.082 1584 W CA -0.915 56.124 57.345 -0.509 0.000 1.242 1584 W CB 0.902 30.152 29.460 -0.351 0.000 1.354 1584 W HN 0.712 nan 8.180 nan 0.000 0.461 1585 G N 1.347 109.903 108.800 -0.408 0.000 2.782 1585 G HA2 0.593 4.553 3.960 -0.000 0.000 0.304 1585 G HA3 0.593 4.553 3.960 -0.000 0.000 0.304 1585 G C -1.593 173.507 174.900 0.333 0.000 1.315 1585 G CA -0.804 44.317 45.100 0.035 0.000 0.791 1585 G HN 0.640 nan 8.290 nan 0.000 0.519 1586 S N -1.505 114.435 115.700 0.401 0.000 2.532 1586 S HA 0.468 4.938 4.470 -0.000 0.000 0.301 1586 S C 1.232 175.996 174.600 0.274 0.000 1.083 1586 S CA -0.491 57.911 58.200 0.337 0.000 1.025 1586 S CB 1.884 65.191 63.200 0.178 0.000 1.056 1586 S HN 0.637 nan 8.310 nan 0.000 0.494 1587 R N 2.380 122.988 120.500 0.180 0.000 2.127 1587 R HA -0.015 4.325 4.340 -0.000 0.000 0.238 1587 R C 1.944 178.175 176.300 -0.114 0.000 1.134 1587 R CA 2.213 58.296 56.100 -0.029 0.000 0.975 1587 R CB -1.021 29.285 30.300 0.012 0.000 0.865 1587 R HN 0.609 nan 8.270 nan 0.000 0.447 1588 S N 0.605 116.302 115.700 -0.005 0.000 2.440 1588 S HA -0.114 4.356 4.470 -0.000 0.000 0.240 1588 S C 0.259 174.838 174.600 -0.036 0.000 1.014 1588 S CA 1.500 59.705 58.200 0.009 0.000 0.980 1588 S CB -0.160 63.101 63.200 0.102 0.000 0.775 1588 S HN 0.423 nan 8.310 nan 0.000 0.499 1589 D N 0.650 121.008 120.400 -0.069 0.000 2.525 1589 D HA 0.279 4.919 4.640 -0.000 0.000 0.229 1589 D C 0.171 176.297 176.300 -0.290 0.000 1.202 1589 D CA -0.106 53.847 54.000 -0.079 0.000 0.828 1589 D CB -0.051 40.785 40.800 0.060 0.000 1.008 1589 D HN 0.321 nan 8.370 nan 0.000 0.493 1590 L N 0.444 121.370 121.223 -0.494 0.000 2.475 1590 L HA 0.359 4.699 4.340 -0.000 0.000 0.250 1590 L C -0.278 176.413 176.870 -0.300 0.000 1.224 1590 L CA -0.295 54.154 54.840 -0.653 0.000 0.821 1590 L CB 1.005 42.699 42.059 -0.607 0.000 1.141 1590 L HN -0.009 nan 8.230 nan 0.000 0.494 1591 L N 2.306 123.392 121.223 -0.229 0.000 2.661 1591 L HA 0.372 4.712 4.340 -0.000 0.000 0.263 1591 L C -2.487 174.324 176.870 -0.097 0.000 0.956 1591 L CA -1.430 53.336 54.840 -0.123 0.000 0.918 1591 L CB 2.147 44.160 42.059 -0.077 0.000 1.280 1591 L HN 0.358 nan 8.230 nan 0.000 0.416 1592 P HA 0.028 nan 4.420 nan 0.000 0.257 1592 P C -0.399 176.877 177.300 -0.040 0.000 1.269 1592 P CA 0.677 63.742 63.100 -0.059 0.000 1.122 1592 P CB 0.280 31.951 31.700 -0.047 0.000 1.285 1593 T N 2.337 116.868 114.554 -0.038 0.000 2.902 1593 T HA 0.257 4.607 4.350 -0.000 0.000 0.280 1593 T C 0.342 175.032 174.700 -0.017 0.000 0.992 1593 T CA -0.868 61.219 62.100 -0.023 0.000 1.015 1593 T CB 0.508 69.364 68.868 -0.020 0.000 1.044 1593 T HN -0.060 nan 8.240 nan 0.000 0.520 1594 K N 2.987 123.382 120.400 -0.008 0.000 2.034 1594 K HA 0.070 4.390 4.320 -0.000 0.000 0.225 1594 K C -0.426 176.173 176.600 -0.002 0.000 1.190 1594 K CA 0.287 56.571 56.287 -0.004 0.000 1.152 1594 K CB -1.079 31.421 32.500 -0.000 0.000 1.300 1594 K HN 0.606 nan 8.250 nan 0.000 0.268 1595 D N 2.487 122.884 120.400 -0.005 0.000 2.746 1595 D HA -0.203 4.437 4.640 -0.000 0.000 0.241 1595 D C -0.412 175.892 176.300 0.007 0.000 1.140 1595 D CA 1.327 55.327 54.000 0.000 0.000 0.707 1595 D CB -0.710 40.093 40.800 0.004 0.000 1.034 1595 D HN 0.849 nan 8.370 nan 0.000 0.423 1596 K N -0.086 120.316 120.400 0.003 0.000 2.652 1596 K HA 0.192 4.512 4.320 -0.000 0.000 0.169 1596 K C 0.613 177.210 176.600 -0.006 0.000 1.238 1596 K CA -0.559 55.737 56.287 0.015 0.000 1.147 1596 K CB 0.037 32.551 32.500 0.023 0.000 0.985 1596 K HN 0.223 nan 8.250 nan 0.000 0.508 1597 I N 2.758 123.305 120.570 -0.039 0.000 6.282 1597 I HA -0.274 3.896 4.170 -0.000 0.000 0.126 1597 I C -1.438 174.599 176.117 -0.133 0.000 1.399 1597 I CA 1.115 62.355 61.300 -0.101 0.000 2.516 1597 I CB -0.083 37.808 38.000 -0.183 0.000 2.632 1597 I HN 0.587 nan 8.210 nan 0.000 0.293 1598 S N 6.903 122.558 115.700 -0.076 0.000 2.536 1598 S HA 0.824 5.294 4.470 -0.000 0.000 0.287 1598 S C -0.955 173.675 174.600 0.049 0.000 1.101 1598 S CA -0.930 57.229 58.200 -0.068 0.000 0.950 1598 S CB 1.918 65.089 63.200 -0.048 0.000 1.056 1598 S HN 0.519 nan 8.310 nan 0.000 0.481 1599 Y N 1.259 121.288 120.300 -0.451 0.000 2.631 1599 Y HA 0.700 5.250 4.550 -0.000 0.000 0.328 1599 Y C 0.348 176.181 175.900 -0.112 0.000 1.118 1599 Y CA -2.170 55.762 58.100 -0.280 0.000 1.206 1599 Y CB 0.878 39.168 38.460 -0.283 0.000 1.337 1599 Y HN 0.794 nan 8.280 nan 0.000 0.515 1600 I N 0.068 120.741 120.570 0.171 0.000 2.465 1600 I HA 0.501 4.671 4.170 -0.000 0.000 0.291 1600 I C -1.161 175.061 176.117 0.177 0.000 1.014 1600 I CA -1.080 60.306 61.300 0.145 0.000 1.093 1600 I CB 1.659 39.705 38.000 0.076 0.000 1.267 1600 I HN 0.224 nan 8.210 nan 0.000 0.431 1601 I N 5.702 126.357 120.570 0.142 0.000 2.471 1601 I HA 0.133 4.303 4.170 -0.000 0.000 0.294 1601 I C 1.123 177.253 176.117 0.021 0.000 1.123 1601 I CA 0.721 62.065 61.300 0.073 0.000 1.336 1601 I CB 0.276 38.249 38.000 -0.045 0.000 1.430 1601 I HN 0.778 nan 8.210 nan 0.000 0.533 1602 T N 2.227 116.802 114.554 0.034 0.000 2.937 1602 T HA 0.392 4.742 4.350 -0.000 0.000 0.283 1602 T C 0.953 175.638 174.700 -0.026 0.000 1.012 1602 T CA -0.960 61.148 62.100 0.013 0.000 0.997 1602 T CB 1.106 70.000 68.868 0.043 0.000 1.136 1602 T HN 0.645 nan 8.240 nan 0.000 0.551 1603 K N 0.313 120.694 120.400 -0.031 0.000 2.633 1603 K HA -0.071 4.249 4.320 -0.000 0.000 0.193 1603 K C 1.145 177.723 176.600 -0.037 0.000 1.033 1603 K CA 1.450 57.707 56.287 -0.051 0.000 0.980 1603 K CB -0.513 31.956 32.500 -0.053 0.000 0.800 1603 K HN 0.665 nan 8.250 nan 0.000 0.493 1604 N N 0.112 118.801 118.700 -0.019 0.000 2.445 1604 N HA -0.032 4.708 4.740 -0.000 0.000 0.204 1604 N C -0.436 175.058 175.510 -0.027 0.000 1.098 1604 N CA -0.036 53.011 53.050 -0.006 0.000 0.859 1604 N CB 0.868 39.365 38.487 0.016 0.000 1.249 1604 N HN -0.066 nan 8.380 nan 0.000 0.462 1605 T N 1.450 115.993 114.554 -0.018 0.000 2.752 1605 T HA 0.064 4.414 4.350 -0.000 0.000 0.295 1605 T C -1.356 173.265 174.700 -0.131 0.000 0.923 1605 T CA -0.291 61.788 62.100 -0.035 0.000 1.112 1605 T CB -0.005 68.909 68.868 0.075 0.000 0.884 1605 T HN 0.258 nan 8.240 nan 0.000 0.525 1606 W N 7.423 128.395 121.300 -0.548 0.000 2.376 1606 W HA 0.542 5.202 4.660 -0.000 0.000 0.312 1606 W C -1.892 174.310 176.519 -0.527 0.000 1.060 1606 W CA -1.917 55.023 57.345 -0.674 0.000 1.221 1606 W CB -0.031 28.674 29.460 -1.259 0.000 1.281 1606 W HN 0.348 nan 8.180 nan 0.000 0.456 1607 I N 3.948 124.356 120.570 -0.270 0.000 2.750 1607 I HA 0.549 4.719 4.170 -0.000 0.000 0.308 1607 I C -0.289 175.742 176.117 -0.143 0.000 1.016 1607 I CA -1.147 60.065 61.300 -0.146 0.000 1.098 1607 I CB 1.781 39.603 38.000 -0.298 0.000 1.279 1607 I HN 0.456 nan 8.210 nan 0.000 0.454 1608 E N 1.588 121.874 120.200 0.144 0.000 2.372 1608 E HA 0.500 4.850 4.350 -0.000 0.000 0.279 1608 E C -1.263 175.576 176.600 0.399 0.000 0.946 1608 E CA -1.070 55.463 56.400 0.221 0.000 0.769 1608 E CB 1.905 31.828 29.700 0.371 0.000 1.230 1608 E HN 0.484 nan 8.360 nan 0.000 0.442 1609 R N 2.858 123.546 120.500 0.314 0.000 2.316 1609 R HA 0.170 4.510 4.340 -0.000 0.000 0.314 1609 R C -1.486 174.967 176.300 0.255 0.000 1.069 1609 R CA -0.167 56.038 56.100 0.175 0.000 0.959 1609 R CB 0.460 30.770 30.300 0.017 0.000 0.987 1609 R HN 0.409 nan 8.270 nan 0.000 0.446 1610 W N 9.363 130.654 121.300 -0.015 0.000 2.336 1610 W HA 0.402 5.062 4.660 -0.000 0.000 0.315 1610 W C -2.566 173.889 176.519 -0.107 0.000 1.016 1610 W CA -3.278 54.247 57.345 0.300 0.000 1.318 1610 W CB 1.354 30.951 29.460 0.227 0.000 1.247 1610 W HN 0.582 nan 8.180 nan 0.000 0.414 1611 P HA -0.133 nan 4.420 nan 0.000 0.260 1611 P C 0.208 177.517 177.300 0.014 0.000 1.185 1611 P CA 0.835 63.809 63.100 -0.209 0.000 0.763 1611 P CB 0.295 31.777 31.700 -0.363 0.000 0.776 1612 H N 2.365 121.379 119.070 -0.093 0.000 3.092 1612 H HA -0.068 4.488 4.556 -0.000 0.000 0.332 1612 H C 1.586 176.923 175.328 0.015 0.000 1.029 1612 H CA 0.687 56.712 56.048 -0.039 0.000 1.376 1612 H CB 0.434 30.166 29.762 -0.050 0.000 1.329 1612 H HN 0.596 nan 8.280 nan 0.000 0.598 1613 E N 2.467 122.792 120.200 0.207 0.000 2.065 1613 E HA -0.238 4.112 4.350 -0.000 0.000 0.201 1613 E C 1.083 177.744 176.600 0.102 0.000 1.016 1613 E CA 1.800 58.278 56.400 0.130 0.000 0.818 1613 E CB 0.235 29.984 29.700 0.082 0.000 0.749 1613 E HN 0.677 nan 8.360 nan 0.000 0.453 1614 D N 0.308 120.748 120.400 0.066 0.000 2.087 1614 D HA -0.208 4.432 4.640 -0.000 0.000 0.192 1614 D C 1.786 178.149 176.300 0.106 0.000 0.993 1614 D CA 1.159 55.192 54.000 0.056 0.000 0.828 1614 D CB -0.564 40.239 40.800 0.005 0.000 0.968 1614 D HN 0.325 nan 8.370 nan 0.000 0.448 1615 E N 0.146 120.434 120.200 0.147 0.000 2.253 1615 E HA -0.207 4.143 4.350 -0.000 0.000 0.202 1615 E C 2.246 179.002 176.600 0.260 0.000 1.014 1615 E CA 0.678 57.219 56.400 0.235 0.000 0.823 1615 E CB -0.241 29.574 29.700 0.191 0.000 0.736 1615 E HN 0.293 nan 8.360 nan 0.000 0.478 1616 c N 1.247 119.948 118.600 0.168 0.000 2.398 1616 c HA -0.174 4.396 4.570 -0.000 0.000 0.279 1616 c C 2.245 176.414 174.090 0.133 0.000 1.250 1616 c CA 0.775 57.195 56.329 0.151 0.000 1.786 1616 c CB -0.821 41.758 42.510 0.116 0.000 2.018 1616 c HN 0.482 nan 8.230 nan 0.000 0.494 1617 Q N 0.936 120.804 119.800 0.112 0.000 2.488 1617 Q HA 0.058 4.398 4.340 -0.000 0.000 0.211 1617 Q C 0.571 176.610 176.000 0.065 0.000 0.967 1617 Q CA 0.764 56.612 55.803 0.075 0.000 0.926 1617 Q CB -0.251 28.522 28.738 0.058 0.000 0.992 1617 Q HN 0.755 nan 8.270 nan 0.000 0.506 1618 E N 0.537 120.793 120.200 0.094 0.000 2.250 1618 E HA 0.124 4.474 4.350 -0.000 0.000 0.265 1618 E C 0.255 176.842 176.600 -0.022 0.000 1.033 1618 E CA -0.337 56.078 56.400 0.024 0.000 0.888 1618 E CB 0.989 30.686 29.700 -0.005 0.000 1.151 1618 E HN 0.048 nan 8.360 nan 0.000 0.412 1619 E N 1.064 121.216 120.200 -0.080 0.000 2.208 1619 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 1619 E C 1.521 178.025 176.600 -0.159 0.000 0.988 1619 E CA 0.733 57.079 56.400 -0.090 0.000 0.828 1619 E CB 0.232 29.882 29.700 -0.083 0.000 0.763 1619 E HN 0.510 nan 8.360 nan 0.000 0.478 1620 E N -1.329 118.670 120.200 -0.335 0.000 2.418 1620 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 1620 E C 0.675 176.984 176.600 -0.484 0.000 1.026 1620 E CA 0.705 56.753 56.400 -0.586 0.000 0.862 1620 E CB 0.212 29.266 29.700 -1.078 0.000 0.799 1620 E HN 0.351 nan 8.360 nan 0.000 0.518 1621 F N -0.943 118.991 119.950 -0.027 0.000 2.767 1621 F HA 0.015 4.542 4.527 -0.000 0.000 0.329 1621 F C 2.253 178.016 175.800 -0.061 0.000 0.912 1621 F CA -0.417 57.553 58.000 -0.048 0.000 1.115 1621 F CB 0.029 39.015 39.000 -0.023 0.000 0.936 1621 F HN -0.097 nan 8.300 nan 0.000 0.624 1622 Q N 1.614 121.497 119.800 0.138 0.000 2.118 1622 Q HA -0.255 4.085 4.340 -0.000 0.000 0.211 1622 Q C 1.422 177.440 176.000 0.030 0.000 0.998 1622 Q CA 1.503 57.351 55.803 0.075 0.000 0.872 1622 Q CB -0.711 28.054 28.738 0.046 0.000 0.925 1622 Q HN 0.240 nan 8.270 nan 0.000 0.414 1623 K N 0.909 121.317 120.400 0.014 0.000 2.034 1623 K HA -0.132 4.188 4.320 -0.000 0.000 0.214 1623 K C 2.220 178.777 176.600 -0.072 0.000 1.051 1623 K CA 1.020 57.296 56.287 -0.018 0.000 0.931 1623 K CB -0.923 31.566 32.500 -0.019 0.000 0.715 1623 K HN 0.196 nan 8.250 nan 0.000 0.446 1624 L N 1.117 122.268 121.223 -0.121 0.000 1.989 1624 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 1624 L C 2.537 179.174 176.870 -0.389 0.000 1.071 1624 L CA 1.583 56.205 54.840 -0.363 0.000 0.749 1624 L CB -0.790 40.974 42.059 -0.491 0.000 0.890 1624 L HN 0.205 nan 8.230 nan 0.000 0.431 1625 c N -0.540 117.938 118.600 -0.203 0.000 2.336 1625 c HA -0.307 4.263 4.570 -0.000 0.000 0.272 1625 c C 2.644 176.736 174.090 0.004 0.000 1.160 1625 c CA 1.391 57.687 56.329 -0.054 0.000 1.783 1625 c CB -1.039 41.501 42.510 0.049 0.000 2.050 1625 c HN 0.693 nan 8.230 nan 0.000 0.443 1626 D N 0.522 120.923 120.400 0.001 0.000 2.088 1626 D HA -0.153 4.487 4.640 -0.000 0.000 0.191 1626 D C 1.621 177.949 176.300 0.046 0.000 0.992 1626 D CA 1.993 56.012 54.000 0.031 0.000 0.831 1626 D CB -0.576 40.235 40.800 0.020 0.000 0.973 1626 D HN 0.488 nan 8.370 nan 0.000 0.447 1627 D N -0.131 120.272 120.400 0.006 0.000 2.133 1627 D HA -0.205 4.435 4.640 -0.000 0.000 0.192 1627 D C 2.173 178.568 176.300 0.158 0.000 1.001 1627 D CA 0.713 54.746 54.000 0.055 0.000 0.844 1627 D CB -0.774 40.031 40.800 0.009 0.000 0.944 1627 D HN 0.269 nan 8.370 nan 0.000 0.447 1628 F N 1.658 121.503 119.950 -0.175 0.000 2.000 1628 F HA -0.203 4.324 4.527 -0.000 0.000 0.296 1628 F C 2.781 178.512 175.800 -0.115 0.000 1.159 1628 F CA 0.683 58.474 58.000 -0.349 0.000 1.183 1628 F CB -1.442 37.081 39.000 -0.796 0.000 0.959 1628 F HN -0.031 nan 8.300 nan 0.000 0.490 1629 A N -0.665 122.281 122.820 0.210 0.000 1.971 1629 A HA -0.346 3.974 4.320 -0.000 0.000 0.222 1629 A C 2.196 179.912 177.584 0.221 0.000 1.182 1629 A CA 2.322 54.503 52.037 0.240 0.000 0.649 1629 A CB -1.180 17.941 19.000 0.201 0.000 0.818 1629 A HN 0.581 nan 8.150 nan 0.000 0.458 1630 Q N -2.041 117.874 119.800 0.192 0.000 2.046 1630 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 1630 Q C 1.809 177.954 176.000 0.242 0.000 0.975 1630 Q CA 1.664 57.589 55.803 0.203 0.000 0.836 1630 Q CB -0.272 28.557 28.738 0.152 0.000 0.896 1630 Q HN 0.667 nan 8.270 nan 0.000 0.428 1631 F N 0.568 120.548 119.950 0.051 0.000 2.011 1631 F HA -0.329 4.198 4.527 -0.000 0.000 0.296 1631 F C 2.620 178.430 175.800 0.017 0.000 1.144 1631 F CA 2.081 60.075 58.000 -0.011 0.000 1.185 1631 F CB -1.152 37.784 39.000 -0.108 0.000 0.961 1631 F HN 0.127 nan 8.300 nan 0.000 0.485 1632 S N -0.901 114.879 115.700 0.133 0.000 2.378 1632 S HA -0.385 4.085 4.470 -0.000 0.000 0.229 1632 S C 2.084 176.722 174.600 0.063 0.000 1.052 1632 S CA 2.021 60.287 58.200 0.109 0.000 1.084 1632 S CB -1.207 62.213 63.200 0.367 0.000 0.950 1632 S HN 0.602 nan 8.310 nan 0.000 0.440 1633 Y N 1.618 121.933 120.300 0.025 0.000 2.133 1633 Y HA -0.052 4.498 4.550 -0.000 0.000 0.287 1633 Y C 2.778 178.661 175.900 -0.028 0.000 1.134 1633 Y CA 2.298 60.398 58.100 0.001 0.000 1.133 1633 Y CB -1.089 37.402 38.460 0.051 0.000 0.987 1633 Y HN 0.292 nan 8.280 nan 0.000 0.502 1634 T N 1.369 115.960 114.554 0.061 0.000 2.684 1634 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 1634 T C 2.042 176.704 174.700 -0.062 0.000 1.036 1634 T CA 1.760 63.915 62.100 0.092 0.000 1.148 1634 T CB -0.562 68.381 68.868 0.126 0.000 0.863 1634 T HN 0.274 nan 8.240 nan 0.000 0.436 1635 L N 0.378 121.430 121.223 -0.286 0.000 1.973 1635 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 1635 L C 2.912 179.602 176.870 -0.300 0.000 1.073 1635 L CA 1.422 56.058 54.840 -0.341 0.000 0.746 1635 L CB -0.989 40.719 42.059 -0.586 0.000 0.891 1635 L HN 0.243 nan 8.230 nan 0.000 0.433 1636 T N -0.616 113.758 114.554 -0.300 0.000 2.755 1636 T HA -0.272 4.078 4.350 -0.000 0.000 0.266 1636 T C 1.313 175.791 174.700 -0.370 0.000 1.041 1636 T CA 1.683 63.628 62.100 -0.259 0.000 1.147 1636 T CB -0.180 68.583 68.868 -0.175 0.000 0.847 1636 T HN 0.412 nan 8.240 nan 0.000 0.478 1637 E N -1.168 118.667 120.200 -0.609 0.000 2.601 1637 E HA 0.228 4.578 4.350 -0.000 0.000 0.219 1637 E C -0.837 175.098 176.600 -1.109 0.000 0.964 1637 E CA -0.136 55.745 56.400 -0.865 0.000 1.050 1637 E CB 0.745 29.780 29.700 -1.108 0.000 1.068 1637 E HN 0.405 nan 8.360 nan 0.000 0.496 1638 F N -0.156 119.648 119.950 -0.243 0.000 2.569 1638 F HA 0.453 4.980 4.527 -0.000 0.000 0.312 1638 F C 0.992 176.699 175.800 -0.154 0.000 1.109 1638 F CA -1.280 56.619 58.000 -0.169 0.000 0.919 1638 F CB 0.997 39.910 39.000 -0.146 0.000 1.211 1638 F HN -0.178 nan 8.300 nan 0.000 0.446 1639 G N 0.081 108.915 108.800 0.057 0.000 2.443 1639 G HA2 0.073 4.033 3.960 -0.000 0.000 0.286 1639 G HA3 0.073 4.033 3.960 -0.000 0.000 0.286 1639 G C -0.545 174.337 174.900 -0.030 0.000 1.393 1639 G CA -0.527 44.566 45.100 -0.012 0.000 1.080 1639 G HN 0.801 nan 8.290 nan 0.000 0.566 1640 c N 1.256 119.828 118.600 -0.048 0.000 2.629 1640 c HA 0.216 4.786 4.570 -0.000 0.000 0.410 1640 c C -0.163 173.901 174.090 -0.044 0.000 1.339 1640 c CA -0.538 55.755 56.329 -0.060 0.000 1.810 1640 c CB 0.745 43.221 42.510 -0.057 0.000 2.549 1640 c HN 0.538 nan 8.230 nan 0.000 0.589 1641 P HA -0.131 nan 4.420 nan 0.000 0.219 1641 P C 0.832 178.110 177.300 -0.037 0.000 1.158 1641 P CA 1.671 64.742 63.100 -0.048 0.000 0.895 1641 P CB -0.108 31.561 31.700 -0.052 0.000 0.792 1642 T N 0.000 114.534 114.554 -0.033 0.000 3.816 1642 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1642 T CA 0.000 62.085 62.100 -0.025 0.000 1.349 1642 T CB 0.000 68.856 68.868 -0.021 0.000 0.612 1642 T HN 0.000 nan 8.240 nan 0.000 0.658