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_D 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 0.000 177.375 177.584 -0.349 0.000 1.274 23 A CA 0.000 51.901 52.037 -0.226 0.000 0.836 23 A CB 0.000 18.934 19.000 -0.110 0.000 0.831 24 L N 1.056 122.032 121.223 -0.413 0.000 2.333 24 L HA 0.804 5.145 4.340 0.002 0.000 0.280 24 L C -1.726 174.890 176.870 -0.423 0.000 1.004 24 L CA -0.791 53.859 54.840 -0.317 0.000 0.820 24 L CB 1.099 43.103 42.059 -0.091 0.000 1.247 24 L HN 0.184 nan 8.230 nan 0.000 0.416 25 Y N 2.215 122.576 120.300 0.101 0.000 2.364 25 Y HA 0.703 5.254 4.550 0.002 0.000 0.340 25 Y C 0.308 176.262 175.900 0.090 0.000 0.975 25 Y CA -0.883 57.273 58.100 0.094 0.000 1.089 25 Y CB 2.140 40.630 38.460 0.050 0.000 1.192 25 Y HN 0.626 nan 8.280 nan 0.000 0.454 26 T N 1.528 116.248 114.554 0.275 0.000 2.886 26 T HA 0.653 5.004 4.350 0.002 0.000 0.292 26 T C -1.536 173.260 174.700 0.160 0.000 1.012 26 T CA -0.797 61.412 62.100 0.182 0.000 0.982 26 T CB 1.517 70.502 68.868 0.195 0.000 1.018 26 T HN 0.440 nan 8.240 nan 0.000 0.451 27 L N 4.001 125.290 121.223 0.109 0.000 2.333 27 L HA 0.767 5.108 4.340 0.002 0.000 0.280 27 L C -1.361 175.570 176.870 0.102 0.000 1.004 27 L CA -1.024 53.874 54.840 0.098 0.000 0.820 27 L CB 0.820 42.918 42.059 0.065 0.000 1.247 27 L HN 0.800 nan 8.230 nan 0.000 0.416 28 I N 4.427 125.081 120.570 0.140 0.000 2.509 28 I HA 0.705 4.877 4.170 0.002 0.000 0.293 28 I C -0.132 176.054 176.117 0.116 0.000 1.020 28 I CA -0.399 61.002 61.300 0.167 0.000 1.088 28 I CB 2.151 40.323 38.000 0.287 0.000 1.267 28 I HN 0.758 nan 8.210 nan 0.000 0.430 29 T N 2.854 117.458 114.554 0.084 0.000 2.792 29 T HA 0.532 4.883 4.350 0.002 0.000 0.303 29 T C -3.043 171.667 174.700 0.016 0.000 1.310 29 T CA -2.118 60.005 62.100 0.038 0.000 1.007 29 T CB 2.041 70.906 68.868 -0.004 0.000 1.335 29 T HN 0.133 nan 8.240 nan 0.000 0.504 30 P HA 0.268 nan 4.420 nan 0.000 0.266 30 P C 0.775 177.985 177.300 -0.150 0.000 1.195 30 P CA 0.074 63.137 63.100 -0.061 0.000 0.768 30 P CB 0.250 31.906 31.700 -0.073 0.000 0.838 31 A N 3.156 125.859 122.820 -0.194 0.000 1.978 31 A HA -0.047 4.274 4.320 0.002 0.000 0.220 31 A C 0.731 178.057 177.584 -0.429 0.000 1.170 31 A CA 1.644 53.522 52.037 -0.265 0.000 0.636 31 A CB -0.443 18.419 19.000 -0.230 0.000 0.810 31 A HN 0.439 nan 8.150 nan 0.000 0.448 32 V N -0.076 119.444 119.914 -0.657 0.000 2.623 32 V HA 0.399 4.520 4.120 0.002 0.000 0.304 32 V C -0.824 175.004 176.094 -0.443 0.000 1.054 32 V CA -0.511 61.368 62.300 -0.701 0.000 0.882 32 V CB 1.742 32.819 31.823 -1.243 0.000 1.002 32 V HN 0.324 nan 8.190 nan 0.000 0.424 33 L N 4.822 125.891 121.223 -0.258 0.000 2.295 33 L HA 0.597 4.938 4.340 0.002 0.000 0.285 33 L C 0.411 177.217 176.870 -0.107 0.000 1.035 33 L CA -0.533 54.217 54.840 -0.150 0.000 0.806 33 L CB 1.284 43.261 42.059 -0.137 0.000 1.214 33 L HN 0.514 nan 8.230 nan 0.000 0.426 34 R N 1.744 122.205 120.500 -0.065 0.000 2.216 34 R HA 0.229 4.570 4.340 0.002 0.000 0.332 34 R C 0.167 176.414 176.300 -0.088 0.000 1.056 34 R CA -0.461 55.597 56.100 -0.070 0.000 0.901 34 R CB 0.792 31.044 30.300 -0.079 0.000 1.039 34 R HN 0.666 nan 8.270 nan 0.000 0.456 35 T N -0.397 114.097 114.554 -0.100 0.000 2.855 35 T HA -0.066 4.285 4.350 0.002 0.000 0.322 35 T C 0.449 175.117 174.700 -0.054 0.000 1.088 35 T CA -0.523 61.530 62.100 -0.077 0.000 1.104 35 T CB 0.352 69.174 68.868 -0.077 0.000 0.996 35 T HN 0.637 nan 8.240 nan 0.000 0.549 36 D N 0.184 120.567 120.400 -0.028 0.000 2.713 36 D HA -0.132 4.510 4.640 0.002 0.000 0.231 36 D C -0.405 175.871 176.300 -0.040 0.000 1.173 36 D CA 1.396 55.384 54.000 -0.021 0.000 0.628 36 D CB -1.304 39.485 40.800 -0.019 0.000 1.033 36 D HN 0.793 nan 8.370 nan 0.000 0.419 37 T N 0.010 114.537 114.554 -0.045 0.000 3.293 37 T HA 0.135 4.486 4.350 0.002 0.000 0.320 37 T C -0.300 174.374 174.700 -0.044 0.000 0.995 37 T CA -0.783 61.282 62.100 -0.057 0.000 1.041 37 T CB 2.160 70.960 68.868 -0.114 0.000 1.058 37 T HN 0.143 nan 8.240 nan 0.000 0.453 38 E N 2.779 122.967 120.200 -0.020 0.000 2.568 38 E HA 0.008 4.360 4.350 0.002 0.000 0.262 38 E C -0.403 176.177 176.600 -0.035 0.000 0.961 38 E CA 0.623 57.013 56.400 -0.017 0.000 0.945 38 E CB 0.538 30.244 29.700 0.009 0.000 0.924 38 E HN 0.425 nan 8.360 nan 0.000 0.467 39 E N 3.209 123.374 120.200 -0.059 0.000 2.340 39 E HA 0.194 4.546 4.350 0.002 0.000 0.273 39 E C -1.173 175.393 176.600 -0.057 0.000 0.891 39 E CA -0.710 55.657 56.400 -0.055 0.000 0.757 39 E CB 2.053 31.707 29.700 -0.077 0.000 1.231 39 E HN 0.519 nan 8.360 nan 0.000 0.439 40 Q N 2.138 121.929 119.800 -0.015 0.000 2.322 40 Q HA 0.512 4.853 4.340 0.002 0.000 0.265 40 Q C -0.488 175.515 176.000 0.004 0.000 0.985 40 Q CA -0.529 55.274 55.803 0.000 0.000 0.849 40 Q CB 1.465 30.234 28.738 0.051 0.000 1.274 40 Q HN 0.514 nan 8.270 nan 0.000 0.449 41 I N 0.185 120.749 120.570 -0.010 0.000 2.797 41 I HA 0.625 4.796 4.170 0.002 0.000 0.307 41 I C -1.406 174.735 176.117 0.039 0.000 1.033 41 I CA -1.361 59.946 61.300 0.011 0.000 1.071 41 I CB 1.499 39.490 38.000 -0.014 0.000 1.255 41 I HN 0.431 nan 8.210 nan 0.000 0.445 42 L N 5.186 126.452 121.223 0.071 0.000 2.313 42 L HA 0.719 5.061 4.340 0.002 0.000 0.283 42 L C -1.182 175.750 176.870 0.104 0.000 1.013 42 L CA -0.410 54.486 54.840 0.094 0.000 0.816 42 L CB 1.623 43.763 42.059 0.135 0.000 1.236 42 L HN 0.580 nan 8.230 nan 0.000 0.419 43 V N 5.001 124.968 119.914 0.089 0.000 2.709 43 V HA 0.589 4.710 4.120 0.002 0.000 0.308 43 V C -0.779 175.372 176.094 0.095 0.000 1.062 43 V CA -0.456 61.903 62.300 0.098 0.000 0.901 43 V CB 2.194 34.061 31.823 0.074 0.000 1.003 43 V HN 0.864 nan 8.190 nan 0.000 0.425 44 E N 2.797 123.073 120.200 0.127 0.000 2.293 44 E HA 0.762 5.113 4.350 0.002 0.000 0.270 44 E C -1.019 175.633 176.600 0.087 0.000 0.879 44 E CA -0.793 55.642 56.400 0.057 0.000 0.756 44 E CB 2.444 32.176 29.700 0.053 0.000 1.208 44 E HN 0.762 nan 8.360 nan 0.000 0.428 45 A N 3.379 126.194 122.820 -0.009 0.000 2.287 45 A HA 0.444 4.765 4.320 0.002 0.000 0.317 45 A C -1.041 176.435 177.584 -0.180 0.000 1.220 45 A CA -0.631 51.429 52.037 0.038 0.000 0.835 45 A CB 0.528 19.651 19.000 0.205 0.000 1.180 45 A HN 0.568 nan 8.150 nan 0.000 0.500 46 H N 1.381 120.458 119.070 0.012 0.000 2.504 46 H HA 0.458 5.016 4.556 0.002 0.000 0.322 46 H C 0.828 176.139 175.328 -0.030 0.000 1.055 46 H CA 0.628 56.719 56.048 0.071 0.000 1.231 46 H CB 1.542 31.341 29.762 0.062 0.000 1.417 46 H HN 1.326 nan 8.280 nan 0.000 0.472 47 G N 3.501 112.379 108.800 0.130 0.000 2.502 47 G HA2 -0.197 3.764 3.960 0.002 0.000 0.273 47 G HA3 -0.197 3.764 3.960 0.002 0.000 0.273 47 G C -0.446 174.463 174.900 0.014 0.000 1.021 47 G CA 0.411 45.542 45.100 0.052 0.000 1.333 47 G HN 0.828 nan 8.290 nan 0.000 0.508 48 D N -0.006 120.417 120.400 0.038 0.000 3.222 48 D HA 0.102 4.743 4.640 0.002 0.000 0.198 48 D C 0.822 177.152 176.300 0.051 0.000 1.360 48 D CA 0.157 54.183 54.000 0.044 0.000 1.388 48 D CB -0.486 40.353 40.800 0.064 0.000 1.213 48 D HN 0.163 nan 8.370 nan 0.000 0.717 49 S N 0.743 116.468 115.700 0.040 0.000 3.009 49 S HA 0.129 4.600 4.470 0.002 0.000 0.243 49 S C 0.622 175.240 174.600 0.030 0.000 1.012 49 S CA 0.314 58.534 58.200 0.033 0.000 1.113 49 S CB -0.519 62.697 63.200 0.028 0.000 0.827 49 S HN 0.576 nan 8.310 nan 0.000 0.495 50 T N 0.490 115.068 114.554 0.039 0.000 2.770 50 T HA 0.486 4.837 4.350 0.002 0.000 0.283 50 T C -2.939 171.784 174.700 0.037 0.000 0.988 50 T CA -2.689 59.432 62.100 0.035 0.000 0.957 50 T CB 1.183 70.073 68.868 0.037 0.000 0.930 50 T HN -0.173 nan 8.240 nan 0.000 0.443 51 P HA 0.177 nan 4.420 nan 0.000 0.268 51 P C -0.324 176.989 177.300 0.023 0.000 1.189 51 P CA 0.039 63.153 63.100 0.023 0.000 0.771 51 P CB 0.386 32.096 31.700 0.017 0.000 0.822 52 K N 1.140 121.552 120.400 0.019 0.000 2.555 52 K HA 0.416 4.737 4.320 0.002 0.000 0.279 52 K C -0.959 175.646 176.600 0.008 0.000 0.986 52 K CA -0.757 55.536 56.287 0.011 0.000 0.880 52 K CB 2.009 34.513 32.500 0.008 0.000 1.474 52 K HN 0.325 nan 8.250 nan 0.000 0.433 53 Q N 2.450 122.251 119.800 0.002 0.000 2.444 53 Q HA 0.324 4.665 4.340 0.002 0.000 0.251 53 Q C -1.367 174.636 176.000 0.004 0.000 0.939 53 Q CA -0.435 55.373 55.803 0.009 0.000 0.740 53 Q CB 1.289 30.035 28.738 0.013 0.000 1.308 53 Q HN 0.466 nan 8.270 nan 0.000 0.461 54 L N -0.936 120.293 121.223 0.010 0.000 2.334 54 L HA 0.737 5.078 4.340 0.002 0.000 0.272 54 L C -0.427 176.472 176.870 0.049 0.000 1.020 54 L CA -1.101 53.742 54.840 0.006 0.000 0.812 54 L CB 1.212 43.263 42.059 -0.014 0.000 1.264 54 L HN 0.179 nan 8.230 nan 0.000 0.439 55 D N 2.022 122.456 120.400 0.057 0.000 2.192 55 D HA 0.557 5.198 4.640 0.002 0.000 0.246 55 D C -0.413 176.014 176.300 0.211 0.000 1.042 55 D CA -0.142 53.952 54.000 0.157 0.000 0.847 55 D CB 1.916 42.835 40.800 0.199 0.000 1.186 55 D HN 0.391 nan 8.370 nan 0.000 0.461 56 I N 0.141 120.889 120.570 0.297 0.000 2.412 56 I HA 0.558 4.729 4.170 0.002 0.000 0.296 56 I C -0.579 175.812 176.117 0.456 0.000 0.987 56 I CA -0.650 60.831 61.300 0.302 0.000 1.180 56 I CB 0.536 38.649 38.000 0.187 0.000 1.340 56 I HN 0.235 nan 8.210 nan 0.000 0.455 57 F N 3.832 123.810 119.950 0.046 0.000 2.574 57 F HA 0.603 5.131 4.527 0.002 0.000 0.313 57 F C -0.582 175.163 175.800 -0.092 0.000 1.130 57 F CA -0.810 57.170 58.000 -0.033 0.000 0.936 57 F CB 2.523 41.497 39.000 -0.042 0.000 1.219 57 F HN 0.183 nan 8.300 nan 0.000 0.445 58 V N 3.232 123.070 119.914 -0.128 0.000 2.525 58 V HA 0.501 4.622 4.120 0.002 0.000 0.299 58 V C -0.794 175.164 176.094 -0.227 0.000 1.034 58 V CA -0.789 61.455 62.300 -0.094 0.000 0.863 58 V CB 1.507 33.327 31.823 -0.005 0.000 0.999 58 V HN 0.672 nan 8.190 nan 0.000 0.423 59 H N 2.368 121.522 119.070 0.140 0.000 2.731 59 H HA 0.431 4.989 4.556 0.002 0.000 0.368 59 H C -0.670 174.735 175.328 0.127 0.000 1.168 59 H CA -0.676 55.443 56.048 0.118 0.000 1.181 59 H CB 2.334 32.170 29.762 0.125 0.000 1.743 59 H HN 0.905 nan 8.280 nan 0.000 0.547 60 D N 0.921 121.470 120.400 0.248 0.000 2.382 60 D HA 0.000 4.641 4.640 0.002 0.000 0.240 60 D C -0.448 175.984 176.300 0.221 0.000 1.146 60 D CA 0.028 54.146 54.000 0.198 0.000 0.897 60 D CB 1.132 42.013 40.800 0.136 0.000 1.197 60 D HN 0.156 nan 8.370 nan 0.000 0.432 61 F N 1.306 121.313 119.950 0.094 0.000 2.458 61 F HA 0.283 4.811 4.527 0.002 0.000 0.330 61 F C -1.528 174.281 175.800 0.015 0.000 1.082 61 F CA -2.130 55.911 58.000 0.069 0.000 0.995 61 F CB 2.076 41.142 39.000 0.109 0.000 1.170 61 F HN 0.169 nan 8.300 nan 0.000 0.478 62 P HA 0.093 nan 4.420 nan 0.000 0.252 62 P C 0.632 177.599 177.300 -0.555 0.000 1.218 62 P CA 0.577 62.958 63.100 -1.198 0.000 0.807 62 P CB 0.232 31.335 31.700 -0.995 0.000 1.072 63 R N 1.698 122.045 120.500 -0.254 0.000 2.280 63 R HA -0.025 4.316 4.340 0.002 0.000 0.207 63 R C 0.950 177.173 176.300 -0.128 0.000 1.043 63 R CA 0.570 56.575 56.100 -0.158 0.000 1.006 63 R CB -0.751 29.498 30.300 -0.084 0.000 0.885 63 R HN 0.266 nan 8.270 nan 0.000 0.467 64 K N 0.565 120.902 120.400 -0.105 0.000 3.177 64 K HA -0.330 3.992 4.320 0.002 0.000 0.266 64 K C 0.136 176.654 176.600 -0.137 0.000 0.937 64 K CA 1.347 57.571 56.287 -0.105 0.000 0.702 64 K CB -1.550 30.838 32.500 -0.187 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 -0.040 0.000 2.049 65 Q HA -0.075 4.267 4.340 0.002 0.000 0.198 65 Q C 0.283 176.290 176.000 0.012 0.000 0.971 65 Q CA 1.799 57.587 55.803 -0.024 0.000 0.833 65 Q CB 0.042 28.781 28.738 0.001 0.000 0.896 65 Q HN 0.782 nan 8.270 nan 0.000 0.434 66 K N -0.183 120.271 120.400 0.091 0.000 2.435 66 K HA 0.445 4.767 4.320 0.002 0.000 0.251 66 K C -1.054 175.710 176.600 0.272 0.000 0.954 66 K CA -0.660 55.705 56.287 0.130 0.000 0.820 66 K CB 1.703 34.247 32.500 0.073 0.000 1.292 66 K HN -0.354 nan 8.250 nan 0.000 0.436 67 T N 3.532 118.194 114.554 0.181 0.000 2.978 67 T HA 0.061 4.412 4.350 0.002 0.000 0.278 67 T C 1.099 175.758 174.700 -0.069 0.000 0.945 67 T CA -0.400 61.714 62.100 0.024 0.000 1.070 67 T CB -0.156 68.668 68.868 -0.074 0.000 0.948 67 T HN 0.348 nan 8.240 nan 0.000 0.617 68 L N 2.215 123.409 121.223 -0.049 0.000 2.056 68 L HA 0.303 4.644 4.340 0.002 0.000 0.207 68 L C 0.546 177.435 176.870 0.032 0.000 1.078 68 L CA 1.365 56.206 54.840 0.002 0.000 0.749 68 L CB -0.848 41.234 42.059 0.039 0.000 0.901 68 L HN 0.593 nan 8.230 nan 0.000 0.433 69 F N -0.685 119.155 119.950 -0.184 0.000 2.604 69 F HA 0.483 5.011 4.527 0.002 0.000 0.316 69 F C -0.489 175.152 175.800 -0.264 0.000 1.136 69 F CA -0.740 57.157 58.000 -0.172 0.000 0.989 69 F CB 1.262 40.199 39.000 -0.105 0.000 1.258 69 F HN -0.057 nan 8.300 nan 0.000 0.451 70 Q N 4.749 124.255 119.800 -0.490 0.000 2.331 70 Q HA 0.678 5.019 4.340 0.002 0.000 0.272 70 Q C -1.782 174.020 176.000 -0.330 0.000 1.062 70 Q CA -0.398 55.188 55.803 -0.362 0.000 0.806 70 Q CB 2.682 31.076 28.738 -0.573 0.000 1.312 70 Q HN 0.846 nan 8.270 nan 0.000 0.431 71 T N 1.584 116.178 114.554 0.066 0.000 2.749 71 T HA 0.457 4.808 4.350 0.002 0.000 0.310 71 T C -1.945 172.847 174.700 0.152 0.000 1.496 71 T CA -0.625 61.532 62.100 0.094 0.000 1.006 71 T CB 1.647 70.656 68.868 0.235 0.000 1.457 71 T HN 0.639 nan 8.240 nan 0.000 0.497 72 R N 1.303 121.868 120.500 0.107 0.000 2.711 72 R HA 0.863 5.204 4.340 0.002 0.000 0.284 72 R C -1.796 174.553 176.300 0.083 0.000 0.968 72 R CA -0.511 55.647 56.100 0.097 0.000 0.924 72 R CB 1.426 31.768 30.300 0.070 0.000 1.162 72 R HN 0.437 nan 8.270 nan 0.000 0.465 73 V N 2.338 122.294 119.914 0.071 0.000 2.971 73 V HA 0.275 4.396 4.120 0.002 0.000 0.309 73 V C -1.230 174.888 176.094 0.039 0.000 1.130 73 V CA -1.069 61.264 62.300 0.055 0.000 0.964 73 V CB 2.408 34.265 31.823 0.058 0.000 1.029 73 V HN 0.858 nan 8.190 nan 0.000 0.427 74 D N 2.755 123.174 120.400 0.032 0.000 2.294 74 D HA 0.703 5.344 4.640 0.002 0.000 0.250 74 D C -0.280 176.033 176.300 0.021 0.000 1.058 74 D CA -0.426 53.588 54.000 0.024 0.000 0.950 74 D CB 1.437 42.249 40.800 0.021 0.000 1.158 74 D HN 0.556 nan 8.370 nan 0.000 0.453 75 M N 2.129 121.740 119.600 0.018 0.000 2.206 75 M HA 0.254 4.735 4.480 0.002 0.000 0.272 75 M C -2.160 174.148 176.300 0.014 0.000 1.012 75 M CA -0.627 54.682 55.300 0.016 0.000 0.986 75 M CB 1.271 33.883 32.600 0.020 0.000 1.740 75 M HN 0.591 nan 8.290 nan 0.000 0.472 76 N N 5.431 124.135 118.700 0.007 0.000 2.469 76 N HA 0.646 5.388 4.740 0.002 0.000 0.286 76 N C -2.745 172.764 175.510 -0.002 0.000 1.275 76 N CA -1.490 51.564 53.050 0.006 0.000 0.790 76 N CB 1.078 39.569 38.487 0.007 0.000 1.446 76 N HN 0.288 nan 8.380 nan 0.000 0.501 77 P HA -0.125 nan 4.420 nan 0.000 0.218 77 P C 1.150 178.440 177.300 -0.017 0.000 1.148 77 P CA 1.827 64.923 63.100 -0.006 0.000 0.822 77 P CB -0.044 31.658 31.700 0.003 0.000 0.784 78 A N 1.043 123.857 122.820 -0.011 0.000 1.841 78 A HA -0.070 4.251 4.320 0.002 0.000 0.216 78 A C 2.447 180.016 177.584 -0.025 0.000 1.199 78 A CA 1.982 54.011 52.037 -0.014 0.000 0.621 78 A CB -2.015 16.982 19.000 -0.006 0.000 0.835 78 A HN 0.295 nan 8.150 nan 0.000 0.445 79 G N -1.496 107.290 108.800 -0.023 0.000 3.079 79 G HA2 0.330 4.292 3.960 0.002 0.000 0.205 79 G HA3 0.330 4.292 3.960 0.002 0.000 0.205 79 G C 1.241 176.104 174.900 -0.061 0.000 1.203 79 G CA 0.663 45.745 45.100 -0.030 0.000 0.929 79 G HN 1.751 nan 8.290 nan 0.000 0.498 80 G N -0.889 107.861 108.800 -0.083 0.000 2.196 80 G HA2 -0.298 3.663 3.960 0.002 0.000 0.268 80 G HA3 -0.298 3.663 3.960 0.002 0.000 0.268 80 G C 0.789 175.575 174.900 -0.190 0.000 0.975 80 G CA 0.522 45.528 45.100 -0.157 0.000 0.648 80 G HN 1.007 nan 8.290 nan 0.000 0.538 81 M N -1.944 117.591 119.600 -0.110 0.000 2.665 81 M HA -0.095 4.386 4.480 0.002 0.000 0.217 81 M C 0.126 176.371 176.300 -0.092 0.000 0.487 81 M CA 1.618 56.867 55.300 -0.085 0.000 0.657 81 M CB -2.309 30.240 32.600 -0.085 0.000 2.412 81 M HN 1.730 nan 8.290 nan 0.000 0.767 82 L N -2.024 119.163 121.223 -0.060 0.000 2.892 82 L HA 1.048 5.389 4.340 0.002 0.000 0.269 82 L C -1.155 175.714 176.870 -0.001 0.000 1.058 82 L CA -1.056 53.766 54.840 -0.030 0.000 0.923 82 L CB 2.455 44.485 42.059 -0.049 0.000 1.518 82 L HN 0.244 nan 8.230 nan 0.000 0.402 83 V N -2.331 117.596 119.914 0.022 0.000 3.048 83 V HA 0.637 4.758 4.120 0.002 0.000 0.303 83 V C -0.021 176.097 176.094 0.039 0.000 1.214 83 V CA 0.301 62.618 62.300 0.029 0.000 0.984 83 V CB 1.409 33.251 31.823 0.032 0.000 1.054 83 V HN 0.952 nan 8.190 nan 0.000 0.430 84 T N -0.143 114.434 114.554 0.037 0.000 3.243 84 T HA 0.517 4.869 4.350 0.002 0.000 0.245 84 T C -2.301 172.419 174.700 0.035 0.000 1.263 84 T CA -1.487 60.637 62.100 0.041 0.000 1.228 84 T CB -0.098 68.797 68.868 0.044 0.000 1.097 84 T HN 0.615 nan 8.240 nan 0.000 0.628 85 P HA 0.238 nan 4.420 nan 0.000 0.268 85 P C -0.277 177.011 177.300 -0.020 0.000 1.205 85 P CA -0.022 63.087 63.100 0.016 0.000 0.771 85 P CB 0.486 32.195 31.700 0.015 0.000 0.858 86 T N 2.856 117.396 114.554 -0.024 0.000 2.874 86 T HA 0.519 4.870 4.350 0.002 0.000 0.321 86 T C 0.417 174.997 174.700 -0.200 0.000 1.075 86 T CA -0.577 61.485 62.100 -0.063 0.000 0.966 86 T CB -0.412 68.460 68.868 0.007 0.000 1.001 86 T HN 0.097 nan 8.240 nan 0.000 0.476 87 I N 0.399 120.708 120.570 -0.435 0.000 2.970 87 I HA 0.668 4.840 4.170 0.002 0.000 0.310 87 I C 0.427 176.241 176.117 -0.505 0.000 1.010 87 I CA -0.932 59.750 61.300 -1.031 0.000 1.228 87 I CB 0.490 37.928 38.000 -0.937 0.000 1.433 87 I HN 0.567 nan 8.210 nan 0.000 0.573 88 E N 2.515 122.482 120.200 -0.389 0.000 2.551 88 E HA 0.452 4.803 4.350 0.002 0.000 0.321 88 E C -1.468 175.225 176.600 0.156 0.000 0.975 88 E CA -0.293 56.127 56.400 0.035 0.000 0.784 88 E CB 0.864 30.666 29.700 0.169 0.000 1.493 88 E HN 0.585 nan 8.360 nan 0.000 0.385 89 I N 4.707 125.300 120.570 0.039 0.000 2.529 89 I HA 0.305 4.476 4.170 0.002 0.000 0.284 89 I C -2.080 174.058 176.117 0.035 0.000 1.082 89 I CA -1.883 59.446 61.300 0.048 0.000 1.406 89 I CB 0.584 38.580 38.000 -0.008 0.000 1.405 89 I HN 0.307 nan 8.210 nan 0.000 0.548 90 P HA 0.269 nan 4.420 nan 0.000 0.300 90 P C -0.119 177.199 177.300 0.029 0.000 1.326 90 P CA -0.589 62.528 63.100 0.029 0.000 0.844 90 P CB 1.798 33.515 31.700 0.028 0.000 0.992 91 A N 3.374 126.214 122.820 0.035 0.000 2.167 91 A HA -0.081 4.241 4.320 0.002 0.000 0.214 91 A C 1.837 179.469 177.584 0.081 0.000 1.151 91 A CA 0.978 53.061 52.037 0.076 0.000 0.735 91 A CB -0.813 18.255 19.000 0.115 0.000 0.802 91 A HN 0.452 nan 8.150 nan 0.000 0.467 92 K N -0.232 120.194 120.400 0.044 0.000 2.280 92 K HA -0.107 4.214 4.320 0.002 0.000 0.202 92 K C 0.999 177.620 176.600 0.035 0.000 1.047 92 K CA 1.157 57.460 56.287 0.027 0.000 0.942 92 K CB 0.072 32.576 32.500 0.006 0.000 0.739 92 K HN 0.413 nan 8.250 nan 0.000 0.457 93 E N 0.142 120.368 120.200 0.044 0.000 2.472 93 E HA 0.020 4.371 4.350 0.002 0.000 0.196 93 E C -0.188 176.455 176.600 0.071 0.000 1.033 93 E CA 0.176 56.605 56.400 0.047 0.000 0.886 93 E CB 0.693 30.415 29.700 0.036 0.000 0.944 93 E HN -0.046 nan 8.360 nan 0.000 0.492 94 V N 2.898 122.870 119.914 0.097 0.000 2.408 94 V HA 0.031 4.152 4.120 0.002 0.000 0.267 94 V C 1.387 177.587 176.094 0.178 0.000 1.047 94 V CA 0.166 62.554 62.300 0.147 0.000 0.937 94 V CB 1.078 33.012 31.823 0.186 0.000 0.999 94 V HN 0.126 nan 8.190 nan 0.000 0.472 95 S N 2.002 117.790 115.700 0.147 0.000 2.548 95 S HA 0.032 4.503 4.470 0.002 0.000 0.215 95 S C 0.833 175.512 174.600 0.131 0.000 0.976 95 S CA -0.220 58.053 58.200 0.123 0.000 0.908 95 S CB -0.175 63.079 63.200 0.091 0.000 0.781 95 S HN 0.669 nan 8.310 nan 0.000 0.519 96 T N 3.060 117.720 114.554 0.176 0.000 2.860 96 T HA 0.242 4.593 4.350 0.002 0.000 0.299 96 T C -0.226 174.509 174.700 0.059 0.000 1.045 96 T CA -0.216 61.976 62.100 0.152 0.000 1.071 96 T CB 0.533 69.539 68.868 0.229 0.000 0.985 96 T HN 0.228 nan 8.240 nan 0.000 0.537 97 D N 0.168 120.568 120.400 0.000 0.000 2.387 97 D HA 0.160 4.802 4.640 0.002 0.000 0.251 97 D C 1.165 177.352 176.300 -0.188 0.000 1.141 97 D CA -0.465 53.471 54.000 -0.105 0.000 0.987 97 D CB 1.079 41.858 40.800 -0.034 0.000 1.116 97 D HN 0.490 nan 8.370 nan 0.000 0.491 98 S N 0.887 116.427 115.700 -0.268 0.000 2.660 98 S HA -0.077 4.394 4.470 0.002 0.000 0.228 98 S C 1.431 176.018 174.600 -0.021 0.000 0.966 98 S CA 0.147 58.226 58.200 -0.201 0.000 0.940 98 S CB 0.027 63.120 63.200 -0.178 0.000 0.773 98 S HN 0.301 nan 8.310 nan 0.000 0.535 99 R N 1.687 122.184 120.500 -0.005 0.000 2.307 99 R HA 0.260 4.601 4.340 0.002 0.000 0.199 99 R C 0.540 176.873 176.300 0.055 0.000 1.000 99 R CA 0.443 56.558 56.100 0.025 0.000 1.023 99 R CB -0.192 30.117 30.300 0.015 0.000 0.908 99 R HN 0.807 nan 8.270 nan 0.000 0.473 100 Q N -1.016 118.836 119.800 0.088 0.000 2.527 100 Q HA 0.241 4.583 4.340 0.002 0.000 0.280 100 Q C -1.687 174.415 176.000 0.170 0.000 0.977 100 Q CA -0.857 55.011 55.803 0.109 0.000 0.837 100 Q CB 0.779 29.565 28.738 0.079 0.000 1.454 100 Q HN -0.083 nan 8.270 nan 0.000 0.387 101 N N 2.913 121.720 118.700 0.179 0.000 2.416 101 N HA 0.114 4.855 4.740 0.002 0.000 0.265 101 N C -1.171 174.505 175.510 0.277 0.000 1.195 101 N CA 0.189 53.397 53.050 0.263 0.000 0.943 101 N CB 1.156 39.831 38.487 0.313 0.000 1.115 101 N HN 0.495 nan 8.380 nan 0.000 0.481 102 Q N 2.072 122.054 119.800 0.303 0.000 2.282 102 Q HA 0.394 4.735 4.340 0.002 0.000 0.260 102 Q C -1.188 175.075 176.000 0.438 0.000 0.964 102 Q CA -0.522 55.440 55.803 0.264 0.000 0.880 102 Q CB 1.215 30.081 28.738 0.212 0.000 1.286 102 Q HN 0.500 nan 8.270 nan 0.000 0.445 103 Y N 1.342 121.672 120.300 0.050 0.000 2.487 103 Y HA 0.695 5.247 4.550 0.002 0.000 0.337 103 Y C -0.232 175.711 175.900 0.071 0.000 1.076 103 Y CA -1.412 56.678 58.100 -0.016 0.000 1.115 103 Y CB 1.873 40.231 38.460 -0.171 0.000 1.235 103 Y HN 0.381 nan 8.280 nan 0.000 0.468 104 V N 2.363 122.383 119.914 0.178 0.000 3.204 104 V HA 0.718 4.839 4.120 0.002 0.000 0.316 104 V C -1.153 175.040 176.094 0.164 0.000 1.160 104 V CA -0.744 61.662 62.300 0.177 0.000 1.044 104 V CB 2.283 34.156 31.823 0.083 0.000 1.136 104 V HN 0.531 nan 8.190 nan 0.000 0.455 105 V N 1.605 121.637 119.914 0.197 0.000 2.623 105 V HA 0.700 4.821 4.120 0.002 0.000 0.304 105 V C -0.595 175.584 176.094 0.141 0.000 1.054 105 V CA -0.734 61.682 62.300 0.194 0.000 0.882 105 V CB 0.983 33.015 31.823 0.349 0.000 1.002 105 V HN 0.658 nan 8.190 nan 0.000 0.424 106 V N 2.736 122.704 119.914 0.090 0.000 2.743 106 V HA 0.716 4.837 4.120 0.002 0.000 0.301 106 V C -0.131 176.022 176.094 0.098 0.000 1.057 106 V CA -0.427 61.915 62.300 0.071 0.000 1.006 106 V CB 1.380 33.219 31.823 0.027 0.000 1.024 106 V HN 1.059 nan 8.190 nan 0.000 0.473 107 Q N 1.092 120.958 119.800 0.110 0.000 2.327 107 Q HA 0.615 4.956 4.340 0.002 0.000 0.265 107 Q C -1.997 174.055 176.000 0.086 0.000 0.993 107 Q CA -0.418 55.445 55.803 0.101 0.000 0.885 107 Q CB 2.635 31.459 28.738 0.143 0.000 1.379 107 Q HN 0.718 nan 8.270 nan 0.000 0.408 108 V N 1.384 121.315 119.914 0.030 0.000 2.604 108 V HA 0.802 4.923 4.120 0.002 0.000 0.305 108 V C -0.203 175.856 176.094 -0.058 0.000 1.043 108 V CA -0.621 61.684 62.300 0.009 0.000 0.888 108 V CB 1.534 33.363 31.823 0.009 0.000 0.995 108 V HN 0.898 nan 8.190 nan 0.000 0.429 109 T N 0.265 114.765 114.554 -0.090 0.000 2.896 109 T HA 0.998 5.349 4.350 0.002 0.000 0.297 109 T C -0.058 174.578 174.700 -0.108 0.000 1.108 109 T CA -0.133 61.891 62.100 -0.128 0.000 1.004 109 T CB 2.174 70.928 68.868 -0.189 0.000 1.159 109 T HN 1.698 nan 8.240 nan 0.000 0.499 110 G N 0.564 109.295 108.800 -0.116 0.000 2.368 110 G HA2 0.461 4.422 3.960 0.002 0.000 0.269 110 G HA3 0.461 4.422 3.960 0.002 0.000 0.269 110 G C -3.203 171.635 174.900 -0.103 0.000 1.291 110 G CA -0.949 44.095 45.100 -0.094 0.000 0.903 110 G HN 0.731 nan 8.290 nan 0.000 0.483 111 P HA 0.199 nan 4.420 nan 0.000 0.253 111 P C 0.342 177.585 177.300 -0.095 0.000 1.170 111 P CA 1.141 64.203 63.100 -0.064 0.000 0.806 111 P CB 0.287 31.965 31.700 -0.037 0.000 0.775 112 Q N -0.999 118.759 119.800 -0.070 0.000 2.284 112 Q HA -0.207 4.134 4.340 0.002 0.000 0.205 112 Q C -0.339 175.564 176.000 -0.161 0.000 0.682 112 Q CA 0.921 56.691 55.803 -0.055 0.000 1.401 112 Q CB -1.194 27.564 28.738 0.033 0.000 1.643 112 Q HN 0.346 nan 8.270 nan 0.000 0.717 113 V N -0.259 119.492 119.914 -0.272 0.000 3.007 113 V HA 0.840 4.961 4.120 0.002 0.000 0.311 113 V C -0.458 175.503 176.094 -0.222 0.000 1.120 113 V CA -0.739 61.323 62.300 -0.397 0.000 0.980 113 V CB 2.189 33.495 31.823 -0.862 0.000 1.033 113 V HN 0.356 nan 8.190 nan 0.000 0.429 114 R N 2.573 122.976 120.500 -0.161 0.000 2.604 114 R HA 0.836 5.178 4.340 0.002 0.000 0.261 114 R C -2.225 174.048 176.300 -0.045 0.000 1.080 114 R CA -0.649 55.394 56.100 -0.096 0.000 0.917 114 R CB 1.231 31.486 30.300 -0.075 0.000 1.252 114 R HN 0.597 nan 8.270 nan 0.000 0.456 115 L N 0.999 122.208 121.223 -0.022 0.000 2.424 115 L HA 0.651 4.992 4.340 0.002 0.000 0.258 115 L C -0.933 175.952 176.870 0.024 0.000 0.995 115 L CA -0.886 53.962 54.840 0.013 0.000 0.821 115 L CB 2.746 44.823 42.059 0.030 0.000 1.383 115 L HN 0.839 nan 8.230 nan 0.000 0.410 116 E N 2.005 122.226 120.200 0.035 0.000 2.291 116 E HA 0.448 4.799 4.350 0.002 0.000 0.276 116 E C -1.673 174.956 176.600 0.049 0.000 0.896 116 E CA -0.704 55.728 56.400 0.052 0.000 0.774 116 E CB 2.537 32.273 29.700 0.060 0.000 1.227 116 E HN 0.317 nan 8.360 nan 0.000 0.413 117 K N 3.113 123.544 120.400 0.052 0.000 2.615 117 K HA 0.275 4.596 4.320 0.002 0.000 0.249 117 K C -1.915 174.693 176.600 0.013 0.000 0.977 117 K CA -0.628 55.673 56.287 0.024 0.000 0.833 117 K CB 1.970 34.472 32.500 0.003 0.000 1.208 117 K HN 0.261 nan 8.250 nan 0.000 0.443 118 V N 6.153 126.057 119.914 -0.017 0.000 2.455 118 V HA 0.628 4.749 4.120 0.002 0.000 0.273 118 V C -0.755 175.236 176.094 -0.170 0.000 1.045 118 V CA 0.057 62.300 62.300 -0.095 0.000 0.976 118 V CB 0.578 32.255 31.823 -0.242 0.000 0.993 118 V HN 0.521 nan 8.190 nan 0.000 0.475 119 V N 6.516 126.322 119.914 -0.180 0.000 3.102 119 V HA 0.589 4.710 4.120 0.002 0.000 0.312 119 V C -0.480 175.403 176.094 -0.353 0.000 1.135 119 V CA -1.127 61.015 62.300 -0.263 0.000 1.022 119 V CB 1.706 33.417 31.823 -0.187 0.000 1.056 119 V HN 0.712 nan 8.190 nan 0.000 0.436 120 L N 1.758 122.718 121.223 -0.438 0.000 2.379 120 L HA 0.649 4.991 4.340 0.002 0.000 0.269 120 L C -0.617 176.090 176.870 -0.271 0.000 1.084 120 L CA -0.411 54.158 54.840 -0.451 0.000 0.802 120 L CB 1.304 43.070 42.059 -0.487 0.000 1.175 120 L HN 0.601 nan 8.230 nan 0.000 0.448 121 L N 2.110 123.215 121.223 -0.195 0.000 2.341 121 L HA 0.476 4.817 4.340 0.002 0.000 0.278 121 L C -0.201 176.550 176.870 -0.198 0.000 1.005 121 L CA 0.111 54.826 54.840 -0.208 0.000 0.818 121 L CB 1.771 43.682 42.059 -0.247 0.000 1.259 121 L HN 0.691 nan 8.230 nan 0.000 0.418 122 S N 2.634 118.245 115.700 -0.148 0.000 2.442 122 S HA 0.330 4.801 4.470 0.002 0.000 0.297 122 S C 0.538 175.071 174.600 -0.111 0.000 1.131 122 S CA -0.309 57.865 58.200 -0.045 0.000 1.092 122 S CB 0.417 63.673 63.200 0.093 0.000 0.998 122 S HN 0.479 nan 8.310 nan 0.000 0.478 123 Y N 2.245 122.561 120.300 0.027 0.000 2.632 123 Y HA 0.100 4.651 4.550 0.002 0.000 0.301 123 Y C 1.824 177.708 175.900 -0.027 0.000 1.172 123 Y CA 0.362 58.469 58.100 0.012 0.000 1.328 123 Y CB -0.033 38.448 38.460 0.034 0.000 1.016 123 Y HN 0.627 nan 8.280 nan 0.000 0.529 124 Q N 0.603 120.446 119.800 0.073 0.000 2.286 124 Q HA -0.083 4.258 4.340 0.002 0.000 0.290 124 Q C 1.196 177.117 176.000 -0.132 0.000 1.049 124 Q CA 0.414 56.196 55.803 -0.035 0.000 0.923 124 Q CB 1.229 29.914 28.738 -0.089 0.000 1.183 124 Q HN 0.338 nan 8.270 nan 0.000 0.383 125 S N 2.203 117.778 115.700 -0.207 0.000 2.384 125 S HA 0.096 4.568 4.470 0.002 0.000 0.217 125 S C 0.582 174.947 174.600 -0.393 0.000 1.041 125 S CA 0.813 58.822 58.200 -0.319 0.000 0.948 125 S CB 0.327 63.232 63.200 -0.492 0.000 0.872 125 S HN 0.702 nan 8.310 nan 0.000 0.512 126 S N -1.801 113.651 115.700 -0.412 0.000 2.979 126 S HA 0.572 5.044 4.470 0.002 0.000 0.302 126 S C -2.477 172.033 174.600 -0.150 0.000 1.250 126 S CA -0.545 57.450 58.200 -0.341 0.000 1.148 126 S CB -0.027 63.130 63.200 -0.071 0.000 1.409 126 S HN 0.174 nan 8.310 nan 0.000 0.517 127 F N 2.271 122.250 119.950 0.049 0.000 2.612 127 F HA 0.583 5.111 4.527 0.002 0.000 0.332 127 F C -0.426 175.182 175.800 -0.320 0.000 1.167 127 F CA -0.891 56.999 58.000 -0.183 0.000 0.970 127 F CB 1.194 40.043 39.000 -0.251 0.000 1.234 127 F HN 0.396 nan 8.300 nan 0.000 0.453 128 L N 3.296 124.417 121.223 -0.169 0.000 2.358 128 L HA 0.618 4.959 4.340 0.002 0.000 0.268 128 L C -1.255 175.290 176.870 -0.543 0.000 1.032 128 L CA -0.838 53.872 54.840 -0.216 0.000 0.805 128 L CB 1.764 43.845 42.059 0.036 0.000 1.253 128 L HN 0.272 nan 8.230 nan 0.000 0.452 129 F N 1.436 121.393 119.950 0.012 0.000 2.651 129 F HA 0.437 4.965 4.527 0.002 0.000 0.329 129 F C -0.405 175.531 175.800 0.226 0.000 1.186 129 F CA -0.887 57.137 58.000 0.040 0.000 1.046 129 F CB 1.360 40.373 39.000 0.022 0.000 1.296 129 F HN 0.128 nan 8.300 nan 0.000 0.497 130 I N 3.582 124.437 120.570 0.476 0.000 2.362 130 I HA 0.430 4.601 4.170 0.002 0.000 0.289 130 I C -0.445 175.786 176.117 0.191 0.000 0.994 130 I CA -0.645 60.778 61.300 0.205 0.000 1.158 130 I CB 1.829 39.849 38.000 0.032 0.000 1.315 130 I HN 0.506 nan 8.210 nan 0.000 0.451 131 Q N 6.028 125.946 119.800 0.196 0.000 2.337 131 Q HA 0.550 4.891 4.340 0.002 0.000 0.266 131 Q C -1.232 174.957 176.000 0.315 0.000 1.023 131 Q CA -0.532 55.423 55.803 0.254 0.000 0.829 131 Q CB 2.445 31.361 28.738 0.296 0.000 1.306 131 Q HN 0.795 nan 8.270 nan 0.000 0.449 132 T N -0.123 114.637 114.554 0.343 0.000 2.885 132 T HA 0.188 4.539 4.350 0.002 0.000 0.285 132 T C 1.015 175.974 174.700 0.432 0.000 1.019 132 T CA -0.384 61.951 62.100 0.392 0.000 1.010 132 T CB 1.249 70.358 68.868 0.402 0.000 1.022 132 T HN 0.714 nan 8.240 nan 0.000 0.466 133 D N 1.574 122.216 120.400 0.405 0.000 2.172 133 D HA -0.206 4.435 4.640 0.002 0.000 0.196 133 D C 0.585 177.051 176.300 0.277 0.000 0.999 133 D CA 1.402 55.690 54.000 0.480 0.000 0.856 133 D CB 0.107 41.033 40.800 0.209 0.000 0.934 133 D HN 0.860 nan 8.370 nan 0.000 0.453 134 K N -3.094 117.429 120.400 0.204 0.000 2.556 134 K HA 0.516 4.838 4.320 0.002 0.000 0.289 134 K C 0.641 177.283 176.600 0.070 0.000 1.040 134 K CA -0.476 55.840 56.287 0.048 0.000 0.894 134 K CB 0.881 33.291 32.500 -0.151 0.000 1.547 134 K HN -0.175 nan 8.250 nan 0.000 0.417 135 G N -0.052 108.771 108.800 0.039 0.000 3.042 135 G HA2 0.256 4.217 3.960 0.002 0.000 0.212 135 G HA3 0.256 4.217 3.960 0.002 0.000 0.212 135 G C -0.376 174.610 174.900 0.144 0.000 1.166 135 G CA 0.461 45.671 45.100 0.183 0.000 0.767 135 G HN 0.404 nan 8.290 nan 0.000 0.546 136 I N -1.174 119.268 120.570 -0.214 0.000 2.775 136 I HA 0.632 4.803 4.170 0.002 0.000 0.295 136 I C -2.226 173.571 176.117 -0.534 0.000 1.287 136 I CA -1.690 59.523 61.300 -0.145 0.000 1.029 136 I CB 1.849 39.814 38.000 -0.060 0.000 1.282 136 I HN -0.014 nan 8.210 nan 0.000 0.426 137 Y N 3.931 124.187 120.300 -0.072 0.000 2.421 137 Y HA 0.482 5.034 4.550 0.002 0.000 0.339 137 Y C 0.087 175.903 175.900 -0.142 0.000 0.996 137 Y CA -0.869 57.132 58.100 -0.164 0.000 1.046 137 Y CB 2.286 40.541 38.460 -0.341 0.000 1.226 137 Y HN 0.437 nan 8.280 nan 0.000 0.445 138 T N 5.953 120.494 114.554 -0.022 0.000 2.829 138 T HA 0.115 4.466 4.350 0.002 0.000 0.293 138 T C -2.455 172.216 174.700 -0.047 0.000 0.970 138 T CA -0.969 61.076 62.100 -0.092 0.000 1.168 138 T CB 0.114 68.930 68.868 -0.088 0.000 0.911 138 T HN 0.207 nan 8.240 nan 0.000 0.535 139 P HA 0.106 nan 4.420 nan 0.000 0.266 139 P C 1.003 178.288 177.300 -0.024 0.000 1.186 139 P CA 0.872 63.967 63.100 -0.009 0.000 0.767 139 P CB 0.174 31.921 31.700 0.079 0.000 0.820 140 G N 0.868 109.614 108.800 -0.090 0.000 2.176 140 G HA2 -0.215 3.746 3.960 0.002 0.000 0.252 140 G HA3 -0.215 3.746 3.960 0.002 0.000 0.252 140 G C 0.343 175.178 174.900 -0.109 0.000 1.024 140 G CA 0.055 45.096 45.100 -0.099 0.000 0.755 140 G HN 0.570 nan 8.290 nan 0.000 0.507 141 S N 0.553 116.170 115.700 -0.139 0.000 2.730 141 S HA 0.799 5.270 4.470 0.002 0.000 0.284 141 S C -2.534 171.924 174.600 -0.236 0.000 1.153 141 S CA -0.925 57.201 58.200 -0.124 0.000 0.995 141 S CB 2.168 65.362 63.200 -0.010 0.000 1.058 141 S HN 0.292 nan 8.310 nan 0.000 0.552 142 P HA 0.388 nan 4.420 nan 0.000 0.301 142 P C -1.400 175.687 177.300 -0.354 0.000 1.420 142 P CA -0.562 62.359 63.100 -0.300 0.000 1.006 142 P CB 1.067 32.636 31.700 -0.219 0.000 0.982 143 V N 5.613 125.193 119.914 -0.557 0.000 2.405 143 V HA 0.123 4.244 4.120 0.002 0.000 0.264 143 V C 0.723 176.569 176.094 -0.414 0.000 1.048 143 V CA -0.142 61.728 62.300 -0.717 0.000 0.966 143 V CB 0.042 31.281 31.823 -0.973 0.000 1.015 143 V HN 0.363 nan 8.190 nan 0.000 0.477 144 L N 5.745 126.676 121.223 -0.486 0.000 2.295 144 L HA 0.833 5.174 4.340 0.002 0.000 0.285 144 L C -0.659 175.785 176.870 -0.710 0.000 1.035 144 L CA -0.720 53.647 54.840 -0.788 0.000 0.806 144 L CB 1.123 42.505 42.059 -1.127 0.000 1.214 144 L HN 0.609 nan 8.230 nan 0.000 0.426 145 Y N 0.531 120.564 120.300 -0.446 0.000 2.576 145 Y HA 0.818 5.370 4.550 0.002 0.000 0.346 145 Y C -0.751 174.951 175.900 -0.330 0.000 1.018 145 Y CA -1.665 56.299 58.100 -0.226 0.000 1.050 145 Y CB 1.387 39.717 38.460 -0.217 0.000 1.280 145 Y HN 0.600 nan 8.280 nan 0.000 0.474 146 R N 1.010 121.598 120.500 0.146 0.000 2.803 146 R HA 0.823 5.165 4.340 0.002 0.000 0.276 146 R C -1.875 174.246 176.300 -0.299 0.000 0.978 146 R CA -1.392 54.565 56.100 -0.239 0.000 0.939 146 R CB 2.763 33.073 30.300 0.017 0.000 1.179 146 R HN 0.663 nan 8.270 nan 0.000 0.472 147 V N 3.748 123.549 119.914 -0.188 0.000 2.525 147 V HA 0.486 4.607 4.120 0.002 0.000 0.299 147 V C -1.351 174.637 176.094 -0.177 0.000 1.034 147 V CA -0.527 61.700 62.300 -0.121 0.000 0.863 147 V CB 1.441 33.251 31.823 -0.021 0.000 0.999 147 V HN 0.523 nan 8.190 nan 0.000 0.423 148 F N 3.121 123.194 119.950 0.205 0.000 2.509 148 F HA 0.835 5.363 4.527 0.002 0.000 0.334 148 F C 0.528 176.392 175.800 0.108 0.000 1.060 148 F CA -0.487 57.612 58.000 0.166 0.000 0.997 148 F CB 2.182 41.321 39.000 0.232 0.000 1.271 148 F HN 0.489 nan 8.300 nan 0.000 0.488 149 S N 1.221 117.128 115.700 0.347 0.000 2.536 149 S HA 0.469 4.941 4.470 0.002 0.000 0.271 149 S C -1.026 173.730 174.600 0.259 0.000 1.134 149 S CA -1.052 57.267 58.200 0.197 0.000 0.897 149 S CB 1.306 64.632 63.200 0.211 0.000 1.094 149 S HN 0.465 nan 8.310 nan 0.000 0.473 150 M N 3.239 122.907 119.600 0.114 0.000 2.869 150 M HA 0.157 4.639 4.480 0.002 0.000 0.299 150 M C 0.075 176.342 176.300 -0.054 0.000 1.508 150 M CA 0.042 55.370 55.300 0.046 0.000 1.551 150 M CB -1.379 31.223 32.600 0.003 0.000 1.384 150 M HN 0.852 nan 8.290 nan 0.000 0.491 151 D N 3.092 123.583 120.400 0.152 0.000 2.583 151 D HA -0.076 4.565 4.640 0.002 0.000 0.232 151 D C -0.313 175.924 176.300 -0.106 0.000 1.128 151 D CA 1.199 55.288 54.000 0.149 0.000 0.859 151 D CB 0.464 41.502 40.800 0.397 0.000 1.169 151 D HN 0.370 nan 8.370 nan 0.000 0.481 152 H N 2.095 121.210 119.070 0.075 0.000 2.569 152 H HA 0.214 4.771 4.556 0.002 0.000 0.357 152 H C -0.092 175.244 175.328 0.012 0.000 1.153 152 H CA -0.886 55.172 56.048 0.017 0.000 1.193 152 H CB 1.364 31.102 29.762 -0.040 0.000 1.602 152 H HN 0.491 nan 8.280 nan 0.000 0.523 153 N N 1.666 120.456 118.700 0.149 0.000 2.406 153 N HA -0.029 4.712 4.740 0.002 0.000 0.274 153 N C -0.010 175.535 175.510 0.060 0.000 1.249 153 N CA -0.222 52.876 53.050 0.081 0.000 0.951 153 N CB 0.163 38.684 38.487 0.056 0.000 1.241 153 N HN 0.518 nan 8.380 nan 0.000 0.485 154 T N -1.706 112.879 114.554 0.053 0.000 2.889 154 T HA 0.386 4.738 4.350 0.002 0.000 0.278 154 T C 0.493 175.215 174.700 0.036 0.000 0.995 154 T CA -0.888 61.233 62.100 0.035 0.000 0.966 154 T CB 1.280 70.166 68.868 0.030 0.000 1.237 154 T HN 0.352 nan 8.240 nan 0.000 0.591 155 S N -0.507 115.213 115.700 0.033 0.000 2.819 155 S HA 0.309 4.780 4.470 0.002 0.000 0.249 155 S C -0.718 173.898 174.600 0.026 0.000 1.030 155 S CA -0.575 57.646 58.200 0.035 0.000 1.052 155 S CB -0.470 62.758 63.200 0.047 0.000 1.017 155 S HN 0.537 nan 8.310 nan 0.000 0.576 156 K N 1.165 121.579 120.400 0.024 0.000 2.561 156 K HA 0.337 4.658 4.320 0.002 0.000 0.254 156 K C -1.423 175.193 176.600 0.026 0.000 0.942 156 K CA -0.302 55.997 56.287 0.020 0.000 0.818 156 K CB 1.538 34.046 32.500 0.014 0.000 1.306 156 K HN 0.148 nan 8.250 nan 0.000 0.435 157 M N 2.770 122.387 119.600 0.028 0.000 2.488 157 M HA 0.235 4.716 4.480 0.002 0.000 0.204 157 M C -1.012 175.309 176.300 0.035 0.000 0.969 157 M CA -0.362 54.960 55.300 0.037 0.000 0.720 157 M CB -0.161 32.461 32.600 0.037 0.000 1.427 157 M HN 0.447 nan 8.290 nan 0.000 0.427 158 N N 1.736 120.461 118.700 0.042 0.000 2.500 158 N HA 0.173 4.914 4.740 0.002 0.000 0.236 158 N C -0.495 175.059 175.510 0.073 0.000 1.022 158 N CA -0.246 52.831 53.050 0.045 0.000 0.935 158 N CB 1.178 39.687 38.487 0.038 0.000 1.147 158 N HN 0.205 nan 8.380 nan 0.000 0.512 159 K N 2.136 122.573 120.400 0.061 0.000 2.262 159 K HA 0.123 4.445 4.320 0.002 0.000 0.288 159 K C -0.352 176.282 176.600 0.057 0.000 1.090 159 K CA -0.072 56.260 56.287 0.075 0.000 0.918 159 K CB 0.131 32.648 32.500 0.028 0.000 1.139 159 K HN 0.484 nan 8.250 nan 0.000 0.462 160 T N -0.958 113.653 114.554 0.095 0.000 2.937 160 T HA 0.491 4.842 4.350 0.002 0.000 0.297 160 T C -0.359 174.351 174.700 0.018 0.000 0.991 160 T CA -0.849 61.292 62.100 0.069 0.000 0.990 160 T CB 1.166 70.099 68.868 0.108 0.000 0.991 160 T HN 0.065 nan 8.240 nan 0.000 0.440 161 V N 3.803 123.693 119.914 -0.041 0.000 2.769 161 V HA 0.616 4.737 4.120 0.002 0.000 0.312 161 V C -0.163 175.922 176.094 -0.015 0.000 1.061 161 V CA -1.197 61.029 62.300 -0.123 0.000 0.931 161 V CB 2.119 33.827 31.823 -0.191 0.000 1.010 161 V HN 1.036 nan 8.190 nan 0.000 0.433 162 I N 3.133 123.689 120.570 -0.023 0.000 2.359 162 I HA 0.609 4.780 4.170 0.002 0.000 0.294 162 I C -1.025 175.083 176.117 -0.016 0.000 0.987 162 I CA -0.459 60.851 61.300 0.017 0.000 1.225 162 I CB 1.545 39.555 38.000 0.016 0.000 1.366 162 I HN 0.462 nan 8.210 nan 0.000 0.466 163 V N 6.769 126.695 119.914 0.020 0.000 2.604 163 V HA 0.542 4.664 4.120 0.002 0.000 0.305 163 V C -0.394 175.710 176.094 0.016 0.000 1.043 163 V CA -0.720 61.552 62.300 -0.047 0.000 0.888 163 V CB 1.821 33.599 31.823 -0.075 0.000 0.995 163 V HN 0.692 nan 8.190 nan 0.000 0.429 164 E N 2.051 122.200 120.200 -0.085 0.000 2.343 164 E HA 0.618 4.969 4.350 0.002 0.000 0.270 164 E C -1.970 174.553 176.600 -0.128 0.000 0.895 164 E CA -0.649 55.744 56.400 -0.012 0.000 0.767 164 E CB 3.005 32.685 29.700 -0.035 0.000 1.248 164 E HN 0.544 nan 8.360 nan 0.000 0.440 165 F N 1.659 121.563 119.950 -0.077 0.000 2.496 165 F HA 0.273 4.801 4.527 0.002 0.000 0.341 165 F C -0.306 175.442 175.800 -0.086 0.000 1.134 165 F CA -0.474 57.488 58.000 -0.064 0.000 0.968 165 F CB 1.724 40.629 39.000 -0.158 0.000 1.205 165 F HN 0.172 nan 8.300 nan 0.000 0.436 166 Q N 1.619 121.414 119.800 -0.009 0.000 2.337 166 Q HA 0.398 4.739 4.340 0.002 0.000 0.266 166 Q C -0.045 175.701 176.000 -0.424 0.000 1.023 166 Q CA -1.046 54.660 55.803 -0.162 0.000 0.829 166 Q CB 2.364 31.005 28.738 -0.161 0.000 1.306 166 Q HN 0.623 nan 8.270 nan 0.000 0.449 167 T N 0.540 114.646 114.554 -0.746 0.000 2.900 167 T HA 0.117 4.469 4.350 0.002 0.000 0.307 167 T C -1.733 172.549 174.700 -0.697 0.000 1.065 167 T CA -1.333 59.987 62.100 -1.299 0.000 1.105 167 T CB 0.440 68.761 68.868 -0.911 0.000 0.979 167 T HN 0.275 nan 8.240 nan 0.000 0.544 168 P HA -0.071 nan 4.420 nan 0.000 0.216 168 P C 1.281 178.453 177.300 -0.213 0.000 1.150 168 P CA 1.263 64.183 63.100 -0.301 0.000 0.837 168 P CB 0.047 31.654 31.700 -0.155 0.000 0.786 169 E N -1.539 118.542 120.200 -0.198 0.000 2.097 169 E HA -0.119 4.232 4.350 0.002 0.000 0.196 169 E C 1.610 178.131 176.600 -0.132 0.000 1.000 169 E CA 1.465 57.787 56.400 -0.128 0.000 0.804 169 E CB -0.496 29.143 29.700 -0.103 0.000 0.740 169 E HN 0.348 nan 8.360 nan 0.000 0.454 170 G N 0.002 108.698 108.800 -0.172 0.000 2.935 170 G HA2 -0.113 3.848 3.960 0.002 0.000 0.213 170 G HA3 -0.113 3.848 3.960 0.002 0.000 0.213 170 G C 0.206 175.023 174.900 -0.138 0.000 0.984 170 G CA -0.245 44.770 45.100 -0.142 0.000 0.790 170 G HN 0.090 nan 8.290 nan 0.000 0.538 171 I N 1.947 122.425 120.570 -0.153 0.000 2.638 171 I HA 0.506 4.677 4.170 0.002 0.000 0.286 171 I C 0.532 176.581 176.117 -0.114 0.000 1.088 171 I CA -0.865 60.366 61.300 -0.114 0.000 1.397 171 I CB 1.034 38.979 38.000 -0.092 0.000 1.414 171 I HN 0.059 nan 8.210 nan 0.000 0.566 172 L N 6.860 128.047 121.223 -0.060 0.000 2.305 172 L HA 0.294 4.636 4.340 0.002 0.000 0.281 172 L C 0.227 177.101 176.870 0.006 0.000 1.085 172 L CA 0.395 55.218 54.840 -0.029 0.000 0.813 172 L CB 1.263 43.314 42.059 -0.013 0.000 1.157 172 L HN 0.529 nan 8.230 nan 0.000 0.436 173 V N 2.758 122.690 119.914 0.030 0.000 3.382 173 V HA 0.410 4.531 4.120 0.002 0.000 0.296 173 V C 0.187 176.298 176.094 0.029 0.000 1.529 173 V CA 0.387 62.727 62.300 0.067 0.000 1.048 173 V CB -0.060 31.845 31.823 0.137 0.000 0.878 173 V HN 0.828 nan 8.190 nan 0.000 0.442 174 S N 0.102 115.827 115.700 0.041 0.000 2.604 174 S HA 0.550 5.021 4.470 0.002 0.000 0.296 174 S C -1.251 173.439 174.600 0.150 0.000 1.097 174 S CA 0.286 58.524 58.200 0.064 0.000 0.883 174 S CB 1.778 64.929 63.200 -0.083 0.000 1.081 174 S HN 0.635 nan 8.310 nan 0.000 0.448 175 S N 3.365 119.154 115.700 0.149 0.000 2.626 175 S HA 0.762 5.233 4.470 0.002 0.000 0.275 175 S C -1.373 173.325 174.600 0.164 0.000 1.175 175 S CA -0.603 57.682 58.200 0.142 0.000 0.982 175 S CB 0.347 63.593 63.200 0.077 0.000 1.093 175 S HN 0.855 nan 8.310 nan 0.000 0.472 176 N N 1.149 119.978 118.700 0.215 0.000 2.708 176 N HA 0.564 5.305 4.740 0.002 0.000 0.257 176 N C -1.745 173.913 175.510 0.247 0.000 1.373 176 N CA -1.245 51.962 53.050 0.261 0.000 0.843 176 N CB 1.676 40.424 38.487 0.434 0.000 1.503 176 N HN 0.513 nan 8.380 nan 0.000 0.504 177 S N -0.318 115.527 115.700 0.242 0.000 2.461 177 S HA 0.573 5.044 4.470 0.002 0.000 0.322 177 S C -0.248 174.480 174.600 0.214 0.000 1.063 177 S CA -0.831 57.479 58.200 0.184 0.000 1.120 177 S CB 0.231 63.514 63.200 0.139 0.000 0.968 177 S HN 0.620 nan 8.310 nan 0.000 0.467 178 V N 0.321 120.328 119.914 0.155 0.000 2.495 178 V HA 0.583 4.704 4.120 0.002 0.000 0.298 178 V C -0.155 175.938 176.094 -0.000 0.000 1.031 178 V CA -0.956 61.412 62.300 0.113 0.000 0.871 178 V CB 1.586 33.474 31.823 0.110 0.000 0.988 178 V HN 0.895 nan 8.190 nan 0.000 0.432 179 D N 4.582 124.963 120.400 -0.031 0.000 2.372 179 D HA 0.127 4.769 4.640 0.002 0.000 0.243 179 D C 0.593 176.744 176.300 -0.248 0.000 1.121 179 D CA -0.381 53.558 54.000 -0.102 0.000 0.898 179 D CB 1.917 42.666 40.800 -0.085 0.000 1.202 179 D HN 0.655 nan 8.370 nan 0.000 0.428 180 L N 1.805 122.870 121.223 -0.264 0.000 2.675 180 L HA -0.010 4.332 4.340 0.002 0.000 0.239 180 L C 1.892 178.498 176.870 -0.441 0.000 1.151 180 L CA -0.287 54.312 54.840 -0.402 0.000 0.905 180 L CB -1.042 40.862 42.059 -0.259 0.000 1.057 180 L HN 0.390 nan 8.230 nan 0.000 0.435 181 N N 0.587 119.075 118.700 -0.354 0.000 2.085 181 N HA -0.034 4.707 4.740 0.002 0.000 0.191 181 N C 0.269 175.746 175.510 -0.056 0.000 1.058 181 N CA 1.245 54.144 53.050 -0.252 0.000 0.849 181 N CB 0.220 38.506 38.487 -0.336 0.000 1.038 181 N HN -0.024 nan 8.380 nan 0.000 0.434 182 F N -0.591 119.140 119.950 -0.365 0.000 2.598 182 F HA 0.520 5.048 4.527 0.002 0.000 0.327 182 F C -0.340 175.216 175.800 -0.407 0.000 1.057 182 F CA -1.475 56.374 58.000 -0.253 0.000 0.957 182 F CB 0.939 39.943 39.000 0.007 0.000 1.278 182 F HN -0.010 nan 8.300 nan 0.000 0.484 183 F N -1.241 118.751 119.950 0.070 0.000 2.719 183 F HA 0.521 5.049 4.527 0.002 0.000 0.309 183 F C -1.254 174.355 175.800 -0.319 0.000 1.138 183 F CA -1.963 55.852 58.000 -0.309 0.000 0.943 183 F CB 1.172 39.798 39.000 -0.624 0.000 1.304 183 F HN 0.566 nan 8.300 nan 0.000 0.445 184 W N 0.470 121.830 121.300 0.101 0.000 2.181 184 W HA 0.901 5.562 4.660 0.002 0.000 0.415 184 W C -3.039 173.253 176.519 -0.380 0.000 1.689 184 W CA -1.999 55.281 57.345 -0.108 0.000 1.859 184 W CB -0.787 28.649 29.460 -0.039 0.000 1.425 184 W HN 0.180 nan 8.180 nan 0.000 0.713 185 P HA 0.210 nan 4.420 nan 0.000 0.287 185 P C -1.863 175.478 177.300 0.068 0.000 1.290 185 P CA -0.691 62.261 63.100 -0.247 0.000 0.889 185 P CB 1.152 32.680 31.700 -0.286 0.000 1.190 186 Y N 1.028 121.200 120.300 -0.213 0.000 2.308 186 Y HA 0.367 4.919 4.550 0.002 0.000 0.329 186 Y C -0.283 175.433 175.900 -0.307 0.000 1.111 186 Y CA -0.608 57.290 58.100 -0.336 0.000 1.179 186 Y CB 0.569 38.465 38.460 -0.940 0.000 1.201 186 Y HN 0.291 nan 8.280 nan 0.000 0.483 187 N N 6.419 124.587 118.700 -0.886 0.000 2.589 187 N HA 0.311 5.052 4.740 0.002 0.000 0.232 187 N C -1.352 173.598 175.510 -0.933 0.000 1.015 187 N CA -0.422 52.195 53.050 -0.722 0.000 0.931 187 N CB 0.505 38.752 38.487 -0.401 0.000 1.150 187 N HN 0.531 nan 8.380 nan 0.000 0.512 188 L N 3.898 124.643 121.223 -0.796 0.000 2.534 188 L HA 0.193 4.534 4.340 0.002 0.000 0.271 188 L C -1.929 174.731 176.870 -0.349 0.000 1.178 188 L CA -1.511 52.977 54.840 -0.588 0.000 0.907 188 L CB -0.151 41.599 42.059 -0.516 0.000 1.164 188 L HN 0.235 nan 8.230 nan 0.000 0.482 189 P HA -0.057 nan 4.420 nan 0.000 0.268 189 P C 0.278 177.488 177.300 -0.150 0.000 1.208 189 P CA -0.179 62.822 63.100 -0.165 0.000 0.777 189 P CB 0.548 32.181 31.700 -0.111 0.000 0.875 190 D N 0.778 121.108 120.400 -0.116 0.000 2.411 190 D HA -0.072 4.569 4.640 0.002 0.000 0.226 190 D C 0.155 176.395 176.300 -0.099 0.000 0.988 190 D CA 1.155 55.106 54.000 -0.083 0.000 0.938 190 D CB 0.137 40.900 40.800 -0.062 0.000 0.883 190 D HN 0.187 nan 8.370 nan 0.000 0.525 191 L N 0.561 121.679 121.223 -0.176 0.000 2.595 191 L HA 0.293 4.634 4.340 0.002 0.000 0.259 191 L C -1.575 174.902 176.870 -0.654 0.000 1.033 191 L CA -0.248 54.412 54.840 -0.301 0.000 0.901 191 L CB 1.411 43.341 42.059 -0.214 0.000 1.151 191 L HN -0.324 nan 8.230 nan 0.000 0.453 192 V N 1.666 121.211 119.914 -0.615 0.000 3.279 192 V HA 0.495 4.616 4.120 0.002 0.000 0.296 192 V C -0.267 175.808 176.094 -0.033 0.000 1.470 192 V CA -0.336 61.576 62.300 -0.648 0.000 1.065 192 V CB 2.770 34.572 31.823 -0.035 0.000 1.124 192 V HN 0.726 nan 8.190 nan 0.000 0.461 193 S N 3.785 119.766 115.700 0.469 0.000 2.558 193 S HA 0.314 4.785 4.470 0.002 0.000 0.293 193 S C -0.451 174.448 174.600 0.499 0.000 1.292 193 S CA -0.162 58.346 58.200 0.514 0.000 1.063 193 S CB 0.059 63.499 63.200 0.401 0.000 0.831 193 S HN 0.493 nan 8.310 nan 0.000 0.499 194 L N 2.911 124.337 121.223 0.339 0.000 2.309 194 L HA 0.761 5.102 4.340 0.002 0.000 0.282 194 L C 0.975 178.010 176.870 0.275 0.000 1.036 194 L CA 0.653 55.669 54.840 0.295 0.000 0.806 194 L CB 0.497 42.664 42.059 0.179 0.000 1.220 194 L HN 1.038 nan 8.230 nan 0.000 0.429 195 G N 2.655 111.649 108.800 0.322 0.000 2.366 195 G HA2 -0.003 3.958 3.960 0.002 0.000 0.190 195 G HA3 -0.003 3.958 3.960 0.002 0.000 0.190 195 G C -1.037 174.061 174.900 0.331 0.000 1.299 195 G CA -0.485 44.763 45.100 0.247 0.000 1.056 195 G HN 0.362 nan 8.290 nan 0.000 0.468 196 T N 1.189 115.865 114.554 0.203 0.000 2.893 196 T HA 0.509 4.860 4.350 0.002 0.000 0.324 196 T C -0.579 174.156 174.700 0.059 0.000 1.082 196 T CA -0.217 61.987 62.100 0.173 0.000 0.983 196 T CB 0.581 69.447 68.868 -0.005 0.000 1.005 196 T HN 0.442 nan 8.240 nan 0.000 0.475 197 W N 3.043 124.237 121.300 -0.176 0.000 2.112 197 W HA 0.418 5.079 4.660 0.002 0.000 0.349 197 W C 0.771 176.928 176.519 -0.604 0.000 1.289 197 W CA -0.937 56.157 57.345 -0.418 0.000 1.256 197 W CB 0.376 29.475 29.460 -0.600 0.000 1.148 197 W HN 0.484 nan 8.180 nan 0.000 0.590 198 R N 2.047 122.393 120.500 -0.256 0.000 2.513 198 R HA 0.655 4.997 4.340 0.002 0.000 0.301 198 R C -1.177 174.929 176.300 -0.323 0.000 0.968 198 R CA -0.839 55.159 56.100 -0.170 0.000 0.872 198 R CB 1.417 31.734 30.300 0.028 0.000 1.177 198 R HN 0.385 nan 8.270 nan 0.000 0.444 199 I N 3.876 124.180 120.570 -0.442 0.000 2.312 199 I HA 0.241 4.412 4.170 0.002 0.000 0.290 199 I C -0.293 175.545 176.117 -0.465 0.000 1.008 199 I CA -1.053 59.877 61.300 -0.616 0.000 1.226 199 I CB 1.817 39.369 38.000 -0.746 0.000 1.371 199 I HN 0.489 nan 8.210 nan 0.000 0.468 200 V N 4.045 123.731 119.914 -0.379 0.000 2.444 200 V HA 0.889 5.010 4.120 0.002 0.000 0.294 200 V C -0.086 175.880 176.094 -0.213 0.000 1.022 200 V CA -0.464 61.667 62.300 -0.282 0.000 0.850 200 V CB 1.270 32.972 31.823 -0.201 0.000 0.992 200 V HN 0.684 nan 8.190 nan 0.000 0.426 201 A N 5.001 127.723 122.820 -0.164 0.000 2.325 201 A HA 0.971 5.292 4.320 0.002 0.000 0.333 201 A C -0.247 177.325 177.584 -0.021 0.000 1.155 201 A CA -0.607 51.369 52.037 -0.102 0.000 0.814 201 A CB 1.717 20.654 19.000 -0.104 0.000 1.206 201 A HN 1.277 nan 8.150 nan 0.000 0.482 202 K N 0.464 120.844 120.400 -0.035 0.000 2.533 202 K HA 0.558 4.879 4.320 0.002 0.000 0.284 202 K C -2.072 174.520 176.600 -0.014 0.000 1.025 202 K CA -0.676 55.630 56.287 0.032 0.000 0.900 202 K CB 1.008 33.540 32.500 0.053 0.000 1.519 202 K HN 0.531 nan 8.250 nan 0.000 0.432 203 Y N 1.934 122.274 120.300 0.066 0.000 2.330 203 Y HA 0.132 4.683 4.550 0.002 0.000 0.336 203 Y C -0.083 175.880 175.900 0.105 0.000 1.036 203 Y CA -0.170 57.979 58.100 0.082 0.000 1.125 203 Y CB 1.595 40.103 38.460 0.080 0.000 1.194 203 Y HN 0.608 nan 8.280 nan 0.000 0.469 204 E N 3.151 123.524 120.200 0.289 0.000 2.905 204 E HA -0.149 4.202 4.350 0.002 0.000 0.240 204 E C -0.990 175.897 176.600 0.478 0.000 0.990 204 E CA 0.313 56.923 56.400 0.349 0.000 0.954 204 E CB -0.576 29.372 29.700 0.414 0.000 0.908 204 E HN 0.823 nan 8.360 nan 0.000 0.532 205 H N 0.584 119.721 119.070 0.112 0.000 2.944 205 H HA -0.153 4.404 4.556 0.002 0.000 0.313 205 H C -1.171 174.198 175.328 0.069 0.000 1.293 205 H CA 1.170 57.268 56.048 0.084 0.000 1.173 205 H CB -2.089 27.731 29.762 0.098 0.000 1.420 205 H HN 0.750 nan 8.280 nan 0.000 0.432 206 S N -2.168 113.624 115.700 0.153 0.000 2.325 206 S HA 0.393 4.865 4.470 0.002 0.000 0.228 206 S C -2.910 171.755 174.600 0.108 0.000 0.942 206 S CA -1.377 56.889 58.200 0.111 0.000 1.070 206 S CB 1.734 65.003 63.200 0.115 0.000 1.232 206 S HN -0.040 nan 8.310 nan 0.000 0.405 207 P HA -0.008 nan 4.420 nan 0.000 0.156 207 P C 0.706 178.065 177.300 0.099 0.000 1.187 207 P CA 0.575 63.717 63.100 0.069 0.000 1.008 207 P CB -0.114 31.612 31.700 0.043 0.000 1.610 208 E N 1.420 121.700 120.200 0.134 0.000 2.140 208 E HA -0.119 4.232 4.350 0.002 0.000 0.191 208 E C 0.406 177.104 176.600 0.164 0.000 0.973 208 E CA 0.250 56.749 56.400 0.164 0.000 0.829 208 E CB -0.058 29.771 29.700 0.215 0.000 0.781 208 E HN 0.082 nan 8.360 nan 0.000 0.466 209 N N 0.126 118.905 118.700 0.133 0.000 2.727 209 N HA -0.249 4.492 4.740 0.002 0.000 0.251 209 N C -1.158 174.422 175.510 0.116 0.000 1.040 209 N CA 0.452 53.554 53.050 0.087 0.000 0.712 209 N CB -1.880 36.644 38.487 0.061 0.000 0.912 209 N HN 0.264 nan 8.380 nan 0.000 0.545 210 Y N 0.171 120.476 120.300 0.008 0.000 2.298 210 Y HA 0.595 5.147 4.550 0.002 0.000 0.329 210 Y C 1.018 176.870 175.900 -0.081 0.000 1.293 210 Y CA 0.319 58.412 58.100 -0.012 0.000 1.388 210 Y CB 1.101 39.577 38.460 0.026 0.000 1.309 210 Y HN 0.183 nan 8.280 nan 0.000 0.544 211 T N 1.793 115.534 114.554 -1.357 0.000 2.816 211 T HA 0.829 5.180 4.350 0.002 0.000 0.299 211 T C -1.990 172.054 174.700 -1.093 0.000 1.230 211 T CA -0.103 61.413 62.100 -0.973 0.000 1.007 211 T CB 0.912 69.339 68.868 -0.735 0.000 1.289 211 T HN 1.013 nan 8.240 nan 0.000 0.508 212 A N 1.717 124.093 122.820 -0.740 0.000 2.589 212 A HA 0.731 5.052 4.320 0.002 0.000 0.296 212 A C -2.319 175.008 177.584 -0.428 0.000 1.062 212 A CA -0.564 51.158 52.037 -0.524 0.000 0.686 212 A CB 1.212 20.059 19.000 -0.255 0.000 1.282 212 A HN 0.626 nan 8.150 nan 0.000 0.404 213 Y N 0.455 120.518 120.300 -0.396 0.000 2.446 213 Y HA 0.754 5.306 4.550 0.002 0.000 0.345 213 Y C -0.545 175.186 175.900 -0.281 0.000 0.984 213 Y CA -1.752 55.992 58.100 -0.593 0.000 1.058 213 Y CB 1.960 39.741 38.460 -1.131 0.000 1.220 213 Y HN 0.716 nan 8.280 nan 0.000 0.455 214 F N 0.443 120.500 119.950 0.178 0.000 2.573 214 F HA 0.557 5.085 4.527 0.002 0.000 0.316 214 F C -0.961 175.088 175.800 0.415 0.000 1.148 214 F CA -1.843 56.395 58.000 0.396 0.000 0.940 214 F CB 0.938 40.192 39.000 0.423 0.000 1.214 214 F HN 0.255 nan 8.300 nan 0.000 0.448 215 D N 2.572 123.430 120.400 0.764 0.000 2.382 215 D HA 0.417 5.059 4.640 0.002 0.000 0.245 215 D C -0.805 175.796 176.300 0.503 0.000 1.120 215 D CA 0.245 54.565 54.000 0.533 0.000 0.890 215 D CB 2.382 43.390 40.800 0.347 0.000 1.201 215 D HN 0.509 nan 8.370 nan 0.000 0.433 216 V N 3.675 123.829 119.914 0.401 0.000 2.577 216 V HA 0.414 4.535 4.120 0.002 0.000 0.294 216 V C -0.470 175.743 176.094 0.200 0.000 1.052 216 V CA -0.451 62.004 62.300 0.258 0.000 0.891 216 V CB 1.695 33.605 31.823 0.145 0.000 1.017 216 V HN 0.662 nan 8.190 nan 0.000 0.436 217 R N 4.523 125.089 120.500 0.110 0.000 2.741 217 R HA 0.386 4.728 4.340 0.002 0.000 0.276 217 R C -1.746 174.536 176.300 -0.030 0.000 1.028 217 R CA -0.942 55.194 56.100 0.060 0.000 0.865 217 R CB 1.587 31.912 30.300 0.042 0.000 1.268 217 R HN 0.459 nan 8.270 nan 0.000 0.475 218 K N 2.306 122.679 120.400 -0.045 0.000 2.142 218 K HA 0.161 4.482 4.320 0.002 0.000 0.250 218 K C -0.735 175.752 176.600 -0.188 0.000 1.148 218 K CA -0.104 56.096 56.287 -0.146 0.000 1.040 218 K CB -0.057 32.611 32.500 0.280 0.000 1.569 218 K HN 0.265 nan 8.250 nan 0.000 0.361 219 Y N 0.571 120.674 120.300 -0.329 0.000 2.862 219 Y HA 0.410 4.961 4.550 0.002 0.000 0.347 219 Y C 0.136 175.908 175.900 -0.214 0.000 1.234 219 Y CA -1.575 56.405 58.100 -0.200 0.000 1.204 219 Y CB 1.260 39.628 38.460 -0.153 0.000 1.464 219 Y HN 0.094 nan 8.280 nan 0.000 0.710 220 V N 0.319 120.361 119.914 0.214 0.000 3.063 220 V HA 0.253 4.374 4.120 0.002 0.000 0.249 220 V C -1.333 174.616 176.094 -0.242 0.000 0.908 220 V CA -1.122 61.164 62.300 -0.023 0.000 0.966 220 V CB -0.215 31.654 31.823 0.076 0.000 1.015 220 V HN 0.564 nan 8.190 nan 0.000 0.512 221 L N 3.954 125.005 121.223 -0.285 0.000 2.780 221 L HA 0.216 4.557 4.340 0.002 0.000 0.275 221 L C -1.806 174.916 176.870 -0.246 0.000 1.153 221 L CA -0.415 54.226 54.840 -0.330 0.000 0.993 221 L CB -0.752 41.174 42.059 -0.222 0.000 1.319 221 L HN 0.360 nan 8.230 nan 0.000 0.479 222 P HA 0.089 nan 4.420 nan 0.000 0.271 222 P C 0.487 177.705 177.300 -0.138 0.000 1.218 222 P CA -0.312 62.679 63.100 -0.183 0.000 0.780 222 P CB 0.918 32.451 31.700 -0.279 0.000 0.901 223 S N 0.985 116.700 115.700 0.024 0.000 2.561 223 S HA 0.083 4.554 4.470 0.002 0.000 0.225 223 S C 0.391 175.030 174.600 0.064 0.000 0.977 223 S CA 0.079 58.320 58.200 0.069 0.000 0.926 223 S CB -0.935 62.372 63.200 0.178 0.000 0.769 223 S HN 0.566 nan 8.310 nan 0.000 0.533 224 F N 0.079 119.867 119.950 -0.269 0.000 2.569 224 F HA 0.690 5.219 4.527 0.002 0.000 0.312 224 F C -0.482 175.182 175.800 -0.227 0.000 1.109 224 F CA -1.380 56.433 58.000 -0.313 0.000 0.919 224 F CB 1.127 39.802 39.000 -0.541 0.000 1.211 224 F HN -0.114 nan 8.300 nan 0.000 0.446 225 E N 2.163 122.225 120.200 -0.229 0.000 2.383 225 E HA 0.428 4.779 4.350 0.002 0.000 0.264 225 E C -1.501 174.962 176.600 -0.228 0.000 1.050 225 E CA -0.509 55.735 56.400 -0.259 0.000 0.896 225 E CB 1.598 31.215 29.700 -0.138 0.000 0.982 225 E HN 0.666 nan 8.360 nan 0.000 0.424 226 V N 5.322 125.084 119.914 -0.253 0.000 2.483 226 V HA 0.376 4.498 4.120 0.002 0.000 0.297 226 V C -0.436 175.591 176.094 -0.112 0.000 1.027 226 V CA -0.548 61.663 62.300 -0.148 0.000 0.855 226 V CB 1.636 33.354 31.823 -0.175 0.000 0.995 226 V HN 0.664 nan 8.190 nan 0.000 0.424 227 R N 5.197 125.656 120.500 -0.069 0.000 2.637 227 R HA 0.732 5.073 4.340 0.002 0.000 0.291 227 R C -1.319 174.956 176.300 -0.042 0.000 0.963 227 R CA -0.738 55.327 56.100 -0.059 0.000 0.901 227 R CB 2.268 32.539 30.300 -0.047 0.000 1.160 227 R HN 0.517 nan 8.270 nan 0.000 0.457 228 L N 1.810 123.010 121.223 -0.038 0.000 2.333 228 L HA 0.487 4.828 4.340 0.002 0.000 0.269 228 L C -0.580 176.285 176.870 -0.008 0.000 1.010 228 L CA -1.001 53.826 54.840 -0.022 0.000 0.818 228 L CB 2.002 44.046 42.059 -0.026 0.000 1.306 228 L HN 0.441 nan 8.230 nan 0.000 0.430 229 Q N 2.578 122.383 119.800 0.009 0.000 2.406 229 Q HA 0.413 4.754 4.340 0.002 0.000 0.244 229 Q C -2.679 173.354 176.000 0.056 0.000 0.884 229 Q CA -1.394 54.423 55.803 0.022 0.000 0.813 229 Q CB 2.382 31.128 28.738 0.013 0.000 1.368 229 Q HN 0.137 nan 8.270 nan 0.000 0.439 230 P HA 0.131 nan 4.420 nan 0.000 0.272 230 P C 0.076 177.479 177.300 0.171 0.000 1.240 230 P CA -0.082 63.139 63.100 0.201 0.000 0.791 230 P CB 0.964 32.818 31.700 0.256 0.000 0.978 231 S N -0.635 115.222 115.700 0.263 0.000 2.345 231 S HA -0.036 4.436 4.470 0.002 0.000 0.219 231 S C 0.521 175.069 174.600 -0.088 0.000 1.031 231 S CA 1.025 59.291 58.200 0.109 0.000 0.984 231 S CB -0.422 62.905 63.200 0.211 0.000 0.874 231 S HN 0.472 nan 8.310 nan 0.000 0.451 232 E N 0.388 120.431 120.200 -0.262 0.000 2.312 232 E HA 0.412 4.763 4.350 0.002 0.000 0.267 232 E C -0.370 175.857 176.600 -0.622 0.000 0.894 232 E CA -0.683 55.350 56.400 -0.613 0.000 0.773 232 E CB 1.540 30.622 29.700 -1.029 0.000 1.241 232 E HN -0.007 nan 8.360 nan 0.000 0.432 233 K N 0.835 120.812 120.400 -0.705 0.000 2.585 233 K HA -0.013 4.308 4.320 0.002 0.000 0.194 233 K C -0.339 176.161 176.600 -0.167 0.000 1.037 233 K CA 0.632 56.719 56.287 -0.333 0.000 0.964 233 K CB -0.361 32.001 32.500 -0.231 0.000 0.787 233 K HN 0.364 nan 8.250 nan 0.000 0.488 234 F N -4.032 115.828 119.950 -0.150 0.000 2.877 234 F HA 0.524 5.053 4.527 0.002 0.000 0.319 234 F C -1.675 173.991 175.800 -0.223 0.000 1.174 234 F CA -2.516 55.404 58.000 -0.133 0.000 0.903 234 F CB 0.529 39.406 39.000 -0.206 0.000 1.357 234 F HN -0.236 nan 8.300 nan 0.000 0.472 235 F N 1.566 121.600 119.950 0.140 0.000 2.617 235 F HA 0.570 5.098 4.527 0.002 0.000 0.325 235 F C -1.681 174.111 175.800 -0.013 0.000 1.179 235 F CA -1.142 56.833 58.000 -0.042 0.000 0.965 235 F CB 1.129 40.127 39.000 -0.005 0.000 1.232 235 F HN 0.431 nan 8.300 nan 0.000 0.461 236 Y N 7.123 127.117 120.300 -0.510 0.000 2.697 236 Y HA 0.094 4.645 4.550 0.002 0.000 0.349 236 Y C 1.607 177.245 175.900 -0.437 0.000 1.120 236 Y CA 0.101 57.930 58.100 -0.451 0.000 1.468 236 Y CB 0.144 38.349 38.460 -0.425 0.000 1.182 236 Y HN 0.644 nan 8.280 nan 0.000 0.525 237 I N 2.740 123.290 120.570 -0.033 0.000 3.185 237 I HA -0.246 3.926 4.170 0.002 0.000 0.286 237 I C -0.024 176.027 176.117 -0.109 0.000 1.323 237 I CA 1.386 62.675 61.300 -0.019 0.000 1.392 237 I CB -0.189 37.836 38.000 0.040 0.000 1.063 237 I HN 0.701 nan 8.210 nan 0.000 0.525 238 D N -1.816 118.493 120.400 -0.151 0.000 3.629 238 D HA 0.234 4.876 4.640 0.002 0.000 0.306 238 D C -0.130 176.069 176.300 -0.168 0.000 1.431 238 D CA -0.205 53.703 54.000 -0.154 0.000 0.748 238 D CB -0.427 40.298 40.800 -0.125 0.000 1.315 238 D HN 0.084 nan 8.370 nan 0.000 0.667 239 G N -0.412 108.275 108.800 -0.188 0.000 3.257 239 G HA2 0.373 4.334 3.960 0.002 0.000 0.205 239 G HA3 0.373 4.334 3.960 0.002 0.000 0.205 239 G C 0.222 175.064 174.900 -0.096 0.000 1.234 239 G CA -0.736 44.281 45.100 -0.140 0.000 0.918 239 G HN 0.086 nan 8.290 nan 0.000 0.602 240 N N 0.081 118.755 118.700 -0.044 0.000 2.113 240 N HA 0.036 4.777 4.740 0.002 0.000 0.223 240 N C 0.005 175.539 175.510 0.041 0.000 1.310 240 N CA -0.139 52.913 53.050 0.003 0.000 0.896 240 N CB 1.198 39.693 38.487 0.012 0.000 1.097 240 N HN 0.693 nan 8.380 nan 0.000 0.507 241 E N 2.331 122.548 120.200 0.028 0.000 2.415 241 E HA 0.027 4.378 4.350 0.002 0.000 0.263 241 E C -0.411 176.269 176.600 0.133 0.000 0.995 241 E CA 0.222 56.662 56.400 0.067 0.000 0.915 241 E CB 0.692 30.418 29.700 0.044 0.000 0.951 241 E HN 0.034 nan 8.360 nan 0.000 0.449 242 N N 2.916 121.681 118.700 0.108 0.000 2.381 242 N HA 0.181 4.922 4.740 0.002 0.000 0.254 242 N C -0.811 174.696 175.510 -0.005 0.000 1.264 242 N CA -0.125 52.962 53.050 0.062 0.000 0.942 242 N CB 0.623 39.073 38.487 -0.062 0.000 1.190 242 N HN 0.519 nan 8.380 nan 0.000 0.495 243 F N 1.396 121.185 119.950 -0.269 0.000 2.382 243 F HA 0.208 4.736 4.527 0.002 0.000 0.361 243 F C -0.085 175.492 175.800 -0.373 0.000 1.109 243 F CA -0.900 56.917 58.000 -0.305 0.000 1.031 243 F CB 0.561 39.287 39.000 -0.457 0.000 1.234 243 F HN 0.319 nan 8.300 nan 0.000 0.445 244 H N 5.780 125.133 119.070 0.471 0.000 2.552 244 H HA 0.323 4.880 4.556 0.002 0.000 0.311 244 H C -0.546 174.886 175.328 0.173 0.000 1.071 244 H CA -0.519 55.667 56.048 0.231 0.000 1.307 244 H CB 1.792 31.648 29.762 0.156 0.000 1.416 244 H HN 0.268 nan 8.280 nan 0.000 0.464 245 V N 3.218 123.232 119.914 0.166 0.000 2.370 245 V HA 0.130 4.252 4.120 0.002 0.000 0.283 245 V C 0.511 176.661 176.094 0.092 0.000 1.023 245 V CA -0.671 61.682 62.300 0.088 0.000 0.857 245 V CB 1.399 33.242 31.823 0.033 0.000 0.985 245 V HN 0.714 nan 8.190 nan 0.000 0.443 246 S N 5.801 121.544 115.700 0.071 0.000 2.513 246 S HA 0.651 5.123 4.470 0.002 0.000 0.276 246 S C -0.244 174.365 174.600 0.015 0.000 1.254 246 S CA -0.316 57.908 58.200 0.040 0.000 1.053 246 S CB 0.640 63.858 63.200 0.030 0.000 0.958 246 S HN 0.543 nan 8.310 nan 0.000 0.491 247 I N 3.245 123.816 120.570 0.002 0.000 2.436 247 I HA 0.357 4.529 4.170 0.002 0.000 0.289 247 I C 0.092 176.202 176.117 -0.012 0.000 1.010 247 I CA -0.506 60.786 61.300 -0.013 0.000 1.098 247 I CB 2.009 39.994 38.000 -0.025 0.000 1.266 247 I HN 0.587 nan 8.210 nan 0.000 0.434 248 T N 2.472 117.019 114.554 -0.012 0.000 2.908 248 T HA 0.906 5.257 4.350 0.002 0.000 0.290 248 T C -0.594 174.107 174.700 0.001 0.000 1.034 248 T CA -0.924 61.171 62.100 -0.007 0.000 1.010 248 T CB 2.438 71.301 68.868 -0.009 0.000 1.068 248 T HN 0.735 nan 8.240 nan 0.000 0.481 249 A N 2.176 125.006 122.820 0.017 0.000 2.491 249 A HA 0.790 5.111 4.320 0.002 0.000 0.293 249 A C -0.733 176.890 177.584 0.065 0.000 1.047 249 A CA -1.036 51.038 52.037 0.063 0.000 0.735 249 A CB 1.314 20.396 19.000 0.136 0.000 1.281 249 A HN 0.841 nan 8.150 nan 0.000 0.398 250 R N 0.977 121.522 120.500 0.076 0.000 2.604 250 R HA 0.426 4.767 4.340 0.002 0.000 0.281 250 R C -1.521 174.800 176.300 0.034 0.000 1.020 250 R CA -0.643 55.483 56.100 0.043 0.000 0.899 250 R CB 1.817 32.123 30.300 0.010 0.000 1.205 250 R HN 0.727 nan 8.270 nan 0.000 0.450 251 Y N 2.496 122.691 120.300 -0.174 0.000 2.597 251 Y HA -0.106 4.446 4.550 0.002 0.000 0.336 251 Y C 1.868 177.581 175.900 -0.311 0.000 1.216 251 Y CA 0.204 58.111 58.100 -0.323 0.000 1.463 251 Y CB 0.543 38.438 38.460 -0.941 0.000 1.303 251 Y HN 0.530 nan 8.280 nan 0.000 0.576 252 L N 2.590 123.784 121.223 -0.049 0.000 2.270 252 L HA -0.304 4.038 4.340 0.002 0.000 0.217 252 L C 1.584 178.462 176.870 0.013 0.000 1.107 252 L CA 1.425 56.248 54.840 -0.028 0.000 0.772 252 L CB -0.681 41.363 42.059 -0.025 0.000 0.902 252 L HN 0.829 nan 8.230 nan 0.000 0.439 253 Y N -1.294 119.044 120.300 0.063 0.000 2.546 253 Y HA 0.400 4.952 4.550 0.002 0.000 0.287 253 Y C 1.394 177.323 175.900 0.047 0.000 1.158 253 Y CA 0.009 58.122 58.100 0.021 0.000 1.307 253 Y CB -0.591 37.866 38.460 -0.006 0.000 1.036 253 Y HN 0.049 nan 8.280 nan 0.000 0.532 254 G N 0.317 109.098 108.800 -0.032 0.000 2.270 254 G HA2 -0.164 3.797 3.960 0.002 0.000 0.224 254 G HA3 -0.164 3.797 3.960 0.002 0.000 0.224 254 G C -0.658 174.223 174.900 -0.032 0.000 1.079 254 G CA -0.210 44.886 45.100 -0.006 0.000 0.807 254 G HN 0.340 nan 8.290 nan 0.000 0.492 255 E N 0.061 120.189 120.200 -0.119 0.000 2.343 255 E HA 0.341 4.692 4.350 0.002 0.000 0.270 255 E C 0.165 176.735 176.600 -0.052 0.000 0.895 255 E CA -0.829 55.490 56.400 -0.134 0.000 0.767 255 E CB 1.422 30.974 29.700 -0.247 0.000 1.248 255 E HN 0.562 nan 8.360 nan 0.000 0.440 256 E N 0.553 120.726 120.200 -0.045 0.000 2.415 256 E HA 0.173 4.524 4.350 0.002 0.000 0.262 256 E C -0.102 176.570 176.600 0.120 0.000 1.038 256 E CA -0.101 56.309 56.400 0.016 0.000 0.921 256 E CB 0.832 30.523 29.700 -0.016 0.000 0.950 256 E HN 0.069 nan 8.360 nan 0.000 0.438 257 V N 1.837 121.803 119.914 0.088 0.000 2.863 257 V HA 0.210 4.332 4.120 0.002 0.000 0.307 257 V C -0.079 176.022 176.094 0.011 0.000 1.061 257 V CA -0.297 62.038 62.300 0.057 0.000 1.024 257 V CB 1.710 33.365 31.823 -0.281 0.000 1.049 257 V HN 0.697 nan 8.190 nan 0.000 0.471 258 E N 0.454 120.660 120.200 0.010 0.000 2.256 258 E HA 0.685 5.036 4.350 0.002 0.000 0.268 258 E C -0.160 176.413 176.600 -0.045 0.000 0.877 258 E CA 0.233 56.630 56.400 -0.005 0.000 0.757 258 E CB 1.899 31.624 29.700 0.042 0.000 1.183 258 E HN 0.905 nan 8.360 nan 0.000 0.418 259 G N 1.165 109.931 108.800 -0.056 0.000 2.441 259 G HA2 0.325 4.287 3.960 0.002 0.000 0.225 259 G HA3 0.325 4.287 3.960 0.002 0.000 0.225 259 G C -1.590 173.232 174.900 -0.129 0.000 1.200 259 G CA -0.222 44.834 45.100 -0.074 0.000 0.947 259 G HN 0.482 nan 8.290 nan 0.000 0.484 260 V N 0.421 120.216 119.914 -0.199 0.000 2.686 260 V HA 0.802 4.923 4.120 0.002 0.000 0.306 260 V C -0.207 175.657 176.094 -0.383 0.000 1.065 260 V CA -0.006 62.071 62.300 -0.371 0.000 0.894 260 V CB 1.406 32.801 31.823 -0.712 0.000 1.004 260 V HN 1.799 nan 8.190 nan 0.000 0.424 261 A N 4.618 127.234 122.820 -0.341 0.000 2.359 261 A HA 0.883 5.204 4.320 0.002 0.000 0.303 261 A C -1.216 176.268 177.584 -0.166 0.000 1.066 261 A CA -0.381 51.478 52.037 -0.295 0.000 0.730 261 A CB 0.817 19.717 19.000 -0.167 0.000 1.211 261 A HN 0.519 nan 8.150 nan 0.000 0.439 262 F N 2.023 121.840 119.950 -0.222 0.000 2.420 262 F HA 0.516 5.044 4.527 0.002 0.000 0.352 262 F C 0.300 175.858 175.800 -0.403 0.000 1.108 262 F CA -0.988 56.793 58.000 -0.364 0.000 1.162 262 F CB 1.341 40.030 39.000 -0.518 0.000 1.118 262 F HN 0.287 nan 8.300 nan 0.000 0.510 263 V N 4.616 124.378 119.914 -0.253 0.000 2.680 263 V HA 0.662 4.783 4.120 0.002 0.000 0.309 263 V C -0.830 174.928 176.094 -0.560 0.000 1.052 263 V CA -0.940 61.119 62.300 -0.402 0.000 0.908 263 V CB 2.062 33.614 31.823 -0.451 0.000 1.001 263 V HN 0.552 nan 8.190 nan 0.000 0.431 264 L N 3.712 124.614 121.223 -0.535 0.000 2.439 264 L HA 0.794 5.136 4.340 0.002 0.000 0.270 264 L C -1.518 175.166 176.870 -0.310 0.000 0.972 264 L CA 0.006 54.601 54.840 -0.408 0.000 0.836 264 L CB 1.538 43.488 42.059 -0.183 0.000 1.255 264 L HN 0.423 nan 8.230 nan 0.000 0.404 265 F N 3.074 122.961 119.950 -0.106 0.000 2.397 265 F HA 0.924 5.453 4.527 0.002 0.000 0.331 265 F C 1.079 176.714 175.800 -0.274 0.000 1.090 265 F CA -0.170 57.715 58.000 -0.192 0.000 1.065 265 F CB 1.871 40.675 39.000 -0.327 0.000 1.184 265 F HN 0.718 nan 8.300 nan 0.000 0.499 266 G N 0.305 108.870 108.800 -0.391 0.000 2.721 266 G HA2 0.643 4.604 3.960 0.002 0.000 0.296 266 G HA3 0.643 4.604 3.960 0.002 0.000 0.296 266 G C -2.261 172.005 174.900 -1.057 0.000 1.383 266 G CA -0.755 43.827 45.100 -0.863 0.000 0.788 266 G HN 0.480 nan 8.290 nan 0.000 0.500 267 V N 0.071 119.597 119.914 -0.646 0.000 2.760 267 V HA 0.518 4.639 4.120 0.002 0.000 0.309 267 V C -0.418 175.602 176.094 -0.123 0.000 1.077 267 V CA -0.917 61.209 62.300 -0.291 0.000 0.910 267 V CB 2.026 33.896 31.823 0.077 0.000 1.008 267 V HN 0.689 nan 8.190 nan 0.000 0.424 268 K N 5.121 125.537 120.400 0.027 0.000 2.300 268 K HA 0.501 4.822 4.320 0.002 0.000 0.264 268 K C -0.138 176.506 176.600 0.073 0.000 1.083 268 K CA -0.456 55.930 56.287 0.165 0.000 0.958 268 K CB 0.478 33.153 32.500 0.292 0.000 1.318 268 K HN 0.769 nan 8.250 nan 0.000 0.448 269 I N 1.858 122.373 120.570 -0.092 0.000 2.329 269 I HA 0.143 4.314 4.170 0.002 0.000 0.295 269 I C -0.265 175.916 176.117 0.107 0.000 1.109 269 I CA -0.632 60.525 61.300 -0.238 0.000 1.297 269 I CB 0.043 37.813 38.000 -0.383 0.000 1.433 269 I HN 0.623 nan 8.210 nan 0.000 0.509 270 D N 4.516 125.091 120.400 0.291 0.000 3.417 270 D HA -0.303 4.338 4.640 0.002 0.000 0.163 270 D C 0.162 176.538 176.300 0.128 0.000 1.070 270 D CA 2.043 56.157 54.000 0.189 0.000 1.047 270 D CB -0.458 40.435 40.800 0.155 0.000 0.514 270 D HN 0.725 nan 8.370 nan 0.000 0.532 271 D N 1.494 121.950 120.400 0.094 0.000 3.085 271 D HA 0.556 5.197 4.640 0.002 0.000 0.243 271 D C -0.508 175.831 176.300 0.065 0.000 1.232 271 D CA 0.504 54.547 54.000 0.072 0.000 0.913 271 D CB -0.398 40.435 40.800 0.055 0.000 1.108 271 D HN 0.536 nan 8.370 nan 0.000 0.468 272 A N 0.589 123.455 122.820 0.077 0.000 2.512 272 A HA 0.397 4.718 4.320 0.002 0.000 0.294 272 A C -0.366 177.278 177.584 0.100 0.000 1.054 272 A CA -0.913 51.167 52.037 0.072 0.000 0.756 272 A CB 1.530 20.561 19.000 0.052 0.000 1.293 272 A HN -0.008 nan 8.150 nan 0.000 0.395 273 K N 0.992 121.476 120.400 0.139 0.000 2.087 273 K HA 0.607 4.928 4.320 0.002 0.000 0.255 273 K C -0.591 176.130 176.600 0.202 0.000 0.988 273 K CA -0.487 55.950 56.287 0.251 0.000 0.915 273 K CB 1.637 34.342 32.500 0.341 0.000 1.043 273 K HN 0.561 nan 8.250 nan 0.000 0.457 274 K N 0.885 121.408 120.400 0.206 0.000 2.507 274 K HA 0.233 4.554 4.320 0.002 0.000 0.252 274 K C -1.067 175.623 176.600 0.150 0.000 0.943 274 K CA -0.314 56.084 56.287 0.185 0.000 0.808 274 K CB 1.796 34.436 32.500 0.234 0.000 1.142 274 K HN 0.521 nan 8.250 nan 0.000 0.426 275 S N 2.784 118.575 115.700 0.153 0.000 2.579 275 S HA 0.210 4.681 4.470 0.002 0.000 0.275 275 S C 0.572 175.152 174.600 -0.033 0.000 1.345 275 S CA -0.216 58.050 58.200 0.110 0.000 1.031 275 S CB 0.299 63.596 63.200 0.161 0.000 0.892 275 S HN 0.463 nan 8.310 nan 0.000 0.529 276 I N 2.934 123.443 120.570 -0.102 0.000 2.802 276 I HA 0.204 4.375 4.170 0.002 0.000 0.307 276 I C -1.926 174.136 176.117 -0.091 0.000 1.232 276 I CA -1.943 59.232 61.300 -0.209 0.000 1.060 276 I CB 0.184 37.995 38.000 -0.315 0.000 1.866 276 I HN 0.384 nan 8.210 nan 0.000 0.568 277 P HA -0.282 nan 4.420 nan 0.000 0.224 277 P C 0.745 178.045 177.300 0.001 0.000 1.130 277 P CA 1.850 64.968 63.100 0.030 0.000 0.976 277 P CB 0.076 31.776 31.700 -0.001 0.000 0.781 278 D N -1.580 118.801 120.400 -0.032 0.000 2.378 278 D HA -0.089 4.552 4.640 0.002 0.000 0.222 278 D C 1.890 178.165 176.300 -0.041 0.000 0.980 278 D CA 1.180 55.160 54.000 -0.032 0.000 0.907 278 D CB -0.610 40.173 40.800 -0.029 0.000 0.899 278 D HN 0.313 nan 8.370 nan 0.000 0.527 279 S N 0.426 116.097 115.700 -0.049 0.000 2.402 279 S HA -0.116 4.356 4.470 0.002 0.000 0.229 279 S C 1.083 175.606 174.600 -0.129 0.000 1.021 279 S CA -0.170 58.004 58.200 -0.043 0.000 0.974 279 S CB -0.817 62.395 63.200 0.019 0.000 0.800 279 S HN 0.402 nan 8.310 nan 0.000 0.484 280 L N 3.101 124.237 121.223 -0.145 0.000 2.584 280 L HA 0.514 4.856 4.340 0.002 0.000 0.272 280 L C -0.324 176.396 176.870 -0.250 0.000 1.195 280 L CA 0.521 55.210 54.840 -0.251 0.000 0.920 280 L CB -0.089 41.833 42.059 -0.229 0.000 1.173 280 L HN 0.389 nan 8.230 nan 0.000 0.489 281 T N 1.720 116.097 114.554 -0.294 0.000 2.843 281 T HA 0.484 4.835 4.350 0.002 0.000 0.302 281 T C -0.626 173.948 174.700 -0.210 0.000 1.232 281 T CA -1.047 60.914 62.100 -0.232 0.000 1.009 281 T CB 1.279 70.057 68.868 -0.150 0.000 1.254 281 T HN 0.867 nan 8.240 nan 0.000 0.504 282 R N 0.754 121.160 120.500 -0.157 0.000 2.346 282 R HA 0.688 5.029 4.340 0.002 0.000 0.311 282 R C -1.502 174.723 176.300 -0.125 0.000 0.983 282 R CA -0.797 55.274 56.100 -0.048 0.000 0.880 282 R CB 0.433 30.698 30.300 -0.057 0.000 1.100 282 R HN 0.623 nan 8.270 nan 0.000 0.453 283 I N 6.071 126.558 120.570 -0.139 0.000 2.534 283 I HA 0.329 4.500 4.170 0.002 0.000 0.288 283 I C -2.341 173.641 176.117 -0.224 0.000 1.077 283 I CA -2.476 58.721 61.300 -0.171 0.000 1.051 283 I CB 2.118 40.049 38.000 -0.115 0.000 1.234 283 I HN 0.493 nan 8.210 nan 0.000 0.425 284 P HA 0.235 nan 4.420 nan 0.000 0.273 284 P C -0.701 176.538 177.300 -0.102 0.000 1.319 284 P CA -0.144 62.838 63.100 -0.196 0.000 0.885 284 P CB -0.033 31.604 31.700 -0.105 0.000 1.015 285 I N 5.508 126.015 120.570 -0.106 0.000 2.379 285 I HA 0.145 4.316 4.170 0.002 0.000 0.290 285 I C 0.415 176.509 176.117 -0.040 0.000 1.063 285 I CA 0.330 61.590 61.300 -0.067 0.000 1.351 285 I CB -0.197 37.758 38.000 -0.074 0.000 1.410 285 I HN 0.176 nan 8.210 nan 0.000 0.505 286 I N 5.244 125.800 120.570 -0.024 0.000 2.509 286 I HA 0.279 4.451 4.170 0.002 0.000 0.293 286 I C 0.225 176.336 176.117 -0.010 0.000 1.020 286 I CA -0.618 60.676 61.300 -0.010 0.000 1.088 286 I CB 1.412 39.410 38.000 -0.003 0.000 1.267 286 I HN 0.516 nan 8.210 nan 0.000 0.430 287 D N 4.932 125.329 120.400 -0.006 0.000 2.737 287 D HA -0.196 4.445 4.640 0.002 0.000 0.233 287 D C 1.320 177.614 176.300 -0.011 0.000 1.155 287 D CA 1.696 55.690 54.000 -0.010 0.000 0.667 287 D CB -0.845 39.946 40.800 -0.014 0.000 1.060 287 D HN 1.158 nan 8.370 nan 0.000 0.427 288 G N -0.954 107.840 108.800 -0.010 0.000 2.179 288 G HA2 -0.285 3.676 3.960 0.002 0.000 0.260 288 G HA3 -0.285 3.676 3.960 0.002 0.000 0.260 288 G C -0.097 174.796 174.900 -0.012 0.000 0.977 288 G CA 0.447 45.541 45.100 -0.010 0.000 0.641 288 G HN 0.470 nan 8.290 nan 0.000 0.533 289 D N -0.022 120.368 120.400 -0.016 0.000 2.350 289 D HA 0.710 5.351 4.640 0.002 0.000 0.238 289 D C 0.395 176.682 176.300 -0.021 0.000 0.989 289 D CA 0.767 54.758 54.000 -0.015 0.000 0.921 289 D CB 1.592 42.384 40.800 -0.012 0.000 1.297 289 D HN 1.048 nan 8.370 nan 0.000 0.490 290 G N 0.181 108.970 108.800 -0.019 0.000 2.503 290 G HA2 0.384 4.345 3.960 0.002 0.000 0.305 290 G HA3 0.384 4.345 3.960 0.002 0.000 0.305 290 G C -1.492 173.402 174.900 -0.010 0.000 1.575 290 G CA -0.859 44.228 45.100 -0.022 0.000 0.890 290 G HN 0.320 nan 8.290 nan 0.000 0.612 291 K N 0.839 121.242 120.400 0.005 0.000 2.206 291 K HA 0.854 5.176 4.320 0.002 0.000 0.264 291 K C -0.115 176.515 176.600 0.050 0.000 0.967 291 K CA -0.213 56.097 56.287 0.038 0.000 0.844 291 K CB 1.694 34.223 32.500 0.048 0.000 1.099 291 K HN 1.082 nan 8.250 nan 0.000 0.441 292 A N 2.856 125.719 122.820 0.070 0.000 2.386 292 A HA 0.671 4.992 4.320 0.002 0.000 0.311 292 A C -1.108 176.579 177.584 0.171 0.000 1.068 292 A CA -0.726 51.347 52.037 0.060 0.000 0.743 292 A CB 1.656 20.629 19.000 -0.046 0.000 1.258 292 A HN 0.688 nan 8.150 nan 0.000 0.429 293 T N 2.391 117.053 114.554 0.179 0.000 2.848 293 T HA 0.470 4.821 4.350 0.002 0.000 0.285 293 T C -0.761 174.117 174.700 0.296 0.000 0.995 293 T CA -0.357 61.860 62.100 0.196 0.000 0.970 293 T CB 1.132 70.076 68.868 0.127 0.000 0.976 293 T HN 0.638 nan 8.240 nan 0.000 0.441 294 L N 3.354 124.698 121.223 0.201 0.000 2.305 294 L HA 0.663 5.004 4.340 0.002 0.000 0.281 294 L C -0.123 176.758 176.870 0.018 0.000 1.085 294 L CA -0.487 54.383 54.840 0.049 0.000 0.813 294 L CB 0.569 42.254 42.059 -0.624 0.000 1.157 294 L HN 0.368 nan 8.230 nan 0.000 0.436 295 K N 2.993 123.434 120.400 0.067 0.000 2.183 295 K HA 0.341 4.663 4.320 0.002 0.000 0.274 295 K C 0.808 177.495 176.600 0.145 0.000 1.009 295 K CA -0.306 56.034 56.287 0.088 0.000 0.888 295 K CB 1.454 33.999 32.500 0.074 0.000 1.078 295 K HN 0.564 nan 8.250 nan 0.000 0.459 296 R N 2.167 122.774 120.500 0.179 0.000 2.083 296 R HA -0.111 4.231 4.340 0.002 0.000 0.237 296 R C 0.474 176.896 176.300 0.205 0.000 1.137 296 R CA 2.165 58.416 56.100 0.251 0.000 0.951 296 R CB -0.381 30.029 30.300 0.184 0.000 0.851 296 R HN 0.850 nan 8.270 nan 0.000 0.434 297 D N -1.119 119.359 120.400 0.130 0.000 2.126 297 D HA -0.180 4.461 4.640 0.002 0.000 0.190 297 D C 1.742 178.106 176.300 0.107 0.000 1.001 297 D CA 2.417 56.475 54.000 0.097 0.000 0.841 297 D CB -0.611 40.230 40.800 0.068 0.000 0.949 297 D HN 0.345 nan 8.370 nan 0.000 0.446 298 T N 0.133 114.746 114.554 0.099 0.000 2.788 298 T HA -0.185 4.166 4.350 0.002 0.000 0.268 298 T C 1.702 176.469 174.700 0.112 0.000 1.044 298 T CA 0.626 62.767 62.100 0.069 0.000 1.139 298 T CB -0.487 68.400 68.868 0.032 0.000 0.867 298 T HN 0.032 nan 8.240 nan 0.000 0.454 299 F N 3.080 123.025 119.950 -0.008 0.000 2.046 299 F HA -0.097 4.431 4.527 0.002 0.000 0.297 299 F C 2.420 178.223 175.800 0.005 0.000 1.123 299 F CA 1.046 59.037 58.000 -0.016 0.000 1.199 299 F CB -0.631 38.432 39.000 0.104 0.000 0.972 299 F HN 0.011 nan 8.300 nan 0.000 0.474 300 R N -0.683 119.972 120.500 0.258 0.000 2.096 300 R HA -0.180 4.161 4.340 0.002 0.000 0.240 300 R C 2.400 178.776 176.300 0.128 0.000 1.139 300 R CA 1.667 57.837 56.100 0.117 0.000 0.952 300 R CB -1.219 29.114 30.300 0.056 0.000 0.854 300 R HN 0.214 nan 8.270 nan 0.000 0.436 301 S N 0.066 115.825 115.700 0.098 0.000 2.547 301 S HA -0.081 4.390 4.470 0.002 0.000 0.235 301 S C 1.701 176.322 174.600 0.034 0.000 0.980 301 S CA 0.915 59.150 58.200 0.059 0.000 0.941 301 S CB -0.057 63.167 63.200 0.040 0.000 0.763 301 S HN 0.168 nan 8.310 nan 0.000 0.532 302 R N -0.456 120.046 120.500 0.004 0.000 2.221 302 R HA 0.290 4.631 4.340 0.002 0.000 0.195 302 R C -0.424 175.907 176.300 0.052 0.000 0.956 302 R CA 0.833 56.851 56.100 -0.136 0.000 1.064 302 R CB 0.003 30.009 30.300 -0.490 0.000 1.049 302 R HN 0.268 nan 8.270 nan 0.000 0.534 303 F N 1.801 121.871 119.950 0.200 0.000 2.679 303 F HA 0.450 4.979 4.527 0.002 0.000 0.354 303 F C -1.815 174.025 175.800 0.068 0.000 1.423 303 F CA -3.094 55.002 58.000 0.161 0.000 1.141 303 F CB 1.507 40.686 39.000 0.299 0.000 1.168 303 F HN -0.019 nan 8.300 nan 0.000 0.530 304 P HA -0.175 nan 4.420 nan 0.000 0.223 304 P C 0.539 177.885 177.300 0.077 0.000 1.144 304 P CA 0.981 64.147 63.100 0.110 0.000 0.783 304 P CB 0.281 32.033 31.700 0.087 0.000 0.771 305 N N 0.774 119.529 118.700 0.092 0.000 2.968 305 N HA 0.024 4.765 4.740 0.002 0.000 0.271 305 N C 1.201 176.719 175.510 0.013 0.000 1.174 305 N CA -0.259 52.816 53.050 0.041 0.000 1.096 305 N CB -0.359 38.148 38.487 0.032 0.000 1.403 305 N HN -0.191 nan 8.380 nan 0.000 0.522 306 L N 2.894 124.119 121.223 0.003 0.000 2.034 306 L HA -0.256 4.086 4.340 0.002 0.000 0.217 306 L C 2.215 179.082 176.870 -0.005 0.000 1.077 306 L CA 1.599 56.431 54.840 -0.013 0.000 0.769 306 L CB -1.171 40.874 42.059 -0.023 0.000 0.890 306 L HN 0.617 nan 8.230 nan 0.000 0.435 307 N N 0.051 118.750 118.700 -0.002 0.000 2.096 307 N HA -0.277 4.464 4.740 0.002 0.000 0.195 307 N C 1.665 177.182 175.510 0.012 0.000 1.017 307 N CA 2.105 55.158 53.050 0.005 0.000 0.870 307 N CB -0.042 38.448 38.487 0.005 0.000 1.024 307 N HN 0.583 nan 8.380 nan 0.000 0.434 308 E N 0.114 120.307 120.200 -0.012 0.000 2.204 308 E HA -0.101 4.250 4.350 0.002 0.000 0.195 308 E C 2.101 178.708 176.600 0.012 0.000 0.990 308 E CA 0.563 56.944 56.400 -0.032 0.000 0.821 308 E CB 0.034 29.660 29.700 -0.124 0.000 0.750 308 E HN 0.455 nan 8.360 nan 0.000 0.477 309 L N 0.754 121.993 121.223 0.027 0.000 2.131 309 L HA -0.025 4.316 4.340 0.002 0.000 0.206 309 L C 0.734 177.743 176.870 0.232 0.000 1.087 309 L CA -0.019 54.893 54.840 0.120 0.000 0.767 309 L CB -0.067 42.054 42.059 0.104 0.000 0.917 309 L HN -0.062 nan 8.230 nan 0.000 0.441 310 V N 1.871 121.862 119.914 0.127 0.000 2.717 310 V HA -0.082 4.039 4.120 0.002 0.000 0.302 310 V C 1.315 177.431 176.094 0.036 0.000 1.097 310 V CA 1.318 63.665 62.300 0.079 0.000 1.262 310 V CB -0.776 31.070 31.823 0.038 0.000 0.846 310 V HN 0.708 nan 8.190 nan 0.000 0.485 311 G N 3.123 111.934 108.800 0.019 0.000 2.225 311 G HA2 -0.232 3.729 3.960 0.002 0.000 0.264 311 G HA3 -0.232 3.729 3.960 0.002 0.000 0.264 311 G C -0.206 174.562 174.900 -0.220 0.000 1.060 311 G CA 0.517 45.576 45.100 -0.068 0.000 0.833 311 G HN 0.995 nan 8.290 nan 0.000 0.498 312 H N -0.988 118.176 119.070 0.156 0.000 3.196 312 H HA 0.832 5.389 4.556 0.002 0.000 0.303 312 H C 0.401 175.816 175.328 0.145 0.000 1.605 312 H CA 0.010 56.139 56.048 0.134 0.000 1.351 312 H CB 1.616 31.427 29.762 0.082 0.000 1.860 312 H HN 0.392 nan 8.280 nan 0.000 0.697 313 T N 0.082 114.790 114.554 0.258 0.000 2.893 313 T HA 0.449 4.800 4.350 0.002 0.000 0.293 313 T C -1.208 173.555 174.700 0.105 0.000 1.027 313 T CA -0.876 61.301 62.100 0.129 0.000 0.988 313 T CB 1.470 70.359 68.868 0.034 0.000 1.043 313 T HN 0.227 nan 8.240 nan 0.000 0.461 314 L N 3.955 125.231 121.223 0.087 0.000 2.275 314 L HA 0.614 4.955 4.340 0.002 0.000 0.288 314 L C -1.068 175.790 176.870 -0.021 0.000 1.046 314 L CA -0.860 53.947 54.840 -0.054 0.000 0.805 314 L CB 0.098 42.120 42.059 -0.062 0.000 1.193 314 L HN 0.788 nan 8.230 nan 0.000 0.426 315 Y N 3.527 123.802 120.300 -0.042 0.000 2.446 315 Y HA 0.860 5.411 4.550 0.002 0.000 0.345 315 Y C -0.748 175.177 175.900 0.042 0.000 0.984 315 Y CA -2.317 55.772 58.100 -0.018 0.000 1.058 315 Y CB 1.132 39.596 38.460 0.006 0.000 1.220 315 Y HN 0.696 nan 8.280 nan 0.000 0.455 316 A N 2.899 125.930 122.820 0.351 0.000 2.394 316 A HA 0.519 4.840 4.320 0.002 0.000 0.333 316 A C -0.523 177.121 177.584 0.101 0.000 1.397 316 A CA -0.664 51.563 52.037 0.316 0.000 0.884 316 A CB -0.109 19.043 19.000 0.253 0.000 1.147 316 A HN 0.728 nan 8.150 nan 0.000 0.505 317 S N 1.474 117.212 115.700 0.064 0.000 2.429 317 S HA 0.282 4.753 4.470 0.002 0.000 0.292 317 S C -0.143 174.395 174.600 -0.102 0.000 1.183 317 S CA 0.045 58.211 58.200 -0.057 0.000 1.088 317 S CB 0.021 63.199 63.200 -0.036 0.000 1.018 317 S HN 0.713 nan 8.310 nan 0.000 0.511 318 V N 5.862 125.722 119.914 -0.090 0.000 2.384 318 V HA 0.537 4.658 4.120 0.002 0.000 0.287 318 V C -0.237 175.816 176.094 -0.068 0.000 1.020 318 V CA -0.182 62.056 62.300 -0.104 0.000 0.850 318 V CB 1.989 33.752 31.823 -0.099 0.000 0.987 318 V HN 0.815 nan 8.190 nan 0.000 0.436 319 T N 5.794 120.315 114.554 -0.054 0.000 2.792 319 T HA 0.578 4.929 4.350 0.002 0.000 0.280 319 T C -0.820 173.832 174.700 -0.080 0.000 0.990 319 T CA -0.291 61.794 62.100 -0.025 0.000 0.960 319 T CB 1.615 70.537 68.868 0.090 0.000 0.939 319 T HN 0.509 nan 8.240 nan 0.000 0.439 320 V N 4.388 124.273 119.914 -0.049 0.000 2.864 320 V HA 0.821 4.942 4.120 0.002 0.000 0.314 320 V C -1.113 175.002 176.094 0.036 0.000 1.073 320 V CA -1.074 61.205 62.300 -0.035 0.000 0.956 320 V CB 2.105 33.963 31.823 0.058 0.000 1.023 320 V HN 0.954 nan 8.190 nan 0.000 0.435 321 M N 4.328 123.897 119.600 -0.052 0.000 2.224 321 M HA 0.386 4.867 4.480 0.002 0.000 0.281 321 M C -0.408 175.833 176.300 -0.098 0.000 1.025 321 M CA -0.230 55.047 55.300 -0.039 0.000 0.954 321 M CB 1.963 34.513 32.600 -0.085 0.000 1.639 321 M HN 0.788 nan 8.290 nan 0.000 0.461 322 T N 1.660 116.119 114.554 -0.159 0.000 2.937 322 T HA 0.029 4.380 4.350 0.002 0.000 0.316 322 T C 1.152 175.829 174.700 -0.037 0.000 1.079 322 T CA 0.656 62.626 62.100 -0.216 0.000 1.131 322 T CB 0.646 69.381 68.868 -0.223 0.000 1.000 322 T HN 0.865 nan 8.240 nan 0.000 0.549 323 E N 2.541 122.739 120.200 -0.004 0.000 2.204 323 E HA -0.098 4.253 4.350 0.002 0.000 0.195 323 E C 1.923 178.584 176.600 0.101 0.000 0.990 323 E CA 1.578 58.030 56.400 0.087 0.000 0.821 323 E CB -0.453 29.301 29.700 0.090 0.000 0.750 323 E HN 0.585 nan 8.360 nan 0.000 0.477 324 S N -0.531 115.211 115.700 0.070 0.000 2.603 324 S HA 0.144 4.615 4.470 0.002 0.000 0.229 324 S C 1.855 176.500 174.600 0.074 0.000 0.972 324 S CA 0.362 58.603 58.200 0.068 0.000 0.935 324 S CB -0.585 62.652 63.200 0.063 0.000 0.769 324 S HN 0.758 nan 8.310 nan 0.000 0.536 325 G N 1.005 109.855 108.800 0.084 0.000 2.212 325 G HA2 -0.403 3.559 3.960 0.002 0.000 0.266 325 G HA3 -0.403 3.559 3.960 0.002 0.000 0.266 325 G C 1.124 176.086 174.900 0.103 0.000 0.978 325 G CA 1.116 46.275 45.100 0.098 0.000 0.632 325 G HN 1.181 nan 8.290 nan 0.000 0.537 326 S N -0.238 115.511 115.700 0.082 0.000 2.374 326 S HA 0.155 4.626 4.470 0.002 0.000 0.207 326 S C 0.772 175.420 174.600 0.080 0.000 1.042 326 S CA 1.504 59.753 58.200 0.082 0.000 1.034 326 S CB 0.037 63.288 63.200 0.085 0.000 1.018 326 S HN 0.359 nan 8.310 nan 0.000 0.419 327 D N 0.814 121.259 120.400 0.074 0.000 2.326 327 D HA 0.587 5.228 4.640 0.002 0.000 0.248 327 D C -0.421 175.967 176.300 0.148 0.000 1.001 327 D CA -0.379 53.686 54.000 0.107 0.000 0.961 327 D CB 1.644 42.532 40.800 0.147 0.000 1.183 327 D HN 0.543 nan 8.370 nan 0.000 0.502 328 M N 1.433 121.141 119.600 0.181 0.000 2.333 328 M HA 0.346 4.827 4.480 0.002 0.000 0.286 328 M C -2.112 174.227 176.300 0.065 0.000 1.113 328 M CA -0.729 54.677 55.300 0.176 0.000 0.959 328 M CB 1.292 33.929 32.600 0.062 0.000 1.776 328 M HN 0.191 nan 8.290 nan 0.000 0.492 329 V N 2.581 122.490 119.914 -0.008 0.000 2.919 329 V HA 0.988 5.109 4.120 0.002 0.000 0.316 329 V C -0.994 175.033 176.094 -0.112 0.000 1.077 329 V CA -0.433 61.756 62.300 -0.186 0.000 0.977 329 V CB 1.702 33.212 31.823 -0.521 0.000 1.039 329 V HN 0.986 nan 8.190 nan 0.000 0.441 330 V N 0.703 120.557 119.914 -0.100 0.000 2.760 330 V HA 1.011 5.132 4.120 0.002 0.000 0.309 330 V C -0.180 175.861 176.094 -0.088 0.000 1.077 330 V CA 0.423 62.682 62.300 -0.068 0.000 0.910 330 V CB 0.921 32.725 31.823 -0.031 0.000 1.008 330 V HN 1.490 nan 8.190 nan 0.000 0.424 331 T N 0.375 114.875 114.554 -0.090 0.000 2.626 331 T HA 0.770 5.121 4.350 0.002 0.000 0.299 331 T C -1.021 173.628 174.700 -0.086 0.000 1.181 331 T CA -0.501 61.544 62.100 -0.092 0.000 1.053 331 T CB 2.213 71.018 68.868 -0.105 0.000 1.566 331 T HN 1.125 nan 8.240 nan 0.000 0.486 332 E N 0.380 120.530 120.200 -0.082 0.000 2.307 332 E HA 0.333 4.685 4.350 0.002 0.000 0.280 332 E C -1.448 175.126 176.600 -0.043 0.000 0.900 332 E CA -0.572 55.784 56.400 -0.074 0.000 0.790 332 E CB 1.867 31.493 29.700 -0.123 0.000 1.261 332 E HN 0.505 nan 8.360 nan 0.000 0.405 333 Q N 2.789 122.580 119.800 -0.016 0.000 2.301 333 Q HA 0.144 4.485 4.340 0.002 0.000 0.262 333 Q C -0.967 175.052 176.000 0.033 0.000 1.168 333 Q CA 0.219 56.022 55.803 0.000 0.000 0.908 333 Q CB 0.273 29.005 28.738 -0.009 0.000 1.348 333 Q HN 0.475 nan 8.270 nan 0.000 0.441 334 S N 1.724 117.438 115.700 0.024 0.000 2.681 334 S HA 0.776 5.247 4.470 0.002 0.000 0.299 334 S C 0.738 175.363 174.600 0.041 0.000 1.113 334 S CA -0.278 57.950 58.200 0.048 0.000 1.013 334 S CB 1.583 64.792 63.200 0.015 0.000 1.076 334 S HN 1.217 nan 8.310 nan 0.000 0.534 335 G N 0.335 109.155 108.800 0.033 0.000 2.179 335 G HA2 -0.199 3.762 3.960 0.002 0.000 0.257 335 G HA3 -0.199 3.762 3.960 0.002 0.000 0.257 335 G C 0.003 174.881 174.900 -0.036 0.000 1.010 335 G CA 0.080 45.152 45.100 -0.046 0.000 0.736 335 G HN 0.692 nan 8.290 nan 0.000 0.513 336 I N 1.523 122.128 120.570 0.059 0.000 2.598 336 I HA 0.145 4.316 4.170 0.002 0.000 0.284 336 I C 0.943 177.137 176.117 0.128 0.000 1.140 336 I CA -0.419 60.970 61.300 0.148 0.000 1.420 336 I CB 0.126 38.305 38.000 0.298 0.000 1.387 336 I HN 0.120 nan 8.210 nan 0.000 0.553 337 H N 6.833 126.013 119.070 0.183 0.000 2.525 337 H HA 0.431 4.988 4.556 0.002 0.000 0.339 337 H C -0.074 175.381 175.328 0.212 0.000 1.109 337 H CA -0.393 55.760 56.048 0.174 0.000 1.352 337 H CB 1.628 31.467 29.762 0.129 0.000 1.461 337 H HN 0.426 nan 8.280 nan 0.000 0.533 338 I N 2.015 122.817 120.570 0.386 0.000 2.355 338 I HA 0.501 4.673 4.170 0.002 0.000 0.288 338 I C 0.133 176.371 176.117 0.201 0.000 0.999 338 I CA -0.790 60.707 61.300 0.329 0.000 1.163 338 I CB 1.030 39.272 38.000 0.403 0.000 1.316 338 I HN 0.240 nan 8.210 nan 0.000 0.454 339 V N 2.504 122.482 119.914 0.106 0.000 3.121 339 V HA 0.770 4.892 4.120 0.002 0.000 0.308 339 V C 0.496 176.595 176.094 0.009 0.000 1.492 339 V CA 0.017 62.337 62.300 0.033 0.000 1.034 339 V CB 1.314 33.128 31.823 -0.015 0.000 1.066 339 V HN 0.694 nan 8.190 nan 0.000 0.472 340 A N 0.529 123.328 122.820 -0.034 0.000 2.030 340 A HA 0.518 4.840 4.320 0.002 0.000 0.215 340 A C 1.311 178.839 177.584 -0.093 0.000 1.164 340 A CA 1.078 53.068 52.037 -0.079 0.000 0.697 340 A CB -0.590 18.354 19.000 -0.094 0.000 0.827 340 A HN 1.946 nan 8.150 nan 0.000 0.457 341 S N -1.266 114.380 115.700 -0.090 0.000 2.503 341 S HA 0.582 5.053 4.470 0.002 0.000 0.301 341 S C -2.397 172.050 174.600 -0.255 0.000 1.087 341 S CA -1.292 56.845 58.200 -0.106 0.000 1.042 341 S CB 1.964 65.121 63.200 -0.072 0.000 1.043 341 S HN -0.017 nan 8.310 nan 0.000 0.489 342 P HA 0.192 nan 4.420 nan 0.000 0.227 342 P C -0.732 176.241 177.300 -0.545 0.000 1.161 342 P CA 0.893 63.682 63.100 -0.518 0.000 0.788 342 P CB -0.078 31.502 31.700 -0.201 0.000 0.822 343 Y N -2.251 118.005 120.300 -0.072 0.000 2.876 343 Y HA 0.659 5.210 4.550 0.002 0.000 0.317 343 Y C 0.228 176.048 175.900 -0.133 0.000 1.369 343 Y CA -0.930 57.118 58.100 -0.086 0.000 1.101 343 Y CB 0.946 39.343 38.460 -0.105 0.000 1.346 343 Y HN -0.438 nan 8.280 nan 0.000 0.505 344 Q N 1.915 121.723 119.800 0.013 0.000 2.295 344 Q HA 0.458 4.799 4.340 0.002 0.000 0.268 344 Q C -1.475 174.325 176.000 -0.332 0.000 1.010 344 Q CA -0.498 55.190 55.803 -0.193 0.000 0.856 344 Q CB 3.005 31.594 28.738 -0.248 0.000 1.349 344 Q HN 0.699 nan 8.270 nan 0.000 0.412 345 I N -0.414 119.924 120.570 -0.387 0.000 2.493 345 I HA 0.653 4.824 4.170 0.002 0.000 0.298 345 I C -0.764 175.115 176.117 -0.396 0.000 0.998 345 I CA -0.710 60.370 61.300 -0.366 0.000 1.137 345 I CB 1.949 39.776 38.000 -0.288 0.000 1.310 345 I HN 0.447 nan 8.210 nan 0.000 0.445 346 H N 4.690 123.690 119.070 -0.116 0.000 2.877 346 H HA 0.438 4.996 4.556 0.002 0.000 0.347 346 H C -0.668 174.595 175.328 -0.107 0.000 1.042 346 H CA -0.668 55.380 56.048 0.000 0.000 1.276 346 H CB 2.033 31.915 29.762 0.199 0.000 1.681 346 H HN 0.589 nan 8.280 nan 0.000 0.521 347 F N 1.140 121.200 119.950 0.182 0.000 2.202 347 F HA -0.090 4.439 4.527 0.002 0.000 0.266 347 F C 1.822 177.643 175.800 0.035 0.000 1.173 347 F CA 1.260 59.317 58.000 0.094 0.000 1.075 347 F CB -0.606 38.424 39.000 0.051 0.000 1.046 347 F HN 0.599 nan 8.300 nan 0.000 0.531 348 T N 0.065 114.749 114.554 0.218 0.000 3.351 348 T HA -0.327 4.025 4.350 0.002 0.000 0.394 348 T C 0.068 174.716 174.700 -0.085 0.000 0.769 348 T CA 1.532 63.638 62.100 0.010 0.000 2.018 348 T CB -1.579 67.263 68.868 -0.044 0.000 1.710 348 T HN 0.626 nan 8.240 nan 0.000 0.614 349 K N -0.930 119.459 120.400 -0.017 0.000 3.109 349 K HA 0.154 4.475 4.320 0.002 0.000 0.115 349 K C -0.462 176.193 176.600 0.092 0.000 0.976 349 K CA 0.309 56.584 56.287 -0.021 0.000 1.044 349 K CB 0.416 32.893 32.500 -0.039 0.000 0.724 349 K HN 0.412 nan 8.250 nan 0.000 0.350 350 T N 1.015 115.629 114.554 0.100 0.000 3.295 350 T HA 0.368 4.719 4.350 0.002 0.000 0.331 350 T C -3.034 171.752 174.700 0.144 0.000 1.142 350 T CA -1.446 60.742 62.100 0.147 0.000 1.078 350 T CB 1.320 70.326 68.868 0.229 0.000 1.150 350 T HN -0.225 nan 8.240 nan 0.000 0.465 351 P HA 0.286 nan 4.420 nan 0.000 0.266 351 P C -0.071 177.273 177.300 0.074 0.000 1.195 351 P CA -0.196 62.970 63.100 0.109 0.000 0.768 351 P CB 0.501 32.311 31.700 0.184 0.000 0.838 352 K N 1.022 121.302 120.400 -0.200 0.000 2.417 352 K HA 0.170 4.491 4.320 0.002 0.000 0.196 352 K C -0.455 175.890 176.600 -0.425 0.000 1.023 352 K CA 0.320 56.385 56.287 -0.370 0.000 1.122 352 K CB -0.160 32.016 32.500 -0.540 0.000 0.850 352 K HN 0.430 nan 8.250 nan 0.000 0.521 353 Y N -0.385 119.939 120.300 0.040 0.000 2.536 353 Y HA 0.492 5.043 4.550 0.002 0.000 0.347 353 Y C -0.341 175.602 175.900 0.072 0.000 1.000 353 Y CA -2.206 55.878 58.100 -0.027 0.000 1.051 353 Y CB 1.296 39.686 38.460 -0.117 0.000 1.259 353 Y HN -0.058 nan 8.280 nan 0.000 0.468 354 F N -1.092 118.902 119.950 0.073 0.000 2.631 354 F HA 0.826 5.354 4.527 0.002 0.000 0.308 354 F C -1.783 173.973 175.800 -0.072 0.000 1.097 354 F CA -1.709 56.296 58.000 0.009 0.000 0.952 354 F CB 1.494 40.418 39.000 -0.128 0.000 1.307 354 F HN 0.134 nan 8.300 nan 0.000 0.450 355 K N 3.483 123.911 120.400 0.046 0.000 2.292 355 K HA 0.474 4.795 4.320 0.002 0.000 0.270 355 K C -2.801 173.789 176.600 -0.016 0.000 1.062 355 K CA -2.010 54.096 56.287 -0.302 0.000 0.916 355 K CB 0.803 33.123 32.500 -0.300 0.000 1.166 355 K HN 0.290 nan 8.250 nan 0.000 0.458 356 P HA 0.030 nan 4.420 nan 0.000 0.266 356 P C 0.711 178.172 177.300 0.269 0.000 1.195 356 P CA 0.470 63.750 63.100 0.300 0.000 0.768 356 P CB 0.793 32.660 31.700 0.278 0.000 0.838 357 G N 0.828 109.766 108.800 0.230 0.000 2.184 357 G HA2 -0.299 3.662 3.960 0.002 0.000 0.264 357 G HA3 -0.299 3.662 3.960 0.002 0.000 0.264 357 G C 0.016 175.029 174.900 0.188 0.000 0.975 357 G CA 0.245 45.462 45.100 0.195 0.000 0.642 357 G HN 0.516 nan 8.290 nan 0.000 0.536 358 M N 0.319 120.031 119.600 0.187 0.000 2.705 358 M HA 0.641 5.122 4.480 0.002 0.000 0.311 358 M C -2.489 173.899 176.300 0.147 0.000 1.214 358 M CA -2.313 53.087 55.300 0.167 0.000 0.920 358 M CB 1.877 34.561 32.600 0.141 0.000 1.687 358 M HN -0.131 nan 8.290 nan 0.000 0.481 359 P HA 0.103 nan 4.420 nan 0.000 0.281 359 P C -1.957 175.394 177.300 0.085 0.000 1.286 359 P CA 0.056 63.232 63.100 0.127 0.000 0.772 359 P CB -0.056 31.723 31.700 0.131 0.000 0.862 360 Y N 3.850 124.128 120.300 -0.036 0.000 2.327 360 Y HA 0.196 4.747 4.550 0.002 0.000 0.336 360 Y C 0.372 176.247 175.900 -0.041 0.000 1.035 360 Y CA -0.675 57.377 58.100 -0.080 0.000 1.165 360 Y CB 0.944 39.336 38.460 -0.113 0.000 1.181 360 Y HN 0.379 nan 8.280 nan 0.000 0.494 361 E N 7.084 126.825 120.200 -0.764 0.000 2.046 361 E HA 0.283 4.634 4.350 0.002 0.000 0.279 361 E C -1.407 174.713 176.600 -0.800 0.000 0.989 361 E CA -0.841 55.234 56.400 -0.542 0.000 0.798 361 E CB 1.339 30.913 29.700 -0.210 0.000 1.086 361 E HN 0.609 nan 8.360 nan 0.000 0.399 362 L N 3.191 124.157 121.223 -0.430 0.000 2.305 362 L HA 0.271 4.612 4.340 0.002 0.000 0.281 362 L C -0.571 176.281 176.870 -0.029 0.000 1.085 362 L CA 0.356 55.144 54.840 -0.085 0.000 0.813 362 L CB 1.605 43.749 42.059 0.142 0.000 1.157 362 L HN 0.503 nan 8.230 nan 0.000 0.436 363 T N 5.396 119.976 114.554 0.044 0.000 2.912 363 T HA 0.432 4.784 4.350 0.002 0.000 0.326 363 T C -0.644 174.099 174.700 0.072 0.000 1.080 363 T CA -0.433 61.699 62.100 0.053 0.000 1.000 363 T CB 0.555 69.467 68.868 0.073 0.000 1.008 363 T HN 0.519 nan 8.240 nan 0.000 0.473 364 V N 2.465 122.391 119.914 0.020 0.000 2.546 364 V HA 0.624 4.745 4.120 0.002 0.000 0.284 364 V C -0.739 175.385 176.094 0.049 0.000 1.050 364 V CA -0.913 61.358 62.300 -0.048 0.000 0.981 364 V CB 0.648 32.398 31.823 -0.122 0.000 0.990 364 V HN 0.732 nan 8.190 nan 0.000 0.474 365 Y N 3.534 123.774 120.300 -0.099 0.000 2.331 365 Y HA 0.696 5.247 4.550 0.002 0.000 0.334 365 Y C -0.520 175.349 175.900 -0.050 0.000 0.960 365 Y CA -0.907 57.178 58.100 -0.026 0.000 1.130 365 Y CB 2.008 40.499 38.460 0.052 0.000 1.164 365 Y HN 0.569 nan 8.280 nan 0.000 0.458 366 V N 6.353 126.041 119.914 -0.377 0.000 2.284 366 V HA 0.222 4.344 4.120 0.002 0.000 0.274 366 V C -0.049 175.861 176.094 -0.308 0.000 1.023 366 V CA -0.626 61.499 62.300 -0.291 0.000 0.808 366 V CB 0.846 32.535 31.823 -0.222 0.000 1.035 366 V HN 0.895 nan 8.190 nan 0.000 0.445 367 T N 1.477 115.893 114.554 -0.231 0.000 2.918 367 T HA 0.276 4.627 4.350 0.002 0.000 0.302 367 T C 0.126 174.812 174.700 -0.023 0.000 1.045 367 T CA -0.390 61.648 62.100 -0.104 0.000 1.114 367 T CB 0.527 69.447 68.868 0.087 0.000 0.965 367 T HN 0.552 nan 8.240 nan 0.000 0.540 368 N N 3.364 122.061 118.700 -0.005 0.000 2.525 368 N HA 0.227 4.968 4.740 0.002 0.000 0.271 368 N C -1.598 173.916 175.510 0.007 0.000 1.194 368 N CA -1.828 51.214 53.050 -0.013 0.000 0.964 368 N CB 0.923 39.399 38.487 -0.019 0.000 1.126 368 N HN 0.407 nan 8.380 nan 0.000 0.452 369 P HA -0.306 nan 4.420 nan 0.000 0.222 369 P C 0.572 177.835 177.300 -0.062 0.000 1.157 369 P CA 1.453 64.501 63.100 -0.085 0.000 0.905 369 P CB 0.052 31.735 31.700 -0.028 0.000 0.792 370 D N -2.066 118.447 120.400 0.188 0.000 2.092 370 D HA -0.121 4.520 4.640 0.002 0.000 0.193 370 D C 1.776 178.187 176.300 0.185 0.000 0.994 370 D CA 2.325 56.510 54.000 0.308 0.000 0.828 370 D CB -1.031 39.916 40.800 0.245 0.000 0.963 370 D HN 0.365 nan 8.370 nan 0.000 0.450 371 G N -0.433 108.448 108.800 0.137 0.000 3.655 371 G HA2 -0.095 3.866 3.960 0.002 0.000 0.219 371 G HA3 -0.095 3.866 3.960 0.002 0.000 0.219 371 G C 0.311 175.290 174.900 0.132 0.000 0.933 371 G CA 0.377 45.565 45.100 0.148 0.000 0.856 371 G HN 0.673 nan 8.290 nan 0.000 0.523 372 S N 1.227 116.982 115.700 0.092 0.000 2.560 372 S HA 0.497 4.968 4.470 0.002 0.000 0.276 372 S C -2.420 172.182 174.600 0.003 0.000 1.350 372 S CA -0.370 57.864 58.200 0.058 0.000 1.024 372 S CB 1.242 64.465 63.200 0.038 0.000 0.864 372 S HN 0.158 nan 8.310 nan 0.000 0.536 373 P HA 0.553 nan 4.420 nan 0.000 0.279 373 P C -1.213 176.021 177.300 -0.111 0.000 1.252 373 P CA -0.508 62.489 63.100 -0.171 0.000 0.811 373 P CB 0.908 32.517 31.700 -0.151 0.000 1.035 374 A N 1.224 123.967 122.820 -0.129 0.000 2.401 374 A HA 0.809 5.130 4.320 0.002 0.000 0.310 374 A C -0.875 176.628 177.584 -0.135 0.000 1.075 374 A CA -0.630 51.373 52.037 -0.055 0.000 0.746 374 A CB 1.334 20.398 19.000 0.106 0.000 1.277 374 A HN 0.517 nan 8.150 nan 0.000 0.425 375 A N 0.270 122.981 122.820 -0.182 0.000 2.350 375 A HA 0.739 5.060 4.320 0.002 0.000 0.318 375 A C 0.188 177.581 177.584 -0.319 0.000 1.132 375 A CA -0.117 51.684 52.037 -0.394 0.000 0.811 375 A CB -0.016 18.555 19.000 -0.716 0.000 1.313 375 A HN 1.670 nan 8.150 nan 0.000 0.454 376 H N -1.932 117.120 119.070 -0.031 0.000 3.047 376 H HA -0.165 4.392 4.556 0.002 0.000 0.263 376 H C -0.213 175.097 175.328 -0.030 0.000 1.168 376 H CA 0.327 56.366 56.048 -0.014 0.000 1.152 376 H CB -2.099 27.672 29.762 0.015 0.000 1.278 376 H HN 0.354 nan 8.280 nan 0.000 0.339 377 V N 1.502 121.377 119.914 -0.065 0.000 2.397 377 V HA 0.168 4.290 4.120 0.002 0.000 0.262 377 V C -1.768 174.247 176.094 -0.132 0.000 1.047 377 V CA -1.308 60.861 62.300 -0.218 0.000 1.003 377 V CB 0.457 31.986 31.823 -0.491 0.000 1.037 377 V HN -0.000 nan 8.190 nan 0.000 0.480 378 P HA 0.391 nan 4.420 nan 0.000 0.275 378 P C -0.595 176.663 177.300 -0.070 0.000 1.228 378 P CA -0.087 62.995 63.100 -0.031 0.000 0.786 378 P CB 1.183 32.891 31.700 0.014 0.000 0.927 379 V N 0.628 120.509 119.914 -0.056 0.000 3.102 379 V HA 0.891 5.013 4.120 0.002 0.000 0.312 379 V C -0.176 175.905 176.094 -0.022 0.000 1.135 379 V CA -1.145 61.120 62.300 -0.059 0.000 1.022 379 V CB 1.968 33.741 31.823 -0.083 0.000 1.056 379 V HN 0.451 nan 8.190 nan 0.000 0.436 380 V N -1.695 118.213 119.914 -0.010 0.000 3.147 380 V HA 0.923 5.045 4.120 0.002 0.000 0.306 380 V C -0.529 175.585 176.094 0.033 0.000 1.209 380 V CA -0.460 61.854 62.300 0.022 0.000 1.023 380 V CB 1.618 33.464 31.823 0.038 0.000 1.059 380 V HN 1.243 nan 8.190 nan 0.000 0.435 381 S N 0.309 116.045 115.700 0.059 0.000 2.733 381 S HA 0.499 4.970 4.470 0.002 0.000 0.294 381 S C 0.329 175.004 174.600 0.124 0.000 1.149 381 S CA -0.358 57.893 58.200 0.085 0.000 1.034 381 S CB 1.733 64.977 63.200 0.074 0.000 1.015 381 S HN 0.940 nan 8.310 nan 0.000 0.486 382 E N 3.386 123.637 120.200 0.086 0.000 2.208 382 E HA 0.097 4.449 4.350 0.002 0.000 0.193 382 E C 2.013 178.548 176.600 -0.109 0.000 0.988 382 E CA 1.065 57.477 56.400 0.020 0.000 0.828 382 E CB -0.263 29.453 29.700 0.027 0.000 0.763 382 E HN 0.678 nan 8.360 nan 0.000 0.478 383 A N -0.006 122.840 122.820 0.044 0.000 2.148 383 A HA -0.154 4.167 4.320 0.002 0.000 0.222 383 A C 1.280 178.834 177.584 -0.050 0.000 1.161 383 A CA 1.312 53.384 52.037 0.057 0.000 0.662 383 A CB -0.518 18.654 19.000 0.287 0.000 0.799 383 A HN 0.370 nan 8.150 nan 0.000 0.466 384 F N -3.958 115.908 119.950 -0.139 0.000 2.899 384 F HA 0.228 4.756 4.527 0.002 0.000 0.337 384 F C 0.515 176.314 175.800 -0.002 0.000 1.129 384 F CA -0.334 57.619 58.000 -0.079 0.000 1.128 384 F CB 0.082 39.073 39.000 -0.015 0.000 1.154 384 F HN 0.334 nan 8.300 nan 0.000 0.531 385 H N 0.261 119.425 119.070 0.156 0.000 2.690 385 H HA -0.200 4.357 4.556 0.002 0.000 0.309 385 H C 0.169 175.561 175.328 0.105 0.000 1.138 385 H CA 0.527 56.632 56.048 0.096 0.000 1.142 385 H CB -1.066 28.729 29.762 0.056 0.000 1.410 385 H HN 0.118 nan 8.280 nan 0.000 0.409 386 S N 0.664 116.496 115.700 0.219 0.000 2.473 386 S HA 0.701 5.173 4.470 0.002 0.000 0.307 386 S C -0.051 174.601 174.600 0.087 0.000 1.094 386 S CA -0.874 57.413 58.200 0.145 0.000 1.070 386 S CB 0.751 64.033 63.200 0.136 0.000 1.019 386 S HN 0.389 nan 8.310 nan 0.000 0.480 387 M N 2.829 122.467 119.600 0.063 0.000 2.631 387 M HA 0.958 5.439 4.480 0.002 0.000 0.288 387 M C -0.069 176.244 176.300 0.022 0.000 1.260 387 M CA -0.950 54.372 55.300 0.038 0.000 0.842 387 M CB 1.753 34.377 32.600 0.039 0.000 1.743 387 M HN 0.661 nan 8.290 nan 0.000 0.461 388 G N 0.093 108.898 108.800 0.009 0.000 2.634 388 G HA2 0.765 4.726 3.960 0.002 0.000 0.309 388 G HA3 0.765 4.726 3.960 0.002 0.000 0.309 388 G C -1.891 173.007 174.900 -0.003 0.000 1.299 388 G CA -0.670 44.433 45.100 0.004 0.000 0.798 388 G HN 0.815 nan 8.290 nan 0.000 0.490 389 T N 0.794 115.348 114.554 -0.000 0.000 3.071 389 T HA 0.555 4.906 4.350 0.002 0.000 0.311 389 T C 0.108 174.802 174.700 -0.009 0.000 1.042 389 T CA -0.429 61.673 62.100 0.003 0.000 1.028 389 T CB 1.166 70.061 68.868 0.044 0.000 1.068 389 T HN 0.893 nan 8.240 nan 0.000 0.451 390 T N 2.394 116.916 114.554 -0.054 0.000 2.791 390 T HA 0.512 4.864 4.350 0.002 0.000 0.323 390 T C 0.450 175.096 174.700 -0.091 0.000 1.082 390 T CA -0.544 61.504 62.100 -0.087 0.000 1.084 390 T CB 0.572 69.350 68.868 -0.151 0.000 0.992 390 T HN 0.443 nan 8.240 nan 0.000 0.547 391 L N -0.518 120.639 121.223 -0.110 0.000 2.305 391 L HA 0.342 4.683 4.340 0.002 0.000 0.261 391 L C 1.848 178.600 176.870 -0.197 0.000 1.100 391 L CA -0.978 53.789 54.840 -0.122 0.000 1.073 391 L CB 0.966 43.010 42.059 -0.025 0.000 1.656 391 L HN 0.696 nan 8.230 nan 0.000 0.536 392 S N 0.212 115.840 115.700 -0.119 0.000 2.488 392 S HA -0.158 4.313 4.470 0.002 0.000 0.246 392 S C 0.632 175.183 174.600 -0.082 0.000 0.992 392 S CA 1.522 59.663 58.200 -0.099 0.000 0.963 392 S CB -0.481 62.705 63.200 -0.024 0.000 0.754 392 S HN 0.747 nan 8.310 nan 0.000 0.519 393 D N -1.470 118.888 120.400 -0.070 0.000 2.514 393 D HA 0.198 4.839 4.640 0.002 0.000 0.225 393 D C 0.940 177.211 176.300 -0.048 0.000 1.159 393 D CA 0.714 54.700 54.000 -0.023 0.000 0.823 393 D CB -0.053 40.763 40.800 0.027 0.000 1.097 393 D HN 0.340 nan 8.370 nan 0.000 0.519 394 G N 0.924 109.650 108.800 -0.125 0.000 2.167 394 G HA2 -0.129 3.833 3.960 0.002 0.000 0.194 394 G HA3 -0.129 3.833 3.960 0.002 0.000 0.194 394 G C 0.119 174.919 174.900 -0.167 0.000 1.027 394 G CA 0.200 45.152 45.100 -0.247 0.000 0.717 394 G HN 0.835 nan 8.290 nan 0.000 0.501 395 T N -2.781 111.756 114.554 -0.028 0.000 2.909 395 T HA 0.965 5.316 4.350 0.002 0.000 0.299 395 T C -0.426 174.278 174.700 0.008 0.000 1.073 395 T CA 0.208 62.341 62.100 0.056 0.000 0.999 395 T CB 2.545 71.506 68.868 0.155 0.000 1.098 395 T HN 1.933 nan 8.240 nan 0.000 0.477 396 A N 1.947 124.772 122.820 0.009 0.000 2.455 396 A HA 0.743 5.064 4.320 0.002 0.000 0.300 396 A C -0.658 176.929 177.584 0.004 0.000 1.040 396 A CA -0.998 51.038 52.037 -0.002 0.000 0.697 396 A CB 1.478 20.465 19.000 -0.020 0.000 1.265 396 A HN 0.833 nan 8.150 nan 0.000 0.407 397 K N 2.196 122.597 120.400 0.003 0.000 2.263 397 K HA 0.453 4.774 4.320 0.002 0.000 0.282 397 K C -1.052 175.541 176.600 -0.013 0.000 1.089 397 K CA -0.004 56.279 56.287 -0.007 0.000 0.907 397 K CB 0.634 33.130 32.500 -0.007 0.000 1.148 397 K HN 0.648 nan 8.250 nan 0.000 0.470 398 L N 5.312 126.522 121.223 -0.021 0.000 2.289 398 L HA 0.395 4.736 4.340 0.002 0.000 0.285 398 L C -0.412 176.436 176.870 -0.036 0.000 1.049 398 L CA -0.823 54.006 54.840 -0.019 0.000 0.804 398 L CB 0.934 42.981 42.059 -0.020 0.000 1.195 398 L HN 0.486 nan 8.230 nan 0.000 0.428 399 I N 4.667 125.229 120.570 -0.014 0.000 2.428 399 I HA 0.329 4.500 4.170 0.002 0.000 0.296 399 I C -0.249 175.876 176.117 0.013 0.000 0.985 399 I CA -0.597 60.697 61.300 -0.010 0.000 1.260 399 I CB 1.741 39.754 38.000 0.021 0.000 1.389 399 I HN 0.326 nan 8.210 nan 0.000 0.484 400 L N 6.167 127.405 121.223 0.024 0.000 2.365 400 L HA 0.434 4.776 4.340 0.002 0.000 0.273 400 L C -0.105 176.871 176.870 0.176 0.000 1.000 400 L CA -0.613 54.261 54.840 0.058 0.000 0.819 400 L CB 1.491 43.448 42.059 -0.170 0.000 1.284 400 L HN 0.449 nan 8.230 nan 0.000 0.418 401 N N 4.762 123.627 118.700 0.275 0.000 2.426 401 N HA 0.423 5.164 4.740 0.002 0.000 0.257 401 N C -0.898 174.729 175.510 0.196 0.000 1.002 401 N CA -0.453 52.717 53.050 0.200 0.000 0.942 401 N CB 2.001 40.579 38.487 0.151 0.000 1.112 401 N HN 0.300 nan 8.380 nan 0.000 0.499 402 I N 2.829 123.483 120.570 0.139 0.000 2.355 402 I HA 0.374 4.545 4.170 0.002 0.000 0.288 402 I C -2.149 174.022 176.117 0.091 0.000 0.999 402 I CA -2.739 58.614 61.300 0.088 0.000 1.163 402 I CB 0.548 38.543 38.000 -0.008 0.000 1.316 402 I HN 0.068 nan 8.210 nan 0.000 0.454 403 P HA -0.075 nan 4.420 nan 0.000 0.267 403 P C 1.052 178.414 177.300 0.105 0.000 1.175 403 P CA 0.223 63.359 63.100 0.060 0.000 0.763 403 P CB 0.974 32.686 31.700 0.021 0.000 0.795 404 L N 2.777 124.061 121.223 0.102 0.000 2.313 404 L HA -0.096 4.245 4.340 0.002 0.000 0.214 404 L C 1.509 178.456 176.870 0.128 0.000 1.119 404 L CA 1.245 56.163 54.840 0.130 0.000 0.809 404 L CB -0.347 41.776 42.059 0.106 0.000 0.933 404 L HN 0.348 nan 8.230 nan 0.000 0.449 405 N N 0.211 118.969 118.700 0.097 0.000 2.398 405 N HA 0.091 4.832 4.740 0.002 0.000 0.188 405 N C 0.568 176.143 175.510 0.109 0.000 1.122 405 N CA 0.508 53.611 53.050 0.088 0.000 0.866 405 N CB -0.569 37.952 38.487 0.056 0.000 0.970 405 N HN 0.207 nan 8.380 nan 0.000 0.462 406 A N 0.018 122.927 122.820 0.148 0.000 2.507 406 A HA 0.172 4.493 4.320 0.002 0.000 0.235 406 A C 0.863 178.603 177.584 0.259 0.000 1.070 406 A CA 0.240 52.399 52.037 0.203 0.000 0.768 406 A CB 0.475 19.619 19.000 0.241 0.000 1.011 406 A HN 0.255 nan 8.150 nan 0.000 0.502 407 Q N -0.022 119.940 119.800 0.269 0.000 2.497 407 Q HA 0.160 4.501 4.340 0.002 0.000 0.201 407 Q C 0.272 176.436 176.000 0.274 0.000 0.724 407 Q CA 0.497 56.416 55.803 0.194 0.000 0.923 407 Q CB 0.044 28.838 28.738 0.094 0.000 1.302 407 Q HN 0.718 nan 8.270 nan 0.000 0.484 408 S N 1.557 117.393 115.700 0.225 0.000 2.584 408 S HA 0.427 4.899 4.470 0.002 0.000 0.273 408 S C -0.352 174.360 174.600 0.186 0.000 1.311 408 S CA -0.281 58.033 58.200 0.191 0.000 1.034 408 S CB 0.809 64.060 63.200 0.086 0.000 0.939 408 S HN 0.190 nan 8.310 nan 0.000 0.513 409 L N 5.001 126.287 121.223 0.104 0.000 2.490 409 L HA 0.475 4.816 4.340 0.002 0.000 0.256 409 L C -2.943 173.859 176.870 -0.113 0.000 1.089 409 L CA -2.259 52.498 54.840 -0.138 0.000 0.916 409 L CB 0.854 42.551 42.059 -0.603 0.000 1.188 409 L HN 0.281 nan 8.230 nan 0.000 0.476 410 P HA 0.398 nan 4.420 nan 0.000 0.282 410 P C -0.836 176.465 177.300 0.002 0.000 1.274 410 P CA 0.118 63.196 63.100 -0.037 0.000 0.770 410 P CB 0.557 32.251 31.700 -0.010 0.000 0.867 411 I N -0.315 120.221 120.570 -0.055 0.000 2.498 411 I HA 0.587 4.758 4.170 0.002 0.000 0.290 411 I C -0.826 175.313 176.117 0.037 0.000 1.032 411 I CA -0.616 60.680 61.300 -0.007 0.000 1.073 411 I CB 2.460 40.398 38.000 -0.102 0.000 1.251 411 I HN 0.011 nan 8.210 nan 0.000 0.426 412 T N 5.417 120.027 114.554 0.095 0.000 2.797 412 T HA 0.620 4.971 4.350 0.002 0.000 0.279 412 T C -0.255 174.530 174.700 0.142 0.000 0.991 412 T CA -0.473 61.701 62.100 0.124 0.000 0.979 412 T CB 2.003 70.918 68.868 0.079 0.000 0.943 412 T HN 0.444 nan 8.240 nan 0.000 0.444 413 V N 3.805 123.825 119.914 0.177 0.000 2.604 413 V HA 0.637 4.758 4.120 0.002 0.000 0.305 413 V C 0.072 176.178 176.094 0.021 0.000 1.043 413 V CA -1.027 61.319 62.300 0.078 0.000 0.888 413 V CB 1.900 33.732 31.823 0.014 0.000 0.995 413 V HN 0.690 nan 8.190 nan 0.000 0.429 414 R N 1.483 121.984 120.500 0.001 0.000 2.803 414 R HA 0.607 4.948 4.340 0.002 0.000 0.276 414 R C -0.411 175.866 176.300 -0.039 0.000 0.978 414 R CA -0.500 55.593 56.100 -0.012 0.000 0.939 414 R CB 2.362 32.667 30.300 0.007 0.000 1.179 414 R HN 0.887 nan 8.270 nan 0.000 0.472 415 T N -0.043 114.480 114.554 -0.051 0.000 3.005 415 T HA 0.224 4.575 4.350 0.002 0.000 0.323 415 T C -0.017 174.652 174.700 -0.052 0.000 1.131 415 T CA -0.629 61.415 62.100 -0.093 0.000 0.977 415 T CB -0.207 68.590 68.868 -0.118 0.000 1.055 415 T HN 0.448 nan 8.240 nan 0.000 0.562 416 N N 2.428 121.108 118.700 -0.034 0.000 2.420 416 N HA 0.304 5.045 4.740 0.002 0.000 0.249 416 N C -1.000 174.542 175.510 0.054 0.000 1.033 416 N CA -0.603 52.454 53.050 0.011 0.000 0.944 416 N CB 0.399 38.891 38.487 0.008 0.000 1.113 416 N HN 0.780 nan 8.380 nan 0.000 0.502 417 H N 2.207 121.253 119.070 -0.039 0.000 2.808 417 H HA 0.269 4.826 4.556 0.002 0.000 0.268 417 H C 1.187 176.526 175.328 0.019 0.000 1.306 417 H CA -0.364 55.671 56.048 -0.022 0.000 1.565 417 H CB 0.331 30.075 29.762 -0.031 0.000 1.632 417 H HN 0.683 nan 8.280 nan 0.000 0.525 418 G N 2.757 111.438 108.800 -0.198 0.000 3.074 418 G HA2 -0.387 3.574 3.960 0.002 0.000 0.225 418 G HA3 -0.387 3.574 3.960 0.002 0.000 0.225 418 G C 0.987 175.805 174.900 -0.137 0.000 1.063 418 G CA 1.484 46.493 45.100 -0.150 0.000 0.702 418 G HN 0.592 nan 8.290 nan 0.000 0.653 419 D N 0.046 120.309 120.400 -0.228 0.000 2.144 419 D HA 0.057 4.698 4.640 0.002 0.000 0.207 419 D C 1.685 178.049 176.300 0.106 0.000 0.970 419 D CA 0.168 54.149 54.000 -0.032 0.000 0.853 419 D CB -0.212 40.604 40.800 0.026 0.000 1.007 419 D HN 0.293 nan 8.370 nan 0.000 0.469 420 L N 1.901 123.257 121.223 0.222 0.000 2.476 420 L HA 0.207 4.548 4.340 0.002 0.000 0.264 420 L C -1.945 174.977 176.870 0.086 0.000 1.224 420 L CA -1.344 53.608 54.840 0.187 0.000 0.821 420 L CB -0.277 41.928 42.059 0.245 0.000 1.101 420 L HN -0.032 nan 8.230 nan 0.000 0.488 421 P HA 0.245 nan 4.420 nan 0.000 0.285 421 P C -0.269 177.027 177.300 -0.007 0.000 1.269 421 P CA -0.827 62.275 63.100 0.002 0.000 0.844 421 P CB 1.090 32.774 31.700 -0.027 0.000 1.094 422 R N 2.981 123.476 120.500 -0.008 0.000 2.097 422 R HA -0.194 4.147 4.340 0.002 0.000 0.236 422 R C 1.417 177.702 176.300 -0.024 0.000 1.135 422 R CA 1.901 57.997 56.100 -0.007 0.000 0.934 422 R CB -2.067 28.229 30.300 -0.006 0.000 0.846 422 R HN 0.554 nan 8.270 nan 0.000 0.431 423 E N 1.164 121.338 120.200 -0.043 0.000 2.331 423 E HA -0.162 4.190 4.350 0.002 0.000 0.199 423 E C 1.748 178.294 176.600 -0.090 0.000 1.008 423 E CA 0.748 57.111 56.400 -0.062 0.000 0.843 423 E CB -0.228 29.429 29.700 -0.071 0.000 0.761 423 E HN 0.225 nan 8.360 nan 0.000 0.507 424 R N 1.067 121.504 120.500 -0.105 0.000 2.070 424 R HA 0.030 4.372 4.340 0.002 0.000 0.227 424 R C 1.138 177.406 176.300 -0.053 0.000 1.147 424 R CA 0.701 56.718 56.100 -0.137 0.000 0.924 424 R CB -0.814 29.401 30.300 -0.141 0.000 0.827 424 R HN 0.417 nan 8.270 nan 0.000 0.431 425 Q N 0.331 120.134 119.800 0.005 0.000 2.379 425 Q HA 0.047 4.388 4.340 0.002 0.000 0.320 425 Q C -0.184 175.823 176.000 0.011 0.000 1.153 425 Q CA 0.230 56.059 55.803 0.043 0.000 0.993 425 Q CB 0.168 28.931 28.738 0.042 0.000 1.265 425 Q HN 0.292 nan 8.270 nan 0.000 0.423 426 A N 1.725 124.556 122.820 0.020 0.000 2.286 426 A HA 0.579 4.900 4.320 0.002 0.000 0.286 426 A C -0.077 177.494 177.584 -0.020 0.000 1.097 426 A CA -0.159 51.873 52.037 -0.009 0.000 0.821 426 A CB 1.637 20.630 19.000 -0.013 0.000 1.076 426 A HN 0.617 nan 8.150 nan 0.000 0.490 427 T N 0.067 114.612 114.554 -0.015 0.000 2.993 427 T HA 0.599 4.950 4.350 0.002 0.000 0.312 427 T C -1.090 173.629 174.700 0.032 0.000 1.115 427 T CA -0.629 61.475 62.100 0.006 0.000 1.027 427 T CB 0.866 69.742 68.868 0.014 0.000 1.116 427 T HN 0.830 nan 8.240 nan 0.000 0.464 428 K N 2.420 122.869 120.400 0.082 0.000 2.527 428 K HA 0.705 5.026 4.320 0.002 0.000 0.260 428 K C -1.424 175.373 176.600 0.329 0.000 0.937 428 K CA -0.662 55.740 56.287 0.192 0.000 0.826 428 K CB 2.219 34.855 32.500 0.227 0.000 1.359 428 K HN 0.608 nan 8.250 nan 0.000 0.434 429 S N 2.711 118.548 115.700 0.228 0.000 2.513 429 S HA 0.706 5.177 4.470 0.002 0.000 0.299 429 S C -1.033 173.478 174.600 -0.148 0.000 1.087 429 S CA -0.875 57.374 58.200 0.082 0.000 1.012 429 S CB 1.253 64.472 63.200 0.032 0.000 1.044 429 S HN 0.639 nan 8.310 nan 0.000 0.485 430 M N 0.583 119.961 119.600 -0.370 0.000 2.569 430 M HA 0.777 5.258 4.480 0.002 0.000 0.279 430 M C -1.315 174.784 176.300 -0.336 0.000 1.253 430 M CA -0.671 54.322 55.300 -0.511 0.000 0.867 430 M CB 2.190 34.120 32.600 -1.117 0.000 1.727 430 M HN 0.506 nan 8.290 nan 0.000 0.467 431 T N -0.207 114.195 114.554 -0.252 0.000 2.886 431 T HA 0.931 5.282 4.350 0.002 0.000 0.292 431 T C -0.858 173.757 174.700 -0.143 0.000 1.012 431 T CA -0.525 61.477 62.100 -0.162 0.000 0.982 431 T CB 1.691 70.506 68.868 -0.088 0.000 1.018 431 T HN 1.123 nan 8.240 nan 0.000 0.451 432 A N 3.701 126.462 122.820 -0.098 0.000 2.365 432 A HA 0.798 5.119 4.320 0.002 0.000 0.318 432 A C -0.109 177.602 177.584 0.212 0.000 1.091 432 A CA -1.081 50.941 52.037 -0.026 0.000 0.763 432 A CB 0.835 19.766 19.000 -0.115 0.000 1.248 432 A HN 0.897 nan 8.150 nan 0.000 0.442 433 I N 1.618 122.289 120.570 0.167 0.000 2.612 433 I HA 0.409 4.580 4.170 0.002 0.000 0.295 433 I C 1.057 177.046 176.117 -0.214 0.000 1.011 433 I CA -0.239 61.136 61.300 0.126 0.000 1.326 433 I CB 1.406 39.518 38.000 0.187 0.000 1.427 433 I HN 0.768 nan 8.210 nan 0.000 0.537 434 A N 4.879 127.326 122.820 -0.623 0.000 2.366 434 A HA 0.171 4.493 4.320 0.002 0.000 0.249 434 A C -0.190 177.158 177.584 -0.394 0.000 1.084 434 A CA -0.113 51.290 52.037 -1.057 0.000 0.794 434 A CB 0.117 18.589 19.000 -0.880 0.000 1.034 434 A HN 0.569 nan 8.150 nan 0.000 0.491 435 Y N 0.233 120.229 120.300 -0.506 0.000 2.452 435 Y HA 0.051 4.602 4.550 0.002 0.000 0.355 435 Y C 0.416 176.212 175.900 -0.174 0.000 1.266 435 Y CA 0.470 58.384 58.100 -0.310 0.000 1.514 435 Y CB 0.420 38.694 38.460 -0.310 0.000 1.363 435 Y HN 0.582 nan 8.280 nan 0.000 0.677 436 Q N 2.329 122.431 119.800 0.504 0.000 3.122 436 Q HA 0.189 4.530 4.340 0.002 0.000 0.282 436 Q C -0.563 175.407 176.000 -0.050 0.000 0.947 436 Q CA -0.338 55.533 55.803 0.114 0.000 0.812 436 Q CB 0.104 28.879 28.738 0.063 0.000 1.333 436 Q HN 0.782 nan 8.270 nan 0.000 0.430 437 T N -0.829 113.581 114.554 -0.240 0.000 2.897 437 T HA -0.137 4.214 4.350 0.002 0.000 0.304 437 T C 0.608 175.216 174.700 -0.154 0.000 1.051 437 T CA 0.112 62.021 62.100 -0.318 0.000 1.132 437 T CB 0.750 69.436 68.868 -0.303 0.000 1.066 437 T HN 0.441 nan 8.240 nan 0.000 0.518 438 Q N 1.640 121.368 119.800 -0.120 0.000 2.269 438 Q HA 0.225 4.566 4.340 0.002 0.000 0.300 438 Q C 1.317 177.264 176.000 -0.089 0.000 1.070 438 Q CA 0.631 56.388 55.803 -0.077 0.000 0.957 438 Q CB -0.455 28.240 28.738 -0.071 0.000 1.131 438 Q HN 1.204 nan 8.270 nan 0.000 0.377 439 G N 3.611 112.369 108.800 -0.070 0.000 2.441 439 G HA2 -0.259 3.702 3.960 0.002 0.000 0.298 439 G HA3 -0.259 3.702 3.960 0.002 0.000 0.298 439 G C 0.810 175.661 174.900 -0.082 0.000 0.949 439 G CA 0.675 45.734 45.100 -0.069 0.000 1.072 439 G HN 1.724 nan 8.290 nan 0.000 0.512 440 G N -0.869 107.878 108.800 -0.087 0.000 2.244 440 G HA2 -0.138 3.823 3.960 0.002 0.000 0.274 440 G HA3 -0.138 3.823 3.960 0.002 0.000 0.274 440 G C 1.937 176.757 174.900 -0.135 0.000 1.002 440 G CA 1.876 46.917 45.100 -0.099 0.000 0.740 440 G HN 2.310 nan 8.290 nan 0.000 0.516 441 S N -0.985 114.624 115.700 -0.152 0.000 2.393 441 S HA 0.018 4.489 4.470 0.002 0.000 0.234 441 S C 2.780 177.249 174.600 -0.218 0.000 1.064 441 S CA 2.229 60.326 58.200 -0.172 0.000 1.088 441 S CB -0.717 62.374 63.200 -0.181 0.000 0.939 441 S HN 2.517 nan 8.310 nan 0.000 0.448 442 G N 0.881 109.486 108.800 -0.325 0.000 2.176 442 G HA2 -0.198 3.763 3.960 0.002 0.000 0.232 442 G HA3 -0.198 3.763 3.960 0.002 0.000 0.232 442 G C -0.244 174.283 174.900 -0.623 0.000 0.986 442 G CA -0.007 44.801 45.100 -0.487 0.000 0.643 442 G HN 0.577 nan 8.290 nan 0.000 0.522 443 N N 1.154 119.603 118.700 -0.418 0.000 2.482 443 N HA 0.473 5.214 4.740 0.002 0.000 0.242 443 N C -0.710 174.744 175.510 -0.093 0.000 1.100 443 N CA 0.148 53.061 53.050 -0.229 0.000 0.946 443 N CB 0.365 38.751 38.487 -0.169 0.000 1.227 443 N HN 0.256 nan 8.380 nan 0.000 0.508 444 Y N 0.884 121.233 120.300 0.081 0.000 2.419 444 Y HA 0.514 5.065 4.550 0.002 0.000 0.328 444 Y C 0.302 176.339 175.900 0.229 0.000 1.162 444 Y CA -1.217 56.943 58.100 0.099 0.000 1.174 444 Y CB 1.115 39.631 38.460 0.094 0.000 1.228 444 Y HN 0.276 nan 8.280 nan 0.000 0.473 445 L N 3.094 124.543 121.223 0.377 0.000 2.409 445 L HA 0.541 4.882 4.340 0.002 0.000 0.272 445 L C -1.751 175.244 176.870 0.208 0.000 0.980 445 L CA -0.515 54.411 54.840 0.142 0.000 0.826 445 L CB 1.379 43.270 42.059 -0.281 0.000 1.268 445 L HN 0.729 nan 8.230 nan 0.000 0.407 446 H N 3.504 122.613 119.070 0.066 0.000 2.667 446 H HA 0.674 5.231 4.556 0.002 0.000 0.353 446 H C -1.768 173.576 175.328 0.027 0.000 1.072 446 H CA -0.613 55.467 56.048 0.053 0.000 1.214 446 H CB 1.970 31.790 29.762 0.097 0.000 1.600 446 H HN 0.520 nan 8.280 nan 0.000 0.527 447 V N 4.799 124.476 119.914 -0.395 0.000 2.378 447 V HA 0.830 4.952 4.120 0.002 0.000 0.288 447 V C -0.738 175.018 176.094 -0.562 0.000 1.016 447 V CA -0.039 62.032 62.300 -0.382 0.000 0.840 447 V CB 0.605 32.270 31.823 -0.263 0.000 0.994 447 V HN 1.041 nan 8.190 nan 0.000 0.431 448 A N 6.996 129.529 122.820 -0.478 0.000 2.292 448 A HA 0.791 5.113 4.320 0.002 0.000 0.319 448 A C -0.716 176.782 177.584 -0.142 0.000 1.206 448 A CA -0.541 51.310 52.037 -0.311 0.000 0.835 448 A CB 1.053 19.927 19.000 -0.209 0.000 1.164 448 A HN 0.878 nan 8.150 nan 0.000 0.505 449 I N 3.544 124.077 120.570 -0.062 0.000 2.330 449 I HA 0.254 4.425 4.170 0.002 0.000 0.286 449 I C 1.559 177.665 176.117 -0.018 0.000 1.025 449 I CA -0.057 61.231 61.300 -0.020 0.000 1.197 449 I CB 0.977 38.996 38.000 0.033 0.000 1.358 449 I HN 0.825 nan 8.210 nan 0.000 0.467 450 T N 2.402 116.939 114.554 -0.029 0.000 2.701 450 T HA 0.007 4.358 4.350 0.002 0.000 0.263 450 T C 1.243 175.934 174.700 -0.016 0.000 1.040 450 T CA 0.666 62.754 62.100 -0.021 0.000 1.147 450 T CB -0.393 68.461 68.868 -0.024 0.000 0.865 450 T HN 0.475 nan 8.240 nan 0.000 0.426 451 S N 1.564 117.251 115.700 -0.022 0.000 2.617 451 S HA 0.478 4.950 4.470 0.002 0.000 0.255 451 S C 0.352 174.935 174.600 -0.028 0.000 1.318 451 S CA -0.050 58.134 58.200 -0.027 0.000 0.978 451 S CB 0.388 63.566 63.200 -0.038 0.000 0.961 451 S HN 0.943 nan 8.310 nan 0.000 0.582 452 T N -1.296 113.236 114.554 -0.036 0.000 2.957 452 T HA 0.471 4.822 4.350 0.002 0.000 0.336 452 T C -1.796 172.875 174.700 -0.049 0.000 1.462 452 T CA -1.053 61.025 62.100 -0.037 0.000 1.073 452 T CB 1.040 69.897 68.868 -0.019 0.000 1.319 452 T HN 0.617 nan 8.240 nan 0.000 0.485 453 E N 1.074 121.238 120.200 -0.061 0.000 2.937 453 E HA -0.146 4.205 4.350 0.002 0.000 0.152 453 E C -0.827 175.717 176.600 -0.093 0.000 1.769 453 E CA 0.304 56.662 56.400 -0.070 0.000 0.688 453 E CB -1.202 28.471 29.700 -0.044 0.000 1.091 453 E HN 0.719 nan 8.360 nan 0.000 0.362 454 I N 2.779 123.268 120.570 -0.136 0.000 2.328 454 I HA 0.163 4.334 4.170 0.002 0.000 0.287 454 I C 0.546 176.546 176.117 -0.194 0.000 1.012 454 I CA -0.558 60.642 61.300 -0.167 0.000 1.195 454 I CB 0.751 38.623 38.000 -0.214 0.000 1.350 454 I HN 0.064 nan 8.210 nan 0.000 0.464 455 K N 7.192 127.497 120.400 -0.159 0.000 2.201 455 K HA 0.471 4.792 4.320 0.002 0.000 0.278 455 K C -2.619 173.869 176.600 -0.185 0.000 1.027 455 K CA -1.900 54.293 56.287 -0.157 0.000 0.909 455 K CB 0.420 32.854 32.500 -0.109 0.000 1.062 455 K HN 0.169 nan 8.250 nan 0.000 0.465 456 P HA -0.078 nan 4.420 nan 0.000 0.265 456 P C 0.653 177.837 177.300 -0.194 0.000 1.187 456 P CA 0.821 63.788 63.100 -0.220 0.000 0.766 456 P CB 0.483 32.072 31.700 -0.186 0.000 0.820 457 G N 0.897 109.536 108.800 -0.268 0.000 2.143 457 G HA2 -0.183 3.778 3.960 0.002 0.000 0.249 457 G HA3 -0.183 3.778 3.960 0.002 0.000 0.249 457 G C -0.028 174.746 174.900 -0.210 0.000 0.981 457 G CA -0.277 44.679 45.100 -0.239 0.000 0.665 457 G HN 0.503 nan 8.290 nan 0.000 0.528 458 D N 0.145 120.399 120.400 -0.244 0.000 2.312 458 D HA 0.421 5.063 4.640 0.002 0.000 0.248 458 D C 0.014 176.226 176.300 -0.147 0.000 1.086 458 D CA -0.371 53.534 54.000 -0.159 0.000 0.948 458 D CB 0.570 41.284 40.800 -0.144 0.000 1.162 458 D HN 0.038 nan 8.370 nan 0.000 0.446 459 N N 1.396 120.069 118.700 -0.045 0.000 2.546 459 N HA 0.273 5.015 4.740 0.002 0.000 0.238 459 N C -0.845 174.649 175.510 -0.028 0.000 0.984 459 N CA -0.391 52.660 53.050 0.001 0.000 0.935 459 N CB 0.686 39.202 38.487 0.048 0.000 1.122 459 N HN 0.335 nan 8.380 nan 0.000 0.510 460 L N 1.934 123.131 121.223 -0.044 0.000 2.341 460 L HA 0.839 5.180 4.340 0.002 0.000 0.278 460 L C -2.685 174.157 176.870 -0.046 0.000 1.005 460 L CA -1.814 52.998 54.840 -0.046 0.000 0.818 460 L CB 2.648 44.675 42.059 -0.054 0.000 1.259 460 L HN 0.181 nan 8.230 nan 0.000 0.418 461 P HA 0.197 nan 4.420 nan 0.000 0.290 461 P C -1.155 176.099 177.300 -0.076 0.000 1.276 461 P CA -0.363 62.705 63.100 -0.054 0.000 0.808 461 P CB 2.340 34.016 31.700 -0.039 0.000 0.966 462 V N 4.143 123.987 119.914 -0.116 0.000 2.417 462 V HA 0.355 4.476 4.120 0.002 0.000 0.291 462 V C -0.419 175.484 176.094 -0.319 0.000 1.024 462 V CA -0.795 61.408 62.300 -0.161 0.000 0.861 462 V CB 1.064 32.856 31.823 -0.053 0.000 0.985 462 V HN 0.446 nan 8.190 nan 0.000 0.436 463 N N 5.481 124.019 118.700 -0.269 0.000 2.434 463 N HA 0.396 5.137 4.740 0.002 0.000 0.272 463 N C -1.072 174.265 175.510 -0.288 0.000 1.040 463 N CA -0.069 52.842 53.050 -0.230 0.000 0.956 463 N CB 1.028 39.449 38.487 -0.110 0.000 1.108 463 N HN 0.472 nan 8.380 nan 0.000 0.481 464 F N 1.466 121.368 119.950 -0.081 0.000 2.391 464 F HA 0.342 4.870 4.527 0.001 0.000 0.359 464 F C 0.624 176.430 175.800 0.009 0.000 1.122 464 F CA -0.947 56.962 58.000 -0.151 0.000 1.120 464 F CB 0.256 39.164 39.000 -0.154 0.000 1.142 464 F HN 0.241 nan 8.300 nan 0.000 0.483 465 N N 2.112 120.932 118.700 0.201 0.000 2.342 465 N HA 0.705 5.446 4.740 0.002 0.000 0.293 465 N C -1.304 174.349 175.510 0.239 0.000 1.026 465 N CA -0.589 52.582 53.050 0.202 0.000 0.857 465 N CB 2.167 40.752 38.487 0.163 0.000 1.256 465 N HN 0.281 nan 8.380 nan 0.000 0.484 466 V N -0.464 119.609 119.914 0.266 0.000 3.001 466 V HA 0.697 4.818 4.120 0.002 0.000 0.314 466 V C -0.471 175.774 176.094 0.251 0.000 1.099 466 V CA -0.830 61.647 62.300 0.294 0.000 0.989 466 V CB 2.006 34.041 31.823 0.354 0.000 1.040 466 V HN 0.603 nan 8.190 nan 0.000 0.434 467 K N 0.019 120.575 120.400 0.260 0.000 2.562 467 K HA 0.691 5.012 4.320 0.002 0.000 0.267 467 K C -0.127 176.521 176.600 0.079 0.000 0.938 467 K CA 0.334 56.728 56.287 0.179 0.000 0.840 467 K CB 2.072 34.706 32.500 0.223 0.000 1.390 467 K HN 1.722 nan 8.250 nan 0.000 0.428 468 G N 2.289 111.102 108.800 0.022 0.000 2.253 468 G HA2 -0.193 3.768 3.960 0.002 0.000 0.190 468 G HA3 -0.193 3.768 3.960 0.002 0.000 0.190 468 G C -1.144 173.718 174.900 -0.064 0.000 1.274 468 G CA -0.336 44.728 45.100 -0.061 0.000 1.275 468 G HN 0.770 nan 8.290 nan 0.000 0.518 469 N N 1.892 120.530 118.700 -0.104 0.000 2.417 469 N HA 0.294 5.035 4.740 0.002 0.000 0.272 469 N C 1.660 177.121 175.510 -0.082 0.000 1.304 469 N CA 0.943 53.936 53.050 -0.096 0.000 0.906 469 N CB 0.919 39.334 38.487 -0.120 0.000 1.135 469 N HN 1.111 nan 8.380 nan 0.000 0.483 470 A N 5.168 127.952 122.820 -0.061 0.000 1.912 470 A HA -0.314 4.007 4.320 0.002 0.000 0.217 470 A C 1.605 179.149 177.584 -0.067 0.000 1.309 470 A CA 2.068 54.074 52.037 -0.052 0.000 0.726 470 A CB -0.927 18.049 19.000 -0.040 0.000 0.840 470 A HN 0.972 nan 8.150 nan 0.000 0.473 471 N N -0.162 118.498 118.700 -0.068 0.000 2.617 471 N HA -0.031 4.710 4.740 0.002 0.000 0.198 471 N C 1.164 176.614 175.510 -0.100 0.000 1.317 471 N CA 1.101 54.105 53.050 -0.076 0.000 0.892 471 N CB 0.085 38.533 38.487 -0.065 0.000 1.041 471 N HN 0.432 nan 8.380 nan 0.000 0.450 472 S N 0.788 116.418 115.700 -0.117 0.000 2.433 472 S HA 0.211 4.682 4.470 0.002 0.000 0.216 472 S C 1.876 176.366 174.600 -0.183 0.000 1.031 472 S CA -0.309 57.795 58.200 -0.160 0.000 0.931 472 S CB -0.119 62.977 63.200 -0.174 0.000 0.875 472 S HN 0.257 nan 8.310 nan 0.000 0.553 473 L N 2.012 123.143 121.223 -0.153 0.000 2.127 473 L HA -0.126 4.215 4.340 0.002 0.000 0.211 473 L C 2.469 179.262 176.870 -0.129 0.000 1.089 473 L CA 1.471 56.226 54.840 -0.141 0.000 0.757 473 L CB -0.785 41.238 42.059 -0.060 0.000 0.899 473 L HN 0.362 nan 8.230 nan 0.000 0.434 474 K N 1.541 121.877 120.400 -0.106 0.000 2.107 474 K HA -0.246 4.075 4.320 0.002 0.000 0.211 474 K C 1.290 177.822 176.600 -0.114 0.000 1.049 474 K CA 2.131 58.363 56.287 -0.092 0.000 0.927 474 K CB -0.063 32.390 32.500 -0.079 0.000 0.714 474 K HN 0.577 nan 8.250 nan 0.000 0.452 475 Q N 0.364 120.075 119.800 -0.147 0.000 2.526 475 Q HA 0.231 4.572 4.340 0.002 0.000 0.353 475 Q C -0.724 175.138 176.000 -0.231 0.000 0.977 475 Q CA -0.281 55.422 55.803 -0.167 0.000 1.027 475 Q CB 0.220 28.863 28.738 -0.158 0.000 1.272 475 Q HN 0.116 nan 8.270 nan 0.000 0.420 476 I N 1.729 122.156 120.570 -0.238 0.000 2.395 476 I HA 0.160 4.332 4.170 0.002 0.000 0.282 476 I C 0.022 175.947 176.117 -0.319 0.000 1.107 476 I CA -0.382 60.733 61.300 -0.308 0.000 1.210 476 I CB 0.690 38.518 38.000 -0.287 0.000 1.456 476 I HN 0.059 nan 8.210 nan 0.000 0.504 477 K N 4.861 125.042 120.400 -0.365 0.000 2.186 477 K HA 0.117 4.438 4.320 0.002 0.000 0.202 477 K C -0.791 175.704 176.600 -0.176 0.000 1.052 477 K CA 0.979 57.109 56.287 -0.262 0.000 0.965 477 K CB -0.039 32.338 32.500 -0.206 0.000 0.746 477 K HN 0.549 nan 8.250 nan 0.000 0.457 478 Y N -2.711 117.507 120.300 -0.136 0.000 2.436 478 Y HA 0.506 5.057 4.550 0.002 0.000 0.327 478 Y C -1.124 174.703 175.900 -0.122 0.000 1.138 478 Y CA -2.493 55.532 58.100 -0.124 0.000 1.042 478 Y CB -0.033 38.403 38.460 -0.040 0.000 1.302 478 Y HN -0.303 nan 8.280 nan 0.000 0.439 479 F N 2.027 122.016 119.950 0.065 0.000 2.412 479 F HA 0.568 5.096 4.527 0.002 0.000 0.348 479 F C 0.615 176.298 175.800 -0.195 0.000 1.102 479 F CA -0.226 57.675 58.000 -0.164 0.000 1.196 479 F CB 1.661 40.349 39.000 -0.520 0.000 1.144 479 F HN 0.582 nan 8.300 nan 0.000 0.541 480 T N 5.123 119.635 114.554 -0.070 0.000 2.794 480 T HA 0.441 4.792 4.350 0.002 0.000 0.280 480 T C -0.961 173.573 174.700 -0.277 0.000 0.987 480 T CA -0.413 61.512 62.100 -0.291 0.000 0.993 480 T CB 0.410 68.975 68.868 -0.506 0.000 0.939 480 T HN 0.453 nan 8.240 nan 0.000 0.449 481 Y N 2.604 122.859 120.300 -0.075 0.000 2.462 481 Y HA 0.801 5.352 4.550 0.002 0.000 0.346 481 Y C -1.208 174.728 175.900 0.059 0.000 0.976 481 Y CA -1.858 56.269 58.100 0.044 0.000 1.044 481 Y CB 1.049 39.773 38.460 0.439 0.000 1.230 481 Y HN 0.315 nan 8.280 nan 0.000 0.455 482 L N 3.010 124.384 121.223 0.252 0.000 2.370 482 L HA 0.654 4.996 4.340 0.002 0.000 0.266 482 L C -1.006 175.874 176.870 0.017 0.000 1.002 482 L CA -2.525 52.371 54.840 0.094 0.000 0.818 482 L CB 1.320 43.432 42.059 0.088 0.000 1.325 482 L HN 0.692 nan 8.230 nan 0.000 0.418 483 I N 2.744 123.244 120.570 -0.117 0.000 2.354 483 I HA 0.521 4.692 4.170 0.002 0.000 0.292 483 I C -0.410 175.712 176.117 0.009 0.000 0.989 483 I CA -0.514 60.690 61.300 -0.160 0.000 1.188 483 I CB 1.568 39.379 38.000 -0.315 0.000 1.342 483 I HN 0.511 nan 8.210 nan 0.000 0.457 484 L N 6.037 127.280 121.223 0.034 0.000 2.330 484 L HA 0.616 4.957 4.340 0.002 0.000 0.271 484 L C -0.137 176.827 176.870 0.157 0.000 1.013 484 L CA -0.522 54.386 54.840 0.113 0.000 0.816 484 L CB 2.041 44.166 42.059 0.111 0.000 1.287 484 L HN 0.729 nan 8.230 nan 0.000 0.435 485 N N 0.968 119.766 118.700 0.164 0.000 3.049 485 N HA 0.086 4.827 4.740 0.002 0.000 0.244 485 N C -0.663 174.919 175.510 0.119 0.000 1.203 485 N CA -0.438 52.702 53.050 0.149 0.000 0.945 485 N CB 1.596 40.167 38.487 0.141 0.000 1.616 485 N HN 0.631 nan 8.380 nan 0.000 0.505 486 K N 0.900 121.366 120.400 0.110 0.000 3.572 486 K HA -0.205 4.116 4.320 0.002 0.000 0.306 486 K C 0.607 177.230 176.600 0.038 0.000 1.286 486 K CA 1.545 57.890 56.287 0.095 0.000 1.010 486 K CB -1.435 31.128 32.500 0.106 0.000 1.268 486 K HN 1.053 nan 8.250 nan 0.000 0.438 487 G N 0.373 109.232 108.800 0.099 0.000 2.135 487 G HA2 -0.255 3.707 3.960 0.002 0.000 0.183 487 G HA3 -0.255 3.707 3.960 0.002 0.000 0.183 487 G C -0.404 174.692 174.900 0.326 0.000 1.004 487 G CA 0.316 45.552 45.100 0.228 0.000 0.677 487 G HN 0.367 nan 8.290 nan 0.000 0.512 488 K N -0.754 119.758 120.400 0.186 0.000 2.533 488 K HA 0.716 5.037 4.320 0.002 0.000 0.272 488 K C -0.732 175.946 176.600 0.130 0.000 0.985 488 K CA -1.368 55.000 56.287 0.135 0.000 0.876 488 K CB 1.723 34.274 32.500 0.084 0.000 1.452 488 K HN 0.081 nan 8.250 nan 0.000 0.439 489 I N 2.690 123.330 120.570 0.116 0.000 2.287 489 I HA 0.099 4.270 4.170 0.002 0.000 0.290 489 I C 0.708 176.945 176.117 0.201 0.000 1.069 489 I CA -0.606 60.775 61.300 0.134 0.000 1.237 489 I CB 0.041 38.102 38.000 0.102 0.000 1.418 489 I HN 0.518 nan 8.210 nan 0.000 0.481 490 F N 7.105 127.067 119.950 0.019 0.000 2.014 490 F HA 0.134 4.663 4.527 0.003 0.000 0.294 490 F C 1.098 176.897 175.800 -0.002 0.000 1.392 490 F CA 0.675 58.680 58.000 0.009 0.000 1.150 490 F CB -0.050 38.951 39.000 0.002 0.000 0.935 490 F HN 0.263 nan 8.300 nan 0.000 0.507 491 K N 0.596 120.790 120.400 -0.343 0.000 2.098 491 K HA 0.525 4.846 4.320 0.002 0.000 0.258 491 K C -1.560 174.893 176.600 -0.245 0.000 0.973 491 K CA -0.503 55.485 56.287 -0.500 0.000 0.898 491 K CB 1.580 33.454 32.500 -1.043 0.000 1.057 491 K HN 0.272 nan 8.250 nan 0.000 0.447 492 V N 1.693 121.545 119.914 -0.103 0.000 2.925 492 V HA 0.840 4.961 4.120 0.002 0.000 0.311 492 V C -0.642 175.555 176.094 0.173 0.000 1.104 492 V CA 0.024 62.353 62.300 0.048 0.000 0.954 492 V CB 1.931 33.802 31.823 0.080 0.000 1.022 492 V HN 1.038 nan 8.190 nan 0.000 0.427 493 G N 4.494 113.572 108.800 0.464 0.000 2.495 493 G HA2 0.601 4.563 3.960 0.002 0.000 0.294 493 G HA3 0.601 4.563 3.960 0.002 0.000 0.294 493 G C -1.968 172.861 174.900 -0.118 0.000 1.397 493 G CA -0.879 44.444 45.100 0.371 0.000 0.790 493 G HN 0.575 nan 8.290 nan 0.000 0.486 494 R N -0.291 120.078 120.500 -0.218 0.000 2.668 494 R HA 0.709 5.050 4.340 0.002 0.000 0.279 494 R C -1.001 175.122 176.300 -0.295 0.000 0.976 494 R CA -0.897 55.026 56.100 -0.296 0.000 0.978 494 R CB 1.694 31.880 30.300 -0.191 0.000 1.133 494 R HN 0.565 nan 8.270 nan 0.000 0.484 495 Q N 2.167 121.876 119.800 -0.153 0.000 2.337 495 Q HA 0.400 4.741 4.340 0.002 0.000 0.264 495 Q C -2.602 173.489 176.000 0.152 0.000 1.007 495 Q CA -2.064 53.775 55.803 0.059 0.000 0.727 495 Q CB 1.699 30.588 28.738 0.252 0.000 1.256 495 Q HN 0.199 nan 8.270 nan 0.000 0.467 496 P HA 0.115 nan 4.420 nan 0.000 0.270 496 P C -1.206 176.140 177.300 0.076 0.000 1.221 496 P CA -0.021 63.139 63.100 0.099 0.000 0.788 496 P CB 0.455 32.200 31.700 0.075 0.000 0.904 497 R N 0.505 121.013 120.500 0.013 0.000 2.564 497 R HA 0.530 4.871 4.340 0.002 0.000 0.284 497 R C -1.129 175.161 176.300 -0.016 0.000 1.031 497 R CA -0.680 55.404 56.100 -0.026 0.000 0.904 497 R CB 1.427 31.623 30.300 -0.174 0.000 1.199 497 R HN 0.292 nan 8.270 nan 0.000 0.443 498 R N 2.071 122.575 120.500 0.007 0.000 2.604 498 R HA 0.270 4.611 4.340 0.002 0.000 0.287 498 R C -0.821 175.476 176.300 -0.005 0.000 0.970 498 R CA -0.889 55.211 56.100 0.001 0.000 0.946 498 R CB 1.221 31.530 30.300 0.015 0.000 1.127 498 R HN 0.763 nan 8.270 nan 0.000 0.473 499 D N 0.863 121.255 120.400 -0.014 0.000 2.488 499 D HA 0.095 4.736 4.640 0.002 0.000 0.238 499 D C 0.970 177.269 176.300 -0.002 0.000 1.138 499 D CA 2.151 56.140 54.000 -0.018 0.000 0.873 499 D CB 0.816 41.603 40.800 -0.022 0.000 1.183 499 D HN 0.721 nan 8.370 nan 0.000 0.458 500 G N 2.841 111.642 108.800 0.002 0.000 2.213 500 G HA2 -0.281 3.680 3.960 0.002 0.000 0.236 500 G HA3 -0.281 3.680 3.960 0.002 0.000 0.236 500 G C 0.333 175.252 174.900 0.032 0.000 0.991 500 G CA 0.111 45.220 45.100 0.015 0.000 0.629 500 G HN 0.563 nan 8.290 nan 0.000 0.517 501 Q N 0.811 120.633 119.800 0.036 0.000 2.361 501 Q HA 0.456 4.798 4.340 0.002 0.000 0.250 501 Q C 0.892 176.944 176.000 0.087 0.000 1.023 501 Q CA -0.378 55.464 55.803 0.066 0.000 0.915 501 Q CB 0.532 29.317 28.738 0.079 0.000 1.238 501 Q HN 0.304 nan 8.270 nan 0.000 0.451 502 N N 1.879 120.639 118.700 0.099 0.000 2.373 502 N HA 0.089 4.830 4.740 0.002 0.000 0.181 502 N C -0.595 175.016 175.510 0.169 0.000 1.082 502 N CA 0.395 53.521 53.050 0.127 0.000 0.885 502 N CB 0.609 39.161 38.487 0.108 0.000 0.977 502 N HN 0.422 nan 8.380 nan 0.000 0.462 503 L N 0.688 122.006 121.223 0.159 0.000 2.518 503 L HA 0.471 4.812 4.340 0.002 0.000 0.262 503 L C -1.653 175.322 176.870 0.174 0.000 0.982 503 L CA -0.418 54.525 54.840 0.171 0.000 0.873 503 L CB 1.424 43.555 42.059 0.120 0.000 1.198 503 L HN -0.337 nan 8.230 nan 0.000 0.427 504 V N 3.584 123.654 119.914 0.260 0.000 2.680 504 V HA 0.653 4.774 4.120 0.002 0.000 0.309 504 V C -0.178 176.045 176.094 0.215 0.000 1.052 504 V CA -0.117 62.327 62.300 0.239 0.000 0.908 504 V CB 2.540 34.541 31.823 0.295 0.000 1.001 504 V HN 0.779 nan 8.190 nan 0.000 0.431 505 T N 6.484 121.102 114.554 0.106 0.000 2.907 505 T HA 0.687 5.038 4.350 0.002 0.000 0.292 505 T C -0.943 173.751 174.700 -0.011 0.000 1.043 505 T CA -0.491 61.602 62.100 -0.012 0.000 1.003 505 T CB 1.240 70.097 68.868 -0.017 0.000 1.084 505 T HN 0.738 nan 8.240 nan 0.000 0.483 506 M N 3.860 123.407 119.600 -0.088 0.000 2.277 506 M HA 0.467 4.948 4.480 0.002 0.000 0.282 506 M C -1.528 174.755 176.300 -0.029 0.000 1.074 506 M CA -0.710 54.580 55.300 -0.018 0.000 0.954 506 M CB 1.677 34.307 32.600 0.049 0.000 1.672 506 M HN 0.377 nan 8.290 nan 0.000 0.471 507 N N 3.879 122.579 118.700 -0.000 0.000 2.442 507 N HA 0.303 5.044 4.740 0.002 0.000 0.265 507 N C -1.304 174.205 175.510 -0.002 0.000 1.138 507 N CA -0.072 52.975 53.050 -0.005 0.000 0.956 507 N CB 1.031 39.523 38.487 0.009 0.000 1.067 507 N HN 0.588 nan 8.380 nan 0.000 0.474 508 L N 3.251 124.453 121.223 -0.036 0.000 2.331 508 L HA 0.312 4.653 4.340 0.002 0.000 0.275 508 L C -0.487 176.383 176.870 0.001 0.000 1.022 508 L CA -0.734 54.073 54.840 -0.055 0.000 0.812 508 L CB 1.120 43.071 42.059 -0.180 0.000 1.257 508 L HN 0.507 nan 8.230 nan 0.000 0.435 509 H N 4.640 123.661 119.070 -0.081 0.000 2.661 509 H HA 0.471 5.029 4.556 0.003 0.000 0.290 509 H C -0.575 174.719 175.328 -0.055 0.000 1.082 509 H CA -0.715 55.297 56.048 -0.059 0.000 1.234 509 H CB 0.291 30.026 29.762 -0.046 0.000 1.387 509 H HN 0.454 nan 8.280 nan 0.000 0.476 510 I N 4.020 124.350 120.570 -0.400 0.000 2.634 510 I HA 0.129 4.300 4.170 0.002 0.000 0.284 510 I C 0.940 176.834 176.117 -0.373 0.000 1.124 510 I CA 0.317 61.430 61.300 -0.312 0.000 1.417 510 I CB 0.869 38.683 38.000 -0.309 0.000 1.396 510 I HN 0.672 nan 8.210 nan 0.000 0.571 511 T N 5.792 120.242 114.554 -0.173 0.000 2.909 511 T HA 0.443 4.795 4.350 0.002 0.000 0.299 511 T C -2.108 172.540 174.700 -0.086 0.000 1.073 511 T CA -1.764 60.280 62.100 -0.093 0.000 0.999 511 T CB 2.037 70.940 68.868 0.059 0.000 1.098 511 T HN 0.240 nan 8.240 nan 0.000 0.477 512 P HA -0.195 nan 4.420 nan 0.000 0.222 512 P C 0.644 177.871 177.300 -0.121 0.000 1.155 512 P CA 1.679 64.718 63.100 -0.101 0.000 0.890 512 P CB -0.018 31.648 31.700 -0.057 0.000 0.790 513 D N -1.115 119.227 120.400 -0.096 0.000 2.265 513 D HA -0.130 4.511 4.640 0.002 0.000 0.208 513 D C 1.683 177.905 176.300 -0.130 0.000 0.977 513 D CA 0.876 54.792 54.000 -0.140 0.000 0.871 513 D CB -0.908 39.720 40.800 -0.286 0.000 0.925 513 D HN 0.293 nan 8.370 nan 0.000 0.485 514 L N -0.205 120.944 121.223 -0.124 0.000 2.418 514 L HA 0.139 4.481 4.340 0.002 0.000 0.218 514 L C 0.925 177.584 176.870 -0.352 0.000 1.125 514 L CA -0.160 54.584 54.840 -0.159 0.000 0.835 514 L CB -0.419 41.498 42.059 -0.236 0.000 0.953 514 L HN -0.067 nan 8.230 nan 0.000 0.454 515 I N 2.712 123.032 120.570 -0.417 0.000 2.815 515 I HA -0.049 4.123 4.170 0.002 0.000 0.291 515 I C -1.112 174.561 176.117 -0.740 0.000 1.209 515 I CA -0.467 60.450 61.300 -0.638 0.000 1.431 515 I CB 0.647 38.220 38.000 -0.713 0.000 1.351 515 I HN -0.061 nan 8.210 nan 0.000 0.585 516 P HA 0.074 nan 4.420 nan 0.000 0.267 516 P C -0.608 176.392 177.300 -0.500 0.000 1.289 516 P CA 0.192 62.851 63.100 -0.734 0.000 0.866 516 P CB 0.463 31.760 31.700 -0.673 0.000 1.309 517 S N 0.328 115.783 115.700 -0.408 0.000 2.548 517 S HA 0.646 5.117 4.470 0.002 0.000 0.278 517 S C -0.927 173.581 174.600 -0.154 0.000 1.150 517 S CA -0.884 57.077 58.200 -0.400 0.000 0.907 517 S CB 0.350 63.396 63.200 -0.257 0.000 1.108 517 S HN 0.151 nan 8.310 nan 0.000 0.459 518 F N 0.524 120.258 119.950 -0.359 0.000 2.599 518 F HA 0.751 5.279 4.527 0.002 0.000 0.311 518 F C -0.593 175.140 175.800 -0.111 0.000 1.076 518 F CA -1.480 56.417 58.000 -0.173 0.000 0.937 518 F CB 1.526 40.436 39.000 -0.150 0.000 1.282 518 F HN 0.505 nan 8.300 nan 0.000 0.460 519 R N 2.082 122.626 120.500 0.072 0.000 2.474 519 R HA 0.419 4.760 4.340 0.002 0.000 0.295 519 R C -1.800 174.408 176.300 -0.153 0.000 0.980 519 R CA -0.848 55.275 56.100 0.037 0.000 0.934 519 R CB 2.182 32.576 30.300 0.157 0.000 1.101 519 R HN 0.579 nan 8.270 nan 0.000 0.469 520 F N 3.942 123.712 119.950 -0.300 0.000 2.375 520 F HA 0.341 4.869 4.527 0.002 0.000 0.361 520 F C -0.774 174.926 175.800 -0.166 0.000 1.117 520 F CA -1.300 56.514 58.000 -0.310 0.000 1.037 520 F CB 1.131 39.934 39.000 -0.329 0.000 1.192 520 F HN 0.077 nan 8.300 nan 0.000 0.452 521 V N 4.394 124.366 119.914 0.096 0.000 2.628 521 V HA 0.956 5.077 4.120 0.002 0.000 0.306 521 V C -0.267 175.697 176.094 -0.217 0.000 1.045 521 V CA -0.828 61.373 62.300 -0.164 0.000 0.905 521 V CB 1.036 32.711 31.823 -0.247 0.000 0.997 521 V HN 0.940 nan 8.190 nan 0.000 0.436 522 A N 3.465 126.101 122.820 -0.307 0.000 2.587 522 A HA 1.014 5.335 4.320 0.002 0.000 0.293 522 A C -1.589 175.918 177.584 -0.128 0.000 1.087 522 A CA -0.630 51.225 52.037 -0.304 0.000 0.692 522 A CB 2.215 20.890 19.000 -0.542 0.000 1.291 522 A HN 1.814 nan 8.150 nan 0.000 0.407 523 Y N -0.966 119.289 120.300 -0.075 0.000 2.592 523 Y HA 0.763 5.315 4.550 0.002 0.000 0.334 523 Y C -1.679 174.355 175.900 0.222 0.000 1.136 523 Y CA -2.055 56.088 58.100 0.072 0.000 1.042 523 Y CB 0.552 39.179 38.460 0.278 0.000 1.325 523 Y HN 1.253 nan 8.280 nan 0.000 0.457 524 Y N 0.548 121.156 120.300 0.513 0.000 2.598 524 Y HA 0.849 5.400 4.550 0.002 0.000 0.340 524 Y C -1.352 174.624 175.900 0.126 0.000 1.038 524 Y CA -2.433 55.849 58.100 0.303 0.000 1.100 524 Y CB 1.273 39.770 38.460 0.063 0.000 1.281 524 Y HN 0.712 nan 8.280 nan 0.000 0.488 525 Q N 0.928 120.777 119.800 0.081 0.000 2.353 525 Q HA 0.705 5.046 4.340 0.002 0.000 0.268 525 Q C -1.488 174.333 176.000 -0.297 0.000 1.045 525 Q CA -1.081 54.608 55.803 -0.190 0.000 0.811 525 Q CB 2.275 30.774 28.738 -0.399 0.000 1.305 525 Q HN 0.617 nan 8.270 nan 0.000 0.447 526 V N -0.257 119.474 119.914 -0.305 0.000 2.398 526 V HA 0.820 4.941 4.120 0.002 0.000 0.286 526 V C 1.053 177.020 176.094 -0.213 0.000 1.026 526 V CA -0.301 61.827 62.300 -0.287 0.000 0.868 526 V CB 0.581 32.219 31.823 -0.308 0.000 0.982 526 V HN 1.217 nan 8.190 nan 0.000 0.443 527 G N 3.923 112.612 108.800 -0.185 0.000 2.283 527 G HA2 -0.322 3.639 3.960 0.002 0.000 0.280 527 G HA3 -0.322 3.639 3.960 0.002 0.000 0.280 527 G C 0.407 175.228 174.900 -0.132 0.000 1.029 527 G CA 0.430 45.445 45.100 -0.142 0.000 0.840 527 G HN 1.352 nan 8.290 nan 0.000 0.505 528 N N -1.577 117.034 118.700 -0.148 0.000 2.714 528 N HA -0.188 4.553 4.740 0.002 0.000 0.250 528 N C 0.830 176.254 175.510 -0.144 0.000 1.117 528 N CA 1.792 54.758 53.050 -0.139 0.000 0.719 528 N CB -1.240 37.184 38.487 -0.105 0.000 1.081 528 N HN 0.774 nan 8.380 nan 0.000 0.557 529 N N -0.118 118.490 118.700 -0.154 0.000 2.200 529 N HA 0.037 4.779 4.740 0.002 0.000 0.233 529 N C -0.502 174.922 175.510 -0.143 0.000 1.236 529 N CA 0.336 53.306 53.050 -0.133 0.000 0.845 529 N CB 0.852 39.272 38.487 -0.112 0.000 1.257 529 N HN 0.466 nan 8.380 nan 0.000 0.472 530 E N 0.932 121.032 120.200 -0.167 0.000 2.199 530 E HA 0.405 4.756 4.350 0.002 0.000 0.269 530 E C -0.752 175.748 176.600 -0.165 0.000 0.899 530 E CA -0.680 55.626 56.400 -0.157 0.000 0.772 530 E CB 1.427 31.033 29.700 -0.156 0.000 1.155 530 E HN 0.249 nan 8.360 nan 0.000 0.408 531 I N 1.680 122.170 120.570 -0.133 0.000 2.411 531 I HA 0.538 4.709 4.170 0.002 0.000 0.284 531 I C -1.020 175.132 176.117 0.058 0.000 1.012 531 I CA -1.006 60.225 61.300 -0.115 0.000 1.119 531 I CB 1.415 39.235 38.000 -0.300 0.000 1.261 531 I HN 0.152 nan 8.210 nan 0.000 0.448 532 V N 5.121 125.207 119.914 0.287 0.000 2.735 532 V HA 0.958 5.079 4.120 0.002 0.000 0.310 532 V C 0.065 176.407 176.094 0.413 0.000 1.061 532 V CA -0.136 62.404 62.300 0.401 0.000 0.913 532 V CB 1.968 34.040 31.823 0.415 0.000 1.005 532 V HN 1.039 nan 8.190 nan 0.000 0.428 533 A N 3.590 126.649 122.820 0.398 0.000 2.533 533 A HA 0.948 5.270 4.320 0.002 0.000 0.293 533 A C -1.624 176.055 177.584 0.158 0.000 1.228 533 A CA -0.422 51.780 52.037 0.275 0.000 0.689 533 A CB 2.139 21.420 19.000 0.469 0.000 1.303 533 A HN 0.737 nan 8.150 nan 0.000 0.444 534 D N -1.620 118.783 120.400 0.004 0.000 2.653 534 D HA 0.613 5.255 4.640 0.002 0.000 0.258 534 D C -1.245 174.981 176.300 -0.122 0.000 1.252 534 D CA 0.695 54.665 54.000 -0.051 0.000 0.777 534 D CB 1.966 42.769 40.800 0.004 0.000 1.339 534 D HN 1.150 nan 8.370 nan 0.000 0.422 535 S N 0.124 115.777 115.700 -0.078 0.000 2.546 535 S HA 0.703 5.174 4.470 0.002 0.000 0.272 535 S C -1.581 173.030 174.600 0.019 0.000 1.140 535 S CA -0.732 57.426 58.200 -0.070 0.000 0.920 535 S CB 1.408 64.568 63.200 -0.065 0.000 1.083 535 S HN 0.615 nan 8.310 nan 0.000 0.476 536 V N 3.123 123.068 119.914 0.051 0.000 3.040 536 V HA 0.888 5.009 4.120 0.002 0.000 0.312 536 V C -1.824 174.400 176.094 0.217 0.000 1.115 536 V CA -0.662 61.717 62.300 0.132 0.000 0.998 536 V CB 2.108 33.991 31.823 0.100 0.000 1.042 536 V HN 1.071 nan 8.190 nan 0.000 0.433 537 W N 4.562 125.891 121.300 0.047 0.000 2.706 537 W HA 0.814 5.475 4.660 0.002 0.000 0.346 537 W C -1.445 175.146 176.519 0.120 0.000 1.071 537 W CA -0.426 56.962 57.345 0.071 0.000 1.206 537 W CB 1.908 31.396 29.460 0.048 0.000 1.413 537 W HN 0.532 nan 8.180 nan 0.000 0.542 538 V N 4.225 123.907 119.914 -0.387 0.000 2.932 538 V HA 0.216 4.338 4.120 0.002 0.000 0.307 538 V C -1.177 174.430 176.094 -0.812 0.000 1.147 538 V CA -0.962 61.112 62.300 -0.377 0.000 0.951 538 V CB 1.841 33.771 31.823 0.178 0.000 1.031 538 V HN 0.455 nan 8.190 nan 0.000 0.426 539 D N 2.270 122.250 120.400 -0.701 0.000 2.274 539 D HA 0.487 5.128 4.640 0.002 0.000 0.239 539 D C -0.467 175.553 176.300 -0.467 0.000 1.104 539 D CA 0.070 53.699 54.000 -0.619 0.000 0.840 539 D CB 1.885 42.429 40.800 -0.426 0.000 1.100 539 D HN 0.303 nan 8.370 nan 0.000 0.477 540 V N 3.582 123.179 119.914 -0.528 0.000 2.567 540 V HA 0.153 4.274 4.120 0.002 0.000 0.289 540 V C 0.587 176.464 176.094 -0.362 0.000 1.049 540 V CA -0.943 61.069 62.300 -0.480 0.000 0.969 540 V CB 1.356 32.832 31.823 -0.579 0.000 0.995 540 V HN 0.421 nan 8.190 nan 0.000 0.471 541 K N 2.925 123.161 120.400 -0.273 0.000 2.440 541 K HA -0.062 4.259 4.320 0.002 0.000 0.275 541 K C -0.179 176.295 176.600 -0.209 0.000 1.082 541 K CA 0.409 56.581 56.287 -0.192 0.000 1.135 541 K CB -0.333 32.084 32.500 -0.139 0.000 0.864 541 K HN 0.596 nan 8.250 nan 0.000 0.479 542 D N 3.353 123.653 120.400 -0.167 0.000 2.541 542 D HA 0.026 4.667 4.640 0.002 0.000 0.231 542 D C 0.176 176.512 176.300 0.060 0.000 1.163 542 D CA 0.310 54.208 54.000 -0.169 0.000 1.077 542 D CB -0.031 40.745 40.800 -0.039 0.000 1.110 542 D HN 0.668 nan 8.370 nan 0.000 0.499 543 T N -2.090 112.499 114.554 0.057 0.000 2.724 543 T HA 0.399 4.750 4.350 0.002 0.000 0.274 543 T C -0.055 174.834 174.700 0.315 0.000 0.984 543 T CA -0.726 61.473 62.100 0.165 0.000 1.024 543 T CB 1.034 69.923 68.868 0.034 0.000 1.320 543 T HN 0.189 nan 8.240 nan 0.000 0.555 544 c N 2.609 121.300 118.600 0.151 0.000 2.527 544 c HA 0.424 4.995 4.570 0.002 0.000 0.396 544 c C 2.350 176.488 174.090 0.079 0.000 1.289 544 c CA -0.760 55.635 56.329 0.110 0.000 2.047 544 c CB -0.701 41.812 42.510 0.005 0.000 2.568 544 c HN 0.863 nan 8.230 nan 0.000 0.573 545 M N 3.215 122.871 119.600 0.094 0.000 3.231 545 M HA -0.058 4.424 4.480 0.002 0.000 0.286 545 M C 1.657 177.948 176.300 -0.015 0.000 1.056 545 M CA 2.249 57.569 55.300 0.034 0.000 1.066 545 M CB -1.612 30.997 32.600 0.015 0.000 1.191 545 M HN 0.924 nan 8.290 nan 0.000 0.569 546 G N -0.509 108.267 108.800 -0.040 0.000 2.522 546 G HA2 0.271 4.232 3.960 0.002 0.000 0.223 546 G HA3 0.271 4.232 3.960 0.002 0.000 0.223 546 G C -0.309 174.565 174.900 -0.043 0.000 1.565 546 G CA -0.021 45.051 45.100 -0.047 0.000 1.053 546 G HN 0.511 nan 8.290 nan 0.000 0.547 547 T N -1.280 113.245 114.554 -0.049 0.000 2.841 547 T HA 0.563 4.914 4.350 0.002 0.000 0.296 547 T C -1.497 173.169 174.700 -0.056 0.000 1.166 547 T CA -0.325 61.746 62.100 -0.047 0.000 1.007 547 T CB 2.035 70.879 68.868 -0.040 0.000 1.253 547 T HN 0.619 nan 8.240 nan 0.000 0.511 548 L N 2.188 123.378 121.223 -0.056 0.000 2.722 548 L HA 0.470 4.812 4.340 0.002 0.000 0.244 548 L C -1.105 175.730 176.870 -0.058 0.000 1.023 548 L CA -0.443 54.360 54.840 -0.061 0.000 0.988 548 L CB 0.723 42.736 42.059 -0.076 0.000 1.245 548 L HN 0.664 nan 8.230 nan 0.000 0.508 549 V N 1.083 120.964 119.914 -0.055 0.000 2.667 549 V HA 0.839 4.960 4.120 0.002 0.000 0.308 549 V C -0.543 175.514 176.094 -0.062 0.000 1.048 549 V CA -0.714 61.551 62.300 -0.058 0.000 0.928 549 V CB 2.077 33.863 31.823 -0.062 0.000 1.004 549 V HN 0.200 nan 8.190 nan 0.000 0.444 550 V N 4.047 123.922 119.914 -0.064 0.000 2.275 550 V HA 0.415 4.536 4.120 0.002 0.000 0.272 550 V C 0.297 176.303 176.094 -0.146 0.000 1.028 550 V CA -0.393 61.880 62.300 -0.045 0.000 0.810 550 V CB 0.676 32.528 31.823 0.048 0.000 1.043 550 V HN 0.985 nan 8.190 nan 0.000 0.453 551 K N 2.873 123.190 120.400 -0.138 0.000 2.172 551 K HA 0.729 5.050 4.320 0.002 0.000 0.276 551 K C 0.350 176.845 176.600 -0.174 0.000 1.013 551 K CA -0.008 56.153 56.287 -0.209 0.000 0.913 551 K CB 1.558 33.988 32.500 -0.116 0.000 1.055 551 K HN 0.813 nan 8.250 nan 0.000 0.461 552 G N 1.146 109.772 108.800 -0.290 0.000 2.682 552 G HA2 0.101 4.062 3.960 0.002 0.000 0.303 552 G HA3 0.101 4.062 3.960 0.002 0.000 0.303 552 G C -0.815 174.090 174.900 0.008 0.000 1.341 552 G CA -0.585 44.509 45.100 -0.009 0.000 0.784 552 G HN 0.672 nan 8.290 nan 0.000 0.497 553 D N -1.528 118.971 120.400 0.165 0.000 2.360 553 D HA 0.095 4.736 4.640 0.002 0.000 0.210 553 D C 0.991 177.373 176.300 0.136 0.000 1.047 553 D CA 0.206 54.276 54.000 0.117 0.000 0.854 553 D CB 0.092 40.960 40.800 0.113 0.000 0.936 553 D HN 0.275 nan 8.370 nan 0.000 0.514 554 N N -1.110 117.729 118.700 0.232 0.000 2.946 554 N HA -0.169 4.572 4.740 0.002 0.000 0.228 554 N C -0.366 175.246 175.510 0.170 0.000 0.873 554 N CA 1.440 54.623 53.050 0.222 0.000 1.029 554 N CB -1.485 37.077 38.487 0.124 0.000 1.047 554 N HN 0.395 nan 8.380 nan 0.000 0.612 555 L N -0.647 120.663 121.223 0.144 0.000 2.456 555 L HA 0.547 4.888 4.340 0.002 0.000 0.257 555 L C 0.584 177.522 176.870 0.114 0.000 1.162 555 L CA -0.933 53.974 54.840 0.113 0.000 0.808 555 L CB 0.103 42.217 42.059 0.092 0.000 1.136 555 L HN -0.080 nan 8.230 nan 0.000 0.466 556 I N 1.347 121.975 120.570 0.096 0.000 2.483 556 I HA 0.167 4.338 4.170 0.002 0.000 0.291 556 I C 0.335 176.505 176.117 0.088 0.000 1.112 556 I CA 0.337 61.693 61.300 0.093 0.000 1.350 556 I CB -0.803 37.249 38.000 0.085 0.000 1.419 556 I HN 0.467 nan 8.210 nan 0.000 0.523 557 Q N 6.129 125.983 119.800 0.091 0.000 2.221 557 Q HA 0.594 4.935 4.340 0.002 0.000 0.242 557 Q C -0.404 175.630 176.000 0.057 0.000 0.940 557 Q CA -0.438 55.412 55.803 0.079 0.000 0.896 557 Q CB 2.003 30.799 28.738 0.096 0.000 1.226 557 Q HN 0.543 nan 8.270 nan 0.000 0.463 558 M N 2.065 121.686 119.600 0.034 0.000 2.311 558 M HA 0.374 4.855 4.480 0.002 0.000 0.325 558 M C -2.265 174.019 176.300 -0.026 0.000 1.061 558 M CA -1.971 53.336 55.300 0.011 0.000 0.957 558 M CB 1.559 34.169 32.600 0.016 0.000 1.646 558 M HN 0.134 nan 8.290 nan 0.000 0.434 559 P HA -0.078 nan 4.420 nan 0.000 0.265 559 P C 0.952 178.173 177.300 -0.133 0.000 1.167 559 P CA 1.343 64.393 63.100 -0.083 0.000 0.760 559 P CB 0.335 31.967 31.700 -0.112 0.000 0.783 560 G N 1.320 110.013 108.800 -0.179 0.000 2.216 560 G HA2 -0.307 3.654 3.960 0.002 0.000 0.269 560 G HA3 -0.307 3.654 3.960 0.002 0.000 0.269 560 G C 0.645 175.365 174.900 -0.300 0.000 0.981 560 G CA 0.463 45.412 45.100 -0.252 0.000 0.658 560 G HN 0.904 nan 8.290 nan 0.000 0.539 561 A N 0.076 122.762 122.820 -0.223 0.000 2.455 561 A HA 0.656 4.977 4.320 0.002 0.000 0.244 561 A C 1.164 178.601 177.584 -0.245 0.000 1.099 561 A CA 0.985 52.881 52.037 -0.234 0.000 0.786 561 A CB 0.061 18.995 19.000 -0.109 0.000 1.051 561 A HN 2.096 nan 8.150 nan 0.000 0.508 562 A N 1.261 123.967 122.820 -0.190 0.000 2.440 562 A HA 0.566 4.888 4.320 0.002 0.000 0.251 562 A C 0.144 177.789 177.584 0.102 0.000 1.089 562 A CA 0.195 52.272 52.037 0.067 0.000 0.779 562 A CB -0.070 19.030 19.000 0.167 0.000 1.022 562 A HN 0.763 nan 8.150 nan 0.000 0.492 563 M N 1.610 121.310 119.600 0.167 0.000 2.457 563 M HA 0.411 4.892 4.480 0.002 0.000 0.300 563 M C -0.798 175.770 176.300 0.446 0.000 1.141 563 M CA -0.326 55.117 55.300 0.238 0.000 0.901 563 M CB 2.280 34.922 32.600 0.070 0.000 1.687 563 M HN 0.759 nan 8.290 nan 0.000 0.449 564 K N 3.738 124.344 120.400 0.344 0.000 2.450 564 K HA 0.714 5.035 4.320 0.002 0.000 0.257 564 K C -1.160 175.564 176.600 0.207 0.000 0.953 564 K CA -0.390 56.043 56.287 0.243 0.000 0.844 564 K CB 1.671 34.267 32.500 0.161 0.000 1.103 564 K HN 0.684 nan 8.250 nan 0.000 0.429 565 I N -0.033 120.600 120.570 0.105 0.000 2.608 565 I HA 0.523 4.694 4.170 0.002 0.000 0.295 565 I C -0.944 175.174 176.117 0.000 0.000 1.049 565 I CA -1.135 60.206 61.300 0.067 0.000 1.063 565 I CB 2.005 40.011 38.000 0.010 0.000 1.248 565 I HN 0.235 nan 8.210 nan 0.000 0.424 566 K N 5.464 125.868 120.400 0.007 0.000 2.130 566 K HA 0.641 4.963 4.320 0.002 0.000 0.268 566 K C -1.116 175.461 176.600 -0.038 0.000 0.983 566 K CA -0.600 55.675 56.287 -0.020 0.000 0.893 566 K CB 2.187 34.677 32.500 -0.016 0.000 1.066 566 K HN 0.524 nan 8.250 nan 0.000 0.450 567 L N 3.153 124.348 121.223 -0.046 0.000 2.318 567 L HA 0.294 4.635 4.340 0.002 0.000 0.277 567 L C -0.681 176.162 176.870 -0.046 0.000 1.008 567 L CA -0.367 54.441 54.840 -0.054 0.000 0.846 567 L CB 1.421 43.440 42.059 -0.067 0.000 1.220 567 L HN 0.646 nan 8.230 nan 0.000 0.423 568 E N 2.433 122.605 120.200 -0.047 0.000 2.156 568 E HA 0.653 5.004 4.350 0.002 0.000 0.279 568 E C -0.068 176.506 176.600 -0.043 0.000 0.965 568 E CA -0.335 56.040 56.400 -0.042 0.000 0.789 568 E CB 2.360 32.035 29.700 -0.042 0.000 1.098 568 E HN 0.742 nan 8.360 nan 0.000 0.397 569 G N 2.631 111.408 108.800 -0.038 0.000 2.634 569 G HA2 0.204 4.165 3.960 0.002 0.000 0.309 569 G HA3 0.204 4.165 3.960 0.002 0.000 0.309 569 G C -1.478 173.401 174.900 -0.034 0.000 1.299 569 G CA -0.866 44.210 45.100 -0.040 0.000 0.798 569 G HN 0.419 nan 8.290 nan 0.000 0.490 570 D N 1.630 122.007 120.400 -0.038 0.000 2.350 570 D HA 0.460 5.101 4.640 0.002 0.000 0.249 570 D C -2.232 174.055 176.300 -0.022 0.000 1.119 570 D CA -0.554 53.425 54.000 -0.035 0.000 0.886 570 D CB 1.206 41.975 40.800 -0.051 0.000 1.195 570 D HN 0.036 nan 8.370 nan 0.000 0.437 571 P HA 0.047 nan 4.420 nan 0.000 0.263 571 P C 0.971 178.272 177.300 0.002 0.000 1.175 571 P CA 0.565 63.661 63.100 -0.007 0.000 0.761 571 P CB 0.552 32.249 31.700 -0.006 0.000 0.794 572 G N 1.630 110.437 108.800 0.011 0.000 2.175 572 G HA2 -0.238 3.724 3.960 0.002 0.000 0.265 572 G HA3 -0.238 3.724 3.960 0.002 0.000 0.265 572 G C 0.474 175.401 174.900 0.046 0.000 0.979 572 G CA 0.097 45.214 45.100 0.027 0.000 0.663 572 G HN 0.871 nan 8.290 nan 0.000 0.533 573 A N 0.175 123.014 122.820 0.031 0.000 2.477 573 A HA 0.620 4.941 4.320 0.002 0.000 0.246 573 A C 0.880 178.508 177.584 0.072 0.000 1.078 573 A CA 0.628 52.694 52.037 0.047 0.000 0.770 573 A CB 0.154 19.155 19.000 0.002 0.000 1.011 573 A HN 1.324 nan 8.150 nan 0.000 0.494 574 R N 1.977 122.559 120.500 0.136 0.000 2.229 574 R HA 0.565 4.906 4.340 0.002 0.000 0.328 574 R C -1.541 174.828 176.300 0.115 0.000 1.009 574 R CA -0.399 55.780 56.100 0.131 0.000 0.864 574 R CB 0.841 31.244 30.300 0.172 0.000 1.085 574 R HN 0.298 nan 8.270 nan 0.000 0.453 575 V N 2.875 122.820 119.914 0.053 0.000 2.581 575 V HA 0.675 4.796 4.120 0.002 0.000 0.303 575 V C 0.370 176.455 176.094 -0.014 0.000 1.041 575 V CA -0.661 61.645 62.300 0.010 0.000 0.907 575 V CB 1.966 33.764 31.823 -0.042 0.000 0.994 575 V HN 0.967 nan 8.190 nan 0.000 0.442 576 G N 3.869 112.652 108.800 -0.029 0.000 2.544 576 G HA2 0.718 4.679 3.960 0.002 0.000 0.313 576 G HA3 0.718 4.679 3.960 0.002 0.000 0.313 576 G C -1.242 173.498 174.900 -0.265 0.000 1.316 576 G CA -0.489 44.524 45.100 -0.146 0.000 0.944 576 G HN 0.557 nan 8.290 nan 0.000 0.489 577 L N 1.579 122.568 121.223 -0.391 0.000 2.330 577 L HA 0.848 5.189 4.340 0.002 0.000 0.271 577 L C -0.473 176.099 176.870 -0.497 0.000 1.013 577 L CA -1.346 53.269 54.840 -0.374 0.000 0.816 577 L CB 2.329 44.188 42.059 -0.335 0.000 1.287 577 L HN 0.348 nan 8.230 nan 0.000 0.435 578 V N 1.217 120.902 119.914 -0.383 0.000 2.852 578 V HA 0.760 4.881 4.120 0.002 0.000 0.300 578 V C -0.960 174.956 176.094 -0.297 0.000 1.205 578 V CA -0.278 61.837 62.300 -0.307 0.000 0.940 578 V CB 2.014 33.743 31.823 -0.156 0.000 1.047 578 V HN 0.878 nan 8.190 nan 0.000 0.429 579 A N 5.645 128.199 122.820 -0.443 0.000 2.310 579 A HA 0.914 5.236 4.320 0.002 0.000 0.299 579 A C -0.858 176.593 177.584 -0.221 0.000 1.147 579 A CA -0.413 51.329 52.037 -0.491 0.000 0.818 579 A CB 1.513 19.844 19.000 -1.114 0.000 1.096 579 A HN 1.262 nan 8.150 nan 0.000 0.495 580 V N 1.760 121.711 119.914 0.062 0.000 2.971 580 V HA 0.262 4.384 4.120 0.002 0.000 0.309 580 V C -0.839 175.560 176.094 0.508 0.000 1.130 580 V CA -0.874 61.595 62.300 0.283 0.000 0.964 580 V CB 2.163 34.056 31.823 0.117 0.000 1.029 580 V HN 0.986 nan 8.190 nan 0.000 0.427 581 D N 3.000 123.715 120.400 0.525 0.000 2.371 581 D HA 0.118 4.760 4.640 0.002 0.000 0.256 581 D C 1.189 177.541 176.300 0.087 0.000 1.193 581 D CA 0.045 54.145 54.000 0.167 0.000 0.881 581 D CB 1.143 41.943 40.800 -0.001 0.000 1.143 581 D HN 0.442 nan 8.370 nan 0.000 0.473 582 K N 3.040 123.466 120.400 0.043 0.000 2.148 582 K HA -0.303 4.018 4.320 0.002 0.000 0.213 582 K C 1.587 178.199 176.600 0.020 0.000 1.050 582 K CA 1.465 57.801 56.287 0.082 0.000 0.932 582 K CB -0.377 32.138 32.500 0.025 0.000 0.717 582 K HN 0.614 nan 8.250 nan 0.000 0.462 583 A N 1.046 123.831 122.820 -0.058 0.000 2.067 583 A HA -0.298 4.023 4.320 0.002 0.000 0.218 583 A C 2.280 179.812 177.584 -0.087 0.000 1.395 583 A CA 2.885 54.854 52.037 -0.113 0.000 0.821 583 A CB -1.349 17.573 19.000 -0.131 0.000 0.822 583 A HN 0.103 nan 8.150 nan 0.000 0.502 584 V N -1.410 118.472 119.914 -0.053 0.000 2.242 584 V HA -0.368 3.753 4.120 0.002 0.000 0.257 584 V C 2.399 178.521 176.094 0.047 0.000 1.073 584 V CA 2.905 65.191 62.300 -0.024 0.000 1.058 584 V CB -1.156 30.676 31.823 0.015 0.000 0.664 584 V HN 0.708 nan 8.190 nan 0.000 0.451 585 Y N -0.232 120.045 120.300 -0.037 0.000 2.315 585 Y HA -0.191 4.360 4.550 0.002 0.000 0.288 585 Y C 2.217 178.090 175.900 -0.045 0.000 1.154 585 Y CA 1.537 59.626 58.100 -0.019 0.000 1.229 585 Y CB -0.346 38.120 38.460 0.010 0.000 0.980 585 Y HN 0.059 nan 8.280 nan 0.000 0.540 586 V N -0.548 119.282 119.914 -0.139 0.000 2.300 586 V HA -0.234 3.887 4.120 0.002 0.000 0.241 586 V C 2.416 178.387 176.094 -0.205 0.000 1.034 586 V CA 1.556 63.705 62.300 -0.252 0.000 1.021 586 V CB -0.617 31.084 31.823 -0.204 0.000 0.662 586 V HN 0.338 nan 8.190 nan 0.000 0.458 587 L N 0.203 121.324 121.223 -0.170 0.000 2.064 587 L HA -0.212 4.130 4.340 0.002 0.000 0.216 587 L C 1.205 177.986 176.870 -0.148 0.000 1.077 587 L CA 1.596 56.339 54.840 -0.161 0.000 0.766 587 L CB -0.364 41.591 42.059 -0.173 0.000 0.890 587 L HN 0.341 nan 8.230 nan 0.000 0.435 588 N N -0.191 118.430 118.700 -0.132 0.000 2.776 588 N HA 0.056 4.797 4.740 0.002 0.000 0.245 588 N C -0.229 175.178 175.510 -0.172 0.000 1.121 588 N CA -0.170 52.770 53.050 -0.183 0.000 0.852 588 N CB 0.968 39.317 38.487 -0.231 0.000 1.142 588 N HN 0.061 nan 8.380 nan 0.000 0.514 589 D N 1.280 121.574 120.400 -0.176 0.000 2.077 589 D HA -0.167 4.474 4.640 0.002 0.000 0.196 589 D C 1.681 177.941 176.300 -0.067 0.000 0.986 589 D CA 1.226 55.153 54.000 -0.122 0.000 0.829 589 D CB 0.332 41.061 40.800 -0.118 0.000 0.983 589 D HN 0.459 nan 8.370 nan 0.000 0.453 590 K N -0.206 120.130 120.400 -0.107 0.000 2.173 590 K HA -0.211 4.111 4.320 0.002 0.000 0.207 590 K C 1.902 178.640 176.600 0.231 0.000 1.046 590 K CA 1.256 57.565 56.287 0.037 0.000 0.929 590 K CB -0.108 32.434 32.500 0.070 0.000 0.720 590 K HN 0.138 nan 8.250 nan 0.000 0.453 591 Y N 0.784 121.147 120.300 0.105 0.000 2.365 591 Y HA 0.078 4.630 4.550 0.002 0.000 0.293 591 Y C 0.731 176.693 175.900 0.103 0.000 1.119 591 Y CA 0.128 58.301 58.100 0.122 0.000 1.203 591 Y CB -0.680 37.889 38.460 0.182 0.000 1.026 591 Y HN -0.026 nan 8.280 nan 0.000 0.549 592 K N 3.037 123.585 120.400 0.246 0.000 2.466 592 K HA -0.037 4.284 4.320 0.002 0.000 0.278 592 K C 0.451 177.125 176.600 0.122 0.000 1.048 592 K CA -0.071 56.332 56.287 0.194 0.000 1.088 592 K CB -0.050 32.572 32.500 0.203 0.000 0.884 592 K HN 0.325 nan 8.250 nan 0.000 0.478 593 I N 2.331 122.958 120.570 0.095 0.000 2.752 593 I HA 0.018 4.189 4.170 0.002 0.000 0.287 593 I C -0.362 175.724 176.117 -0.051 0.000 1.188 593 I CA 0.447 61.742 61.300 -0.008 0.000 1.427 593 I CB 0.749 38.739 38.000 -0.016 0.000 1.365 593 I HN 0.769 nan 8.210 nan 0.000 0.585 594 S N 4.038 119.656 115.700 -0.137 0.000 2.570 594 S HA 0.230 4.702 4.470 0.002 0.000 0.270 594 S C 0.314 174.785 174.600 -0.215 0.000 1.149 594 S CA -0.639 57.487 58.200 -0.124 0.000 0.837 594 S CB 1.781 64.955 63.200 -0.043 0.000 1.124 594 S HN 0.758 nan 8.310 nan 0.000 0.465 595 Q N 1.666 121.359 119.800 -0.179 0.000 2.062 595 Q HA -0.093 4.248 4.340 0.002 0.000 0.209 595 Q C 2.295 178.185 176.000 -0.185 0.000 0.996 595 Q CA 3.223 58.891 55.803 -0.225 0.000 0.859 595 Q CB -1.272 27.410 28.738 -0.093 0.000 0.920 595 Q HN 0.998 nan 8.270 nan 0.000 0.415 596 A N 0.566 123.353 122.820 -0.055 0.000 1.863 596 A HA -0.353 3.969 4.320 0.002 0.000 0.218 596 A C 2.019 179.585 177.584 -0.031 0.000 1.233 596 A CA 2.597 54.643 52.037 0.015 0.000 0.655 596 A CB -0.835 18.177 19.000 0.020 0.000 0.839 596 A HN 0.495 nan 8.150 nan 0.000 0.454 597 K N -0.546 119.794 120.400 -0.099 0.000 2.103 597 K HA -0.084 4.238 4.320 0.002 0.000 0.207 597 K C 1.896 178.338 176.600 -0.264 0.000 1.048 597 K CA 1.421 57.633 56.287 -0.125 0.000 0.930 597 K CB -0.418 32.014 32.500 -0.112 0.000 0.716 597 K HN 0.556 nan 8.250 nan 0.000 0.444 598 I N -0.034 120.228 120.570 -0.512 0.000 2.068 598 I HA -0.338 3.833 4.170 0.002 0.000 0.238 598 I C 2.197 178.169 176.117 -0.242 0.000 1.046 598 I CA 1.955 62.807 61.300 -0.748 0.000 1.306 598 I CB -0.588 36.874 38.000 -0.895 0.000 1.023 598 I HN 0.381 nan 8.210 nan 0.000 0.399 599 W N 1.160 122.399 121.300 -0.102 0.000 2.338 599 W HA -0.233 4.429 4.660 0.002 0.000 0.304 599 W C 2.467 178.965 176.519 -0.035 0.000 1.212 599 W CA 0.445 57.762 57.345 -0.046 0.000 1.264 599 W CB -0.365 29.069 29.460 -0.043 0.000 1.142 599 W HN 0.209 nan 8.180 nan 0.000 0.512 600 D N -0.395 120.127 120.400 0.203 0.000 2.106 600 D HA -0.181 4.461 4.640 0.002 0.000 0.191 600 D C 1.990 178.342 176.300 0.087 0.000 0.997 600 D CA 2.243 56.321 54.000 0.130 0.000 0.834 600 D CB -1.098 39.754 40.800 0.087 0.000 0.956 600 D HN 0.046 nan 8.370 nan 0.000 0.448 601 T N 1.290 115.861 114.554 0.029 0.000 2.822 601 T HA -0.115 4.237 4.350 0.002 0.000 0.270 601 T C 2.052 176.631 174.700 -0.202 0.000 1.064 601 T CA 0.657 62.729 62.100 -0.048 0.000 1.131 601 T CB -0.046 68.806 68.868 -0.027 0.000 0.858 601 T HN 0.214 nan 8.240 nan 0.000 0.483 602 I N 0.563 121.069 120.570 -0.106 0.000 2.296 602 I HA -0.025 4.147 4.170 0.002 0.000 0.242 602 I C 2.639 178.888 176.117 0.219 0.000 1.087 602 I CA 1.006 62.284 61.300 -0.037 0.000 1.393 602 I CB -0.740 37.459 38.000 0.332 0.000 1.093 602 I HN 0.258 nan 8.210 nan 0.000 0.421 603 E N 2.018 122.344 120.200 0.210 0.000 2.114 603 E HA -0.231 4.121 4.350 0.002 0.000 0.199 603 E C 1.315 177.992 176.600 0.128 0.000 1.008 603 E CA 1.299 57.799 56.400 0.167 0.000 0.810 603 E CB 0.069 29.863 29.700 0.156 0.000 0.739 603 E HN 0.325 nan 8.360 nan 0.000 0.456 604 K N 0.431 120.895 120.400 0.106 0.000 2.809 604 K HA -0.064 4.257 4.320 0.002 0.000 0.224 604 K C 1.345 177.980 176.600 0.059 0.000 0.946 604 K CA 0.783 57.113 56.287 0.071 0.000 1.059 604 K CB -0.096 32.442 32.500 0.064 0.000 0.877 604 K HN 0.146 nan 8.250 nan 0.000 0.478 605 S N -0.338 115.393 115.700 0.052 0.000 2.575 605 S HA -0.071 4.400 4.470 0.002 0.000 0.230 605 S C 0.454 174.844 174.600 -0.349 0.000 1.062 605 S CA -0.411 57.721 58.200 -0.113 0.000 0.913 605 S CB -0.056 63.145 63.200 0.002 0.000 0.837 605 S HN 0.374 nan 8.310 nan 0.000 0.487 606 D N 2.235 122.554 120.400 -0.135 0.000 2.451 606 D HA -0.042 4.600 4.640 0.002 0.000 0.254 606 D C 0.141 176.365 176.300 -0.125 0.000 1.204 606 D CA -0.332 53.607 54.000 -0.100 0.000 0.896 606 D CB -0.000 40.857 40.800 0.096 0.000 1.136 606 D HN 0.285 nan 8.370 nan 0.000 0.499 607 F N 2.085 122.068 119.950 0.054 0.000 2.529 607 F HA 0.066 4.594 4.527 0.002 0.000 0.297 607 F C 2.279 178.090 175.800 0.018 0.000 1.114 607 F CA 0.658 58.675 58.000 0.028 0.000 1.467 607 F CB -0.568 38.441 39.000 0.014 0.000 1.096 607 F HN 0.480 nan 8.300 nan 0.000 0.586 608 G N -1.103 107.793 108.800 0.159 0.000 2.794 608 G HA2 0.096 4.057 3.960 0.002 0.000 0.249 608 G HA3 0.096 4.057 3.960 0.002 0.000 0.249 608 G C 0.454 175.360 174.900 0.009 0.000 1.236 608 G CA 0.136 45.284 45.100 0.081 0.000 0.880 608 G HN 0.408 nan 8.290 nan 0.000 0.586 609 c N -1.408 117.170 118.600 -0.037 0.000 4.272 609 c HA 0.421 4.993 4.570 0.002 0.000 0.504 609 c C 0.911 174.924 174.090 -0.129 0.000 1.555 609 c CA 0.702 56.991 56.329 -0.067 0.000 2.276 609 c CB -0.623 41.879 42.510 -0.014 0.000 3.414 609 c HN 1.108 nan 8.230 nan 0.000 0.636 610 T N -2.549 111.921 114.554 -0.140 0.000 2.841 610 T HA 0.641 4.992 4.350 0.002 0.000 0.296 610 T C 0.866 175.451 174.700 -0.192 0.000 1.166 610 T CA 0.375 62.376 62.100 -0.165 0.000 1.007 610 T CB 1.354 70.164 68.868 -0.096 0.000 1.253 610 T HN 0.060 nan 8.240 nan 0.000 0.511 611 A N 0.214 122.936 122.820 -0.163 0.000 2.032 611 A HA 0.499 4.821 4.320 0.002 0.000 0.221 611 A C 1.462 179.074 177.584 0.046 0.000 1.165 611 A CA 1.564 53.553 52.037 -0.080 0.000 0.645 611 A CB -1.270 17.730 19.000 0.001 0.000 0.807 611 A HN 2.161 nan 8.150 nan 0.000 0.453 612 G N -2.890 105.931 108.800 0.034 0.000 2.368 612 G HA2 0.499 4.460 3.960 0.002 0.000 0.302 612 G HA3 0.499 4.460 3.960 0.002 0.000 0.302 612 G C 0.056 175.009 174.900 0.088 0.000 1.329 612 G CA 0.173 45.316 45.100 0.072 0.000 0.935 612 G HN 2.117 nan 8.290 nan 0.000 0.590 613 S N -2.231 113.504 115.700 0.057 0.000 3.716 613 S HA 0.429 4.900 4.470 0.002 0.000 0.741 613 S C 0.739 175.400 174.600 0.100 0.000 1.683 613 S CA 1.392 59.602 58.200 0.017 0.000 1.667 613 S CB -0.935 62.291 63.200 0.044 0.000 0.373 613 S HN 2.789 nan 8.310 nan 0.000 0.933 614 G N 0.351 109.075 108.800 -0.127 0.000 3.211 614 G HA2 0.568 4.529 3.960 0.002 0.000 0.262 614 G HA3 0.568 4.529 3.960 0.002 0.000 0.262 614 G C 0.306 174.536 174.900 -1.117 0.000 1.352 614 G CA 0.123 45.075 45.100 -0.246 0.000 1.004 614 G HN 0.753 nan 8.290 nan 0.000 0.559 615 Q N -0.561 118.619 119.800 -1.033 0.000 2.124 615 Q HA -0.046 4.295 4.340 0.002 0.000 0.202 615 Q C 0.507 176.244 176.000 -0.438 0.000 0.977 615 Q CA 1.704 56.946 55.803 -0.935 0.000 0.850 615 Q CB -0.061 28.434 28.738 -0.406 0.000 0.901 615 Q HN 0.679 nan 8.270 nan 0.000 0.429 616 N N -1.958 116.585 118.700 -0.262 0.000 3.308 616 N HA -0.014 4.728 4.740 0.002 0.000 0.276 616 N C 0.050 175.626 175.510 0.110 0.000 1.533 616 N CA -0.172 52.954 53.050 0.127 0.000 0.878 616 N CB -0.086 38.451 38.487 0.084 0.000 1.566 616 N HN -0.222 nan 8.380 nan 0.000 0.546 617 N N 0.317 119.231 118.700 0.356 0.000 2.084 617 N HA -0.136 4.606 4.740 0.002 0.000 0.190 617 N C 1.282 176.874 175.510 0.137 0.000 1.030 617 N CA 1.453 54.665 53.050 0.271 0.000 0.849 617 N CB -0.638 38.010 38.487 0.268 0.000 1.012 617 N HN 0.548 nan 8.380 nan 0.000 0.423 618 L N 0.129 121.365 121.223 0.022 0.000 1.990 618 L HA -0.141 4.200 4.340 0.002 0.000 0.213 618 L C 2.604 179.520 176.870 0.075 0.000 1.072 618 L CA 1.863 56.685 54.840 -0.029 0.000 0.755 618 L CB -1.179 40.852 42.059 -0.047 0.000 0.889 618 L HN 0.465 nan 8.230 nan 0.000 0.432 619 G N -0.835 107.982 108.800 0.029 0.000 2.505 619 G HA2 -0.274 3.687 3.960 0.002 0.000 0.220 619 G HA3 -0.274 3.687 3.960 0.002 0.000 0.220 619 G C 1.588 176.521 174.900 0.055 0.000 1.145 619 G CA 1.064 46.168 45.100 0.006 0.000 0.761 619 G HN 0.241 nan 8.290 nan 0.000 0.571 620 V N 0.383 120.341 119.914 0.073 0.000 2.231 620 V HA -0.208 3.914 4.120 0.002 0.000 0.248 620 V C 2.566 178.744 176.094 0.140 0.000 1.054 620 V CA 2.207 64.555 62.300 0.080 0.000 1.015 620 V CB -0.649 31.208 31.823 0.057 0.000 0.638 620 V HN 0.451 nan 8.190 nan 0.000 0.444 621 F N 0.178 120.136 119.950 0.015 0.000 2.161 621 F HA -0.192 4.336 4.527 0.002 0.000 0.300 621 F C 2.385 178.198 175.800 0.022 0.000 1.089 621 F CA 1.721 59.742 58.000 0.034 0.000 1.282 621 F CB -0.390 38.631 39.000 0.035 0.000 1.010 621 F HN 0.242 nan 8.300 nan 0.000 0.485 622 E N 0.548 120.876 120.200 0.214 0.000 2.000 622 E HA -0.243 4.108 4.350 0.002 0.000 0.199 622 E C 1.764 178.415 176.600 0.085 0.000 1.011 622 E CA 1.728 58.194 56.400 0.110 0.000 0.836 622 E CB -0.396 29.346 29.700 0.070 0.000 0.778 622 E HN 0.299 nan 8.360 nan 0.000 0.462 623 D N 0.227 120.674 120.400 0.079 0.000 2.182 623 D HA -0.134 4.507 4.640 0.002 0.000 0.201 623 D C 1.528 177.859 176.300 0.052 0.000 0.986 623 D CA 1.314 55.353 54.000 0.065 0.000 0.847 623 D CB -0.199 40.651 40.800 0.083 0.000 0.942 623 D HN 0.223 nan 8.370 nan 0.000 0.467 624 A N -0.499 122.351 122.820 0.050 0.000 2.238 624 A HA 0.451 4.773 4.320 0.002 0.000 0.208 624 A C 1.353 178.982 177.584 0.075 0.000 1.177 624 A CA 0.812 52.876 52.037 0.044 0.000 0.804 624 A CB -0.101 18.899 19.000 0.000 0.000 0.823 624 A HN 0.243 nan 8.150 nan 0.000 0.482 625 G N -0.869 107.983 108.800 0.085 0.000 2.842 625 G HA2 -0.032 3.929 3.960 0.002 0.000 0.242 625 G HA3 -0.032 3.929 3.960 0.002 0.000 0.242 625 G C -0.602 174.345 174.900 0.078 0.000 1.135 625 G CA 0.045 45.211 45.100 0.109 0.000 1.048 625 G HN 0.590 nan 8.290 nan 0.000 0.530 626 L N -0.799 120.470 121.223 0.077 0.000 2.622 626 L HA 0.878 5.219 4.340 0.002 0.000 0.258 626 L C 0.162 177.093 176.870 0.101 0.000 0.996 626 L CA -0.599 54.299 54.840 0.096 0.000 0.858 626 L CB 2.071 44.232 42.059 0.170 0.000 1.449 626 L HN 0.787 nan 8.230 nan 0.000 0.411 627 A N 1.462 124.324 122.820 0.069 0.000 2.384 627 A HA 0.974 5.295 4.320 0.002 0.000 0.312 627 A C -1.733 175.888 177.584 0.062 0.000 1.113 627 A CA -0.483 51.577 52.037 0.037 0.000 0.779 627 A CB 1.986 20.964 19.000 -0.037 0.000 1.307 627 A HN 0.538 nan 8.150 nan 0.000 0.436 628 L N -0.000 121.223 121.223 0.001 0.000 2.513 628 L HA 0.760 5.102 4.340 0.002 0.000 0.261 628 L C -0.819 176.009 176.870 -0.070 0.000 0.945 628 L CA 0.322 55.137 54.840 -0.043 0.000 0.848 628 L CB 2.234 44.176 42.059 -0.194 0.000 1.334 628 L HN 0.680 nan 8.230 nan 0.000 0.407 629 T N 2.551 117.079 114.554 -0.042 0.000 2.886 629 T HA 0.810 5.161 4.350 0.002 0.000 0.292 629 T C -0.882 173.808 174.700 -0.018 0.000 1.012 629 T CA -0.133 61.949 62.100 -0.030 0.000 0.982 629 T CB 1.479 70.347 68.868 0.001 0.000 1.018 629 T HN 0.865 nan 8.240 nan 0.000 0.451 630 T N -0.927 113.613 114.554 -0.024 0.000 2.907 630 T HA 0.463 4.814 4.350 0.002 0.000 0.292 630 T C 1.643 176.366 174.700 0.037 0.000 1.043 630 T CA -0.191 61.910 62.100 0.002 0.000 1.003 630 T CB 1.520 70.352 68.868 -0.060 0.000 1.084 630 T HN 0.471 nan 8.240 nan 0.000 0.483 631 S N 0.952 116.711 115.700 0.099 0.000 2.392 631 S HA -0.212 4.259 4.470 0.002 0.000 0.232 631 S C 1.706 176.340 174.600 0.058 0.000 1.041 631 S CA 1.838 60.117 58.200 0.131 0.000 1.026 631 S CB -1.708 61.640 63.200 0.246 0.000 0.845 631 S HN 1.228 nan 8.310 nan 0.000 0.465 632 T N -1.086 113.478 114.554 0.015 0.000 3.473 632 T HA 0.293 4.644 4.350 0.002 0.000 0.247 632 T C 0.179 174.866 174.700 -0.021 0.000 1.010 632 T CA -0.078 62.015 62.100 -0.012 0.000 0.940 632 T CB -1.488 67.356 68.868 -0.040 0.000 1.068 632 T HN 0.426 nan 8.240 nan 0.000 0.604 633 N N 0.348 119.042 118.700 -0.009 0.000 2.698 633 N HA -0.142 4.599 4.740 0.002 0.000 0.258 633 N C -0.858 174.632 175.510 -0.033 0.000 0.978 633 N CA 0.359 53.400 53.050 -0.015 0.000 0.777 633 N CB -1.102 37.381 38.487 -0.006 0.000 0.907 633 N HN 0.558 nan 8.380 nan 0.000 0.543 634 L N 0.460 121.652 121.223 -0.051 0.000 2.287 634 L HA 0.588 4.929 4.340 0.002 0.000 0.287 634 L C -0.720 176.099 176.870 -0.085 0.000 1.022 634 L CA -0.573 54.222 54.840 -0.074 0.000 0.814 634 L CB 1.173 43.171 42.059 -0.102 0.000 1.217 634 L HN 0.101 nan 8.230 nan 0.000 0.420 635 N N 1.757 120.412 118.700 -0.074 0.000 2.242 635 N HA 0.433 5.174 4.740 0.002 0.000 0.292 635 N C -0.847 174.621 175.510 -0.069 0.000 1.125 635 N CA -0.420 52.588 53.050 -0.071 0.000 0.783 635 N CB 1.994 40.456 38.487 -0.041 0.000 1.558 635 N HN 0.690 nan 8.380 nan 0.000 0.472 636 T N -1.053 113.459 114.554 -0.069 0.000 2.856 636 T HA 0.246 4.597 4.350 0.002 0.000 0.306 636 T C 0.630 175.310 174.700 -0.034 0.000 1.062 636 T CA -0.228 61.845 62.100 -0.045 0.000 1.083 636 T CB 0.546 69.401 68.868 -0.021 0.000 0.984 636 T HN 0.151 nan 8.240 nan 0.000 0.542 637 K N 1.280 121.666 120.400 -0.023 0.000 2.455 637 K HA 0.052 4.374 4.320 0.002 0.000 0.269 637 K C 0.711 177.289 176.600 -0.036 0.000 0.972 637 K CA 0.086 56.360 56.287 -0.021 0.000 0.938 637 K CB 0.158 32.652 32.500 -0.010 0.000 0.931 637 K HN 0.547 nan 8.250 nan 0.000 0.507 638 Q N 2.178 121.958 119.800 -0.033 0.000 2.286 638 Q HA 0.015 4.356 4.340 0.002 0.000 0.267 638 Q C -0.426 175.530 176.000 -0.072 0.000 1.028 638 Q CA 0.024 55.794 55.803 -0.055 0.000 0.901 638 Q CB 0.778 29.504 28.738 -0.020 0.000 1.183 638 Q HN 0.295 nan 8.270 nan 0.000 0.392 639 R N 1.644 122.063 120.500 -0.135 0.000 2.522 639 R HA 0.023 4.365 4.340 0.002 0.000 0.284 639 R C 0.823 177.034 176.300 -0.149 0.000 1.032 639 R CA 0.632 56.642 56.100 -0.150 0.000 1.049 639 R CB 0.333 30.497 30.300 -0.226 0.000 0.956 639 R HN 0.534 nan 8.270 nan 0.000 0.422 640 S N 2.412 118.071 115.700 -0.068 0.000 2.336 640 S HA 0.335 4.807 4.470 0.002 0.000 0.216 640 S C -0.081 174.506 174.600 -0.022 0.000 1.032 640 S CA 0.907 59.098 58.200 -0.015 0.000 0.973 640 S CB -0.106 63.106 63.200 0.019 0.000 0.888 640 S HN 0.900 nan 8.310 nan 0.000 0.455 641 A N -1.054 121.753 122.820 -0.022 0.000 2.435 641 A HA 0.544 4.865 4.320 0.002 0.000 0.302 641 A C 0.446 178.070 177.584 0.067 0.000 0.914 641 A CA -0.281 51.757 52.037 0.000 0.000 0.541 641 A CB -0.948 18.077 19.000 0.042 0.000 1.493 641 A HN 1.544 nan 8.150 nan 0.000 0.528 642 A N -0.114 122.777 122.820 0.119 0.000 5.393 642 A HA -0.232 4.089 4.320 0.002 0.000 0.342 642 A C 1.041 178.707 177.584 0.137 0.000 1.698 642 A CA 2.704 54.828 52.037 0.145 0.000 0.727 642 A CB -1.992 17.072 19.000 0.107 0.000 1.446 642 A HN 1.750 nan 8.150 nan 0.000 0.408 643 K N -1.634 118.820 120.400 0.090 0.000 2.410 643 K HA 0.307 4.628 4.320 0.002 0.000 0.259 643 K C -0.097 176.541 176.600 0.064 0.000 1.099 643 K CA 0.683 57.009 56.287 0.066 0.000 0.844 643 K CB -0.172 32.356 32.500 0.047 0.000 1.096 643 K HN 0.813 nan 8.250 nan 0.000 0.504 644 c N 1.083 119.707 118.600 0.041 0.000 2.797 644 c HA 0.351 4.922 4.570 0.002 0.000 0.306 644 c C -2.476 171.627 174.090 0.021 0.000 1.207 644 c CA -1.634 54.715 56.329 0.033 0.000 1.507 644 c CB 1.031 43.556 42.510 0.025 0.000 2.028 644 c HN 0.663 nan 8.230 nan 0.000 0.475 645 P HA 0.110 nan 4.420 nan 0.000 0.261 645 P C -0.485 176.819 177.300 0.007 0.000 1.203 645 P CA 0.475 63.585 63.100 0.017 0.000 0.767 645 P CB 0.414 32.125 31.700 0.019 0.000 0.785 646 Q N 3.968 123.771 119.800 0.005 0.000 2.524 646 Q HA 0.139 4.480 4.340 0.002 0.000 0.246 646 Q C -1.600 174.397 176.000 -0.005 0.000 1.063 646 Q CA -0.460 55.340 55.803 -0.004 0.000 0.945 646 Q CB -1.023 27.714 28.738 -0.002 0.000 1.292 646 Q HN 0.410 nan 8.270 nan 0.000 0.518 647 P HA -0.217 nan 4.420 nan 0.000 0.210 647 P C -1.607 175.689 177.300 -0.007 0.000 0.974 647 P CA 0.929 64.019 63.100 -0.017 0.000 0.899 647 P CB -0.571 31.120 31.700 -0.014 0.000 0.907 736 E N 1.272 121.501 120.200 0.050 0.000 2.849 736 E HA -0.084 4.267 4.350 0.002 0.000 0.288 736 E C 0.398 176.960 176.600 -0.063 0.000 1.469 736 E CA 0.841 57.281 56.400 0.067 0.000 1.339 736 E CB 0.247 29.991 29.700 0.073 0.000 0.972 736 E HN 0.200 nan 8.360 nan 0.000 0.619 737 D N -1.720 118.664 120.400 -0.026 0.000 3.164 737 D HA -0.190 4.451 4.640 0.002 0.000 0.194 737 D C 1.039 177.232 176.300 -0.179 0.000 1.437 737 D CA 2.066 56.021 54.000 -0.075 0.000 2.125 737 D CB -1.581 39.171 40.800 -0.080 0.000 1.321 737 D HN 0.554 nan 8.370 nan 0.000 0.465 738 G N -0.599 107.949 108.800 -0.420 0.000 3.135 738 G HA2 0.312 4.274 3.960 0.002 0.000 0.208 738 G HA3 0.312 4.274 3.960 0.002 0.000 0.208 738 G C 0.244 174.742 174.900 -0.669 0.000 1.212 738 G CA 0.592 45.346 45.100 -0.577 0.000 0.928 738 G HN 0.304 nan 8.290 nan 0.000 0.500 739 F N -1.606 118.359 119.950 0.024 0.000 2.764 739 F HA 0.631 5.159 4.527 0.002 0.000 0.347 739 F C -0.228 175.578 175.800 0.010 0.000 1.151 739 F CA -1.935 56.079 58.000 0.025 0.000 1.021 739 F CB 0.768 39.794 39.000 0.043 0.000 1.438 739 F HN -0.299 nan 8.300 nan 0.000 0.516 740 I N 1.507 122.228 120.570 0.251 0.000 2.331 740 I HA 0.475 4.646 4.170 0.002 0.000 0.292 740 I C 0.158 176.347 176.117 0.120 0.000 0.998 740 I CA -0.750 60.627 61.300 0.128 0.000 1.267 740 I CB 0.710 38.764 38.000 0.091 0.000 1.386 740 I HN 0.588 nan 8.210 nan 0.000 0.476 741 A N 5.069 127.941 122.820 0.087 0.000 2.520 741 A HA 0.076 4.397 4.320 0.002 0.000 0.245 741 A C 1.406 179.029 177.584 0.064 0.000 1.072 741 A CA -0.037 52.045 52.037 0.075 0.000 0.761 741 A CB -0.056 18.977 19.000 0.055 0.000 1.004 741 A HN 0.847 nan 8.150 nan 0.000 0.499 742 D N 2.700 123.138 120.400 0.064 0.000 2.218 742 D HA -0.190 4.451 4.640 0.002 0.000 0.204 742 D C 1.548 177.877 176.300 0.049 0.000 0.976 742 D CA 1.807 55.842 54.000 0.058 0.000 0.853 742 D CB -0.419 40.415 40.800 0.057 0.000 0.939 742 D HN 0.535 nan 8.370 nan 0.000 0.481 743 S N -0.550 115.177 115.700 0.044 0.000 2.493 743 S HA -0.135 4.336 4.470 0.002 0.000 0.243 743 S C 1.083 175.701 174.600 0.031 0.000 0.991 743 S CA 1.081 59.302 58.200 0.035 0.000 0.957 743 S CB 0.004 63.223 63.200 0.031 0.000 0.756 743 S HN 0.149 nan 8.310 nan 0.000 0.521 744 D N 0.227 120.648 120.400 0.034 0.000 2.417 744 D HA 0.338 4.979 4.640 0.002 0.000 0.207 744 D C 0.126 176.446 176.300 0.034 0.000 1.075 744 D CA -0.128 53.889 54.000 0.028 0.000 0.851 744 D CB 0.205 41.020 40.800 0.026 0.000 0.976 744 D HN 0.371 nan 8.370 nan 0.000 0.505 745 I N 3.419 124.016 120.570 0.045 0.000 2.363 745 I HA 0.057 4.228 4.170 0.002 0.000 0.292 745 I C -0.297 175.846 176.117 0.044 0.000 1.075 745 I CA -0.305 61.027 61.300 0.054 0.000 1.333 745 I CB 0.321 38.364 38.000 0.071 0.000 1.415 745 I HN -0.109 nan 8.210 nan 0.000 0.502 746 I N 4.921 125.512 120.570 0.035 0.000 2.321 746 I HA 0.357 4.528 4.170 0.002 0.000 0.291 746 I C 0.119 176.247 176.117 0.019 0.000 0.998 746 I CA -0.427 60.885 61.300 0.020 0.000 1.227 746 I CB 0.886 38.887 38.000 0.002 0.000 1.368 746 I HN 0.356 nan 8.210 nan 0.000 0.466 747 S N 6.397 122.110 115.700 0.022 0.000 2.545 747 S HA 0.435 4.907 4.470 0.002 0.000 0.275 747 S C 0.270 174.869 174.600 -0.001 0.000 1.299 747 S CA -0.854 57.364 58.200 0.029 0.000 1.048 747 S CB 0.909 64.136 63.200 0.045 0.000 0.938 747 S HN 0.580 nan 8.310 nan 0.000 0.496 748 R N 1.546 122.043 120.500 -0.005 0.000 2.522 748 R HA 0.178 4.519 4.340 0.002 0.000 0.284 748 R C 1.002 177.270 176.300 -0.052 0.000 1.032 748 R CA 0.363 56.404 56.100 -0.099 0.000 1.049 748 R CB 0.364 30.605 30.300 -0.099 0.000 0.956 748 R HN 0.955 nan 8.270 nan 0.000 0.422 749 S N -0.062 115.505 115.700 -0.223 0.000 2.648 749 S HA -0.001 4.470 4.470 0.002 0.000 0.270 749 S C 0.017 174.476 174.600 -0.235 0.000 1.080 749 S CA -0.442 57.733 58.200 -0.042 0.000 1.159 749 S CB 0.540 63.731 63.200 -0.014 0.000 1.091 749 S HN 0.528 nan 8.310 nan 0.000 0.605 750 D N 1.127 121.143 120.400 -0.641 0.000 2.373 750 D HA 0.465 5.106 4.640 0.002 0.000 0.227 750 D C -1.649 174.170 176.300 -0.801 0.000 1.091 750 D CA -0.417 53.275 54.000 -0.514 0.000 0.840 750 D CB 0.449 41.036 40.800 -0.355 0.000 1.060 750 D HN 0.317 nan 8.370 nan 0.000 0.502 751 F N 5.056 124.984 119.950 -0.037 0.000 2.949 751 F HA 0.311 4.839 4.527 0.002 0.000 0.376 751 F C -1.759 174.065 175.800 0.041 0.000 1.205 751 F CA -1.379 56.626 58.000 0.008 0.000 1.155 751 F CB 1.410 40.402 39.000 -0.014 0.000 1.495 751 F HN 0.117 nan 8.300 nan 0.000 0.551 752 P HA 0.437 nan 4.420 nan 0.000 0.312 752 P C -0.283 177.216 177.300 0.332 0.000 1.308 752 P CA -0.283 62.939 63.100 0.204 0.000 0.743 752 P CB 1.814 33.586 31.700 0.120 0.000 1.364 753 K N -1.589 118.992 120.400 0.301 0.000 2.511 753 K HA 0.187 4.508 4.320 0.002 0.000 0.209 753 K C 0.041 176.877 176.600 0.393 0.000 1.301 753 K CA 0.130 56.601 56.287 0.306 0.000 0.967 753 K CB 0.549 33.113 32.500 0.107 0.000 1.109 753 K HN 0.497 nan 8.250 nan 0.000 0.561 754 S N 0.779 116.680 115.700 0.335 0.000 2.614 754 S HA 0.620 5.091 4.470 0.002 0.000 0.275 754 S C -1.264 173.536 174.600 0.333 0.000 1.161 754 S CA -1.065 57.317 58.200 0.303 0.000 0.969 754 S CB 1.069 64.379 63.200 0.183 0.000 1.059 754 S HN 0.318 nan 8.310 nan 0.000 0.482 755 W N 1.712 123.001 121.300 -0.020 0.000 2.988 755 W HA 0.729 5.390 4.660 0.002 0.000 0.355 755 W C -0.820 175.690 176.519 -0.016 0.000 1.233 755 W CA -1.541 55.778 57.345 -0.043 0.000 1.176 755 W CB 0.155 29.511 29.460 -0.173 0.000 1.477 755 W HN 1.155 nan 8.180 nan 0.000 0.582 756 L N 1.357 122.595 121.223 0.026 0.000 3.600 756 L HA -0.182 4.159 4.340 0.002 0.000 0.424 756 L C -0.295 176.509 176.870 -0.110 0.000 1.260 756 L CA -0.196 54.530 54.840 -0.190 0.000 0.883 756 L CB -1.562 40.054 42.059 -0.738 0.000 1.895 756 L HN 0.678 nan 8.230 nan 0.000 0.827 757 W N 3.169 124.399 121.300 -0.116 0.000 2.429 757 W HA 0.428 5.089 4.660 0.002 0.000 0.431 757 W C -0.453 176.007 176.519 -0.099 0.000 1.038 757 W CA -0.308 56.977 57.345 -0.100 0.000 1.635 757 W CB 0.043 29.460 29.460 -0.071 0.000 1.721 757 W HN 0.200 nan 8.180 nan 0.000 0.366 758 L N 3.927 124.980 121.223 -0.284 0.000 2.303 758 L HA 0.526 4.867 4.340 0.002 0.000 0.266 758 L C 0.194 176.906 176.870 -0.263 0.000 1.011 758 L CA -0.724 53.994 54.840 -0.204 0.000 0.818 758 L CB 2.315 44.270 42.059 -0.173 0.000 1.326 758 L HN -0.108 nan 8.230 nan 0.000 0.435 759 T N 1.649 116.116 114.554 -0.145 0.000 2.963 759 T HA 0.338 4.689 4.350 0.002 0.000 0.328 759 T C -0.466 174.213 174.700 -0.035 0.000 1.048 759 T CA -0.710 61.339 62.100 -0.085 0.000 1.033 759 T CB 0.786 69.637 68.868 -0.029 0.000 1.010 759 T HN 0.304 nan 8.240 nan 0.000 0.469 760 K N 2.038 122.409 120.400 -0.047 0.000 2.166 760 K HA 0.539 4.860 4.320 0.002 0.000 0.245 760 K C -0.851 175.748 176.600 -0.001 0.000 0.967 760 K CA -0.908 55.363 56.287 -0.028 0.000 0.863 760 K CB 1.614 34.078 32.500 -0.060 0.000 1.107 760 K HN 0.411 nan 8.250 nan 0.000 0.436 761 D N 1.962 122.368 120.400 0.009 0.000 2.492 761 D HA 0.210 4.851 4.640 0.002 0.000 0.248 761 D C -0.581 175.725 176.300 0.011 0.000 1.101 761 D CA -0.627 53.387 54.000 0.023 0.000 0.840 761 D CB 1.429 42.252 40.800 0.038 0.000 1.209 761 D HN 0.090 nan 8.370 nan 0.000 0.524 762 L N 2.700 123.928 121.223 0.008 0.000 2.451 762 L HA 0.123 4.464 4.340 0.002 0.000 0.272 762 L C 1.076 177.949 176.870 0.006 0.000 1.258 762 L CA 0.201 55.041 54.840 -0.000 0.000 1.132 762 L CB -0.839 41.216 42.059 -0.007 0.000 1.361 762 L HN 0.255 nan 8.230 nan 0.000 0.438 763 T N -0.467 114.090 114.554 0.006 0.000 3.471 763 T HA 0.622 4.973 4.350 0.002 0.000 0.355 763 T C -0.151 174.552 174.700 0.005 0.000 1.775 763 T CA -0.724 61.381 62.100 0.009 0.000 1.305 763 T CB -0.483 68.392 68.868 0.012 0.000 1.171 763 T HN 0.595 nan 8.240 nan 0.000 0.776 764 E N 0.114 120.316 120.200 0.002 0.000 2.388 764 E HA 0.361 4.712 4.350 0.002 0.000 0.289 764 E C -1.443 175.156 176.600 -0.001 0.000 0.944 764 E CA -1.182 55.218 56.400 0.000 0.000 0.792 764 E CB 0.752 30.451 29.700 -0.002 0.000 1.239 764 E HN 0.178 nan 8.360 nan 0.000 0.412 765 E N 3.016 123.216 120.200 -0.000 0.000 2.765 765 E HA 0.004 4.355 4.350 0.002 0.000 0.256 765 E C -2.072 174.526 176.600 -0.003 0.000 0.935 765 E CA -0.254 56.146 56.400 -0.001 0.000 0.954 765 E CB -0.223 29.477 29.700 0.000 0.000 0.908 765 E HN 0.278 nan 8.360 nan 0.000 0.500 766 P HA 0.043 nan 4.420 nan 0.000 0.282 766 P C -0.718 176.579 177.300 -0.006 0.000 1.286 766 P CA -0.422 62.675 63.100 -0.006 0.000 0.777 766 P CB 0.587 32.283 31.700 -0.006 0.000 1.184 767 N N -2.522 116.173 118.700 -0.007 0.000 2.813 767 N HA 0.204 4.946 4.740 0.002 0.000 0.320 767 N C 0.672 176.178 175.510 -0.006 0.000 1.315 767 N CA -0.718 52.328 53.050 -0.006 0.000 0.871 767 N CB -0.625 37.858 38.487 -0.007 0.000 1.241 767 N HN 0.018 nan 8.380 nan 0.000 0.602 768 S N -1.220 114.476 115.700 -0.005 0.000 2.440 768 S HA -0.167 4.305 4.470 0.002 0.000 0.240 768 S C 1.242 175.839 174.600 -0.006 0.000 1.014 768 S CA 1.216 59.413 58.200 -0.005 0.000 0.980 768 S CB -0.349 62.849 63.200 -0.005 0.000 0.775 768 S HN 0.582 nan 8.310 nan 0.000 0.499 769 Q N 0.028 119.824 119.800 -0.008 0.000 2.424 769 Q HA 0.209 4.550 4.340 0.002 0.000 0.204 769 Q C 1.430 177.424 176.000 -0.010 0.000 0.933 769 Q CA 0.800 56.597 55.803 -0.009 0.000 0.929 769 Q CB -0.121 28.610 28.738 -0.012 0.000 1.037 769 Q HN 0.534 nan 8.270 nan 0.000 0.511 770 G N -0.364 108.430 108.800 -0.010 0.000 2.175 770 G HA2 -0.208 3.754 3.960 0.002 0.000 0.244 770 G HA3 -0.208 3.754 3.960 0.002 0.000 0.244 770 G C 0.167 175.059 174.900 -0.014 0.000 0.982 770 G CA 0.222 45.316 45.100 -0.011 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 -0.016 0.000 2.764 771 I HA 0.597 4.768 4.170 0.002 0.000 0.294 771 I C 0.913 177.020 176.117 -0.016 0.000 1.045 771 I CA -0.199 61.090 61.300 -0.019 0.000 1.340 771 I CB 0.985 38.972 38.000 -0.021 0.000 1.436 771 I HN 0.515 nan 8.210 nan 0.000 0.567 772 S N 1.617 117.306 115.700 -0.019 0.000 2.548 772 S HA 0.563 5.034 4.470 0.002 0.000 0.286 772 S C -0.500 174.088 174.600 -0.020 0.000 1.098 772 S CA -0.704 57.487 58.200 -0.016 0.000 0.930 772 S CB 1.929 65.121 63.200 -0.013 0.000 1.070 772 S HN 0.509 nan 8.310 nan 0.000 0.480 773 S N 1.064 116.753 115.700 -0.018 0.000 2.399 773 S HA 0.377 4.848 4.470 0.002 0.000 0.215 773 S C -0.696 173.893 174.600 -0.020 0.000 1.456 773 S CA -0.647 57.540 58.200 -0.021 0.000 1.199 773 S CB -0.031 63.158 63.200 -0.017 0.000 1.063 773 S HN 0.707 nan 8.310 nan 0.000 0.476 774 K N 2.861 123.245 120.400 -0.026 0.000 2.262 774 K HA 0.371 4.692 4.320 0.002 0.000 0.282 774 K C -0.200 176.380 176.600 -0.034 0.000 1.066 774 K CA -0.187 56.084 56.287 -0.027 0.000 0.901 774 K CB 0.471 32.953 32.500 -0.031 0.000 1.089 774 K HN 0.350 nan 8.250 nan 0.000 0.476 775 T N 4.438 118.978 114.554 -0.023 0.000 2.913 775 T HA 0.383 4.735 4.350 0.002 0.000 0.287 775 T C -0.248 174.434 174.700 -0.030 0.000 1.008 775 T CA -0.580 61.508 62.100 -0.020 0.000 1.067 775 T CB 0.791 69.659 68.868 0.001 0.000 0.996 775 T HN 0.737 nan 8.240 nan 0.000 0.513 776 M N 2.563 122.140 119.600 -0.039 0.000 2.255 776 M HA 0.406 4.887 4.480 0.002 0.000 0.275 776 M C -0.819 175.466 176.300 -0.025 0.000 1.050 776 M CA -0.539 54.719 55.300 -0.070 0.000 0.978 776 M CB 1.557 34.056 32.600 -0.168 0.000 1.761 776 M HN 0.694 nan 8.290 nan 0.000 0.479 777 S N 5.145 120.880 115.700 0.057 0.000 2.617 777 S HA 0.959 5.430 4.470 0.002 0.000 0.283 777 S C -0.666 174.138 174.600 0.338 0.000 1.189 777 S CA -0.458 57.868 58.200 0.210 0.000 1.036 777 S CB 1.119 64.402 63.200 0.138 0.000 1.014 777 S HN 0.940 nan 8.310 nan 0.000 0.522 778 F N -1.505 118.473 119.950 0.047 0.000 2.769 778 F HA 0.468 4.996 4.527 0.002 0.000 0.313 778 F C -1.946 174.003 175.800 0.249 0.000 1.146 778 F CA -1.633 56.397 58.000 0.050 0.000 0.934 778 F CB 0.733 39.773 39.000 0.065 0.000 1.283 778 F HN 0.575 nan 8.300 nan 0.000 0.443 779 Y N 3.310 123.540 120.300 -0.117 0.000 2.308 779 Y HA 0.335 4.886 4.550 0.002 0.000 0.329 779 Y C 0.658 176.300 175.900 -0.430 0.000 1.111 779 Y CA -1.271 56.674 58.100 -0.259 0.000 1.179 779 Y CB 1.421 39.797 38.460 -0.139 0.000 1.201 779 Y HN 0.384 nan 8.280 nan 0.000 0.483 780 L N 3.222 124.257 121.223 -0.314 0.000 2.440 780 L HA 0.180 4.522 4.340 0.002 0.000 0.184 780 L C 0.343 176.840 176.870 -0.621 0.000 1.111 780 L CA 0.384 54.969 54.840 -0.425 0.000 0.910 780 L CB 0.223 42.157 42.059 -0.209 0.000 1.455 780 L HN 0.704 nan 8.230 nan 0.000 0.523 781 R N -0.308 119.852 120.500 -0.565 0.000 2.912 781 R HA 0.225 4.567 4.340 0.002 0.000 0.262 781 R C 0.314 176.461 176.300 -0.254 0.000 1.057 781 R CA -0.725 55.057 56.100 -0.530 0.000 0.981 781 R CB 0.500 30.308 30.300 -0.819 0.000 1.201 781 R HN 0.395 nan 8.270 nan 0.000 0.484 782 D N 0.169 120.347 120.400 -0.370 0.000 2.348 782 D HA 0.003 4.645 4.640 0.002 0.000 0.216 782 D C -0.116 175.945 176.300 -0.398 0.000 0.970 782 D CA 0.732 54.468 54.000 -0.439 0.000 0.889 782 D CB 0.184 40.578 40.800 -0.675 0.000 0.912 782 D HN 0.228 nan 8.370 nan 0.000 0.524 783 S N 0.429 116.006 115.700 -0.206 0.000 2.558 783 S HA 0.025 4.496 4.470 0.002 0.000 0.291 783 S C 1.567 176.104 174.600 -0.106 0.000 1.306 783 S CA -0.213 57.986 58.200 -0.002 0.000 1.056 783 S CB 0.557 63.783 63.200 0.043 0.000 0.836 783 S HN 0.186 nan 8.310 nan 0.000 0.504 784 I N 0.699 121.196 120.570 -0.122 0.000 3.749 784 I HA 0.117 4.288 4.170 0.002 0.000 0.314 784 I C 1.112 177.054 176.117 -0.291 0.000 1.278 784 I CA -0.074 61.033 61.300 -0.323 0.000 1.158 784 I CB -0.790 36.906 38.000 -0.507 0.000 1.018 784 I HN 0.440 nan 8.210 nan 0.000 0.435 785 T N -0.341 114.043 114.554 -0.283 0.000 2.688 785 T HA 0.375 4.727 4.350 0.002 0.000 0.249 785 T C -0.008 174.518 174.700 -0.290 0.000 0.944 785 T CA -0.193 61.758 62.100 -0.247 0.000 1.058 785 T CB 1.856 70.502 68.868 -0.371 0.000 1.673 785 T HN 0.048 nan 8.240 nan 0.000 0.565 786 T N 1.673 116.050 114.554 -0.294 0.000 2.833 786 T HA 0.453 4.804 4.350 0.002 0.000 0.297 786 T C -1.006 173.575 174.700 -0.197 0.000 1.015 786 T CA -0.360 61.624 62.100 -0.194 0.000 0.963 786 T CB 0.061 68.912 68.868 -0.027 0.000 0.955 786 T HN 0.438 nan 8.240 nan 0.000 0.449 787 W N 2.321 123.676 121.300 0.093 0.000 2.093 787 W HA 0.544 5.205 4.660 0.002 0.000 0.352 787 W C -0.068 176.450 176.519 -0.001 0.000 1.294 787 W CA -0.633 56.769 57.345 0.095 0.000 1.290 787 W CB 0.634 30.200 29.460 0.177 0.000 1.149 787 W HN 0.221 nan 8.180 nan 0.000 0.606 788 V N 2.640 122.702 119.914 0.248 0.000 2.624 788 V HA 0.143 4.264 4.120 0.002 0.000 0.294 788 V C -0.443 175.586 176.094 -0.107 0.000 1.077 788 V CA -1.027 61.282 62.300 0.014 0.000 0.905 788 V CB 1.239 33.039 31.823 -0.038 0.000 1.025 788 V HN 0.374 nan 8.190 nan 0.000 0.440 789 V N 4.190 124.009 119.914 -0.158 0.000 2.607 789 V HA 0.716 4.837 4.120 0.002 0.000 0.289 789 V C -0.493 175.497 176.094 -0.174 0.000 1.053 789 V CA -0.650 61.529 62.300 -0.202 0.000 0.996 789 V CB 1.341 33.034 31.823 -0.217 0.000 0.995 789 V HN 0.529 nan 8.190 nan 0.000 0.476 790 L N 3.792 124.892 121.223 -0.204 0.000 2.362 790 L HA 0.867 5.208 4.340 0.002 0.000 0.275 790 L C 0.212 176.982 176.870 -0.167 0.000 0.998 790 L CA -0.341 54.395 54.840 -0.172 0.000 0.820 790 L CB 1.680 43.627 42.059 -0.186 0.000 1.270 790 L HN 1.002 nan 8.230 nan 0.000 0.415 791 A N 3.093 125.835 122.820 -0.130 0.000 2.350 791 A HA 0.913 5.234 4.320 0.002 0.000 0.324 791 A C -1.161 176.350 177.584 -0.121 0.000 1.118 791 A CA -0.600 51.358 52.037 -0.132 0.000 0.783 791 A CB 1.642 20.573 19.000 -0.114 0.000 1.236 791 A HN 0.400 nan 8.150 nan 0.000 0.457 792 V N 1.958 121.802 119.914 -0.118 0.000 2.588 792 V HA 0.650 4.771 4.120 0.002 0.000 0.304 792 V C -0.024 175.969 176.094 -0.170 0.000 1.042 792 V CA -0.193 62.001 62.300 -0.177 0.000 0.877 792 V CB 2.145 33.837 31.823 -0.218 0.000 0.996 792 V HN 1.147 nan 8.190 nan 0.000 0.425 793 S N 5.184 120.761 115.700 -0.205 0.000 2.552 793 S HA 0.699 5.170 4.470 0.002 0.000 0.314 793 S C -1.039 173.494 174.600 -0.111 0.000 1.099 793 S CA -0.489 57.645 58.200 -0.109 0.000 1.070 793 S CB 1.135 64.279 63.200 -0.093 0.000 0.998 793 S HN 0.545 nan 8.310 nan 0.000 0.474 794 F N 3.037 122.915 119.950 -0.119 0.000 2.399 794 F HA 0.714 5.242 4.527 0.002 0.000 0.334 794 F C -0.191 175.593 175.800 -0.027 0.000 1.097 794 F CA 0.133 58.094 58.000 -0.065 0.000 1.076 794 F CB 1.794 40.833 39.000 0.064 0.000 1.162 794 F HN 0.696 nan 8.300 nan 0.000 0.495 795 T N 6.446 120.528 114.554 -0.787 0.000 2.933 795 T HA 0.262 4.614 4.350 0.002 0.000 0.305 795 T C -2.228 172.078 174.700 -0.656 0.000 1.092 795 T CA -1.075 60.768 62.100 -0.429 0.000 1.008 795 T CB 2.012 70.710 68.868 -0.283 0.000 1.102 795 T HN 0.256 nan 8.240 nan 0.000 0.469 796 P HA -0.166 nan 4.420 nan 0.000 0.212 796 P C 1.868 179.074 177.300 -0.156 0.000 1.178 796 P CA 1.787 64.858 63.100 -0.049 0.000 0.915 796 P CB -0.114 31.606 31.700 0.033 0.000 0.788 797 T N -3.333 111.143 114.554 -0.131 0.000 2.894 797 T HA 0.022 4.374 4.350 0.002 0.000 0.258 797 T C 1.574 176.177 174.700 -0.161 0.000 1.043 797 T CA 0.788 62.818 62.100 -0.116 0.000 1.141 797 T CB -0.622 68.204 68.868 -0.070 0.000 0.873 797 T HN -0.094 nan 8.240 nan 0.000 0.449 798 K N 1.788 122.071 120.400 -0.194 0.000 2.487 798 K HA 0.316 4.638 4.320 0.002 0.000 0.192 798 K C 1.676 178.132 176.600 -0.239 0.000 1.027 798 K CA 0.624 56.807 56.287 -0.173 0.000 1.054 798 K CB -0.656 31.759 32.500 -0.141 0.000 0.824 798 K HN 0.658 nan 8.250 nan 0.000 0.510 799 G N 1.891 110.442 108.800 -0.414 0.000 2.552 799 G HA2 -0.326 3.636 3.960 0.002 0.000 0.265 799 G HA3 -0.326 3.636 3.960 0.002 0.000 0.265 799 G C 0.073 174.696 174.900 -0.461 0.000 1.234 799 G CA -0.161 44.656 45.100 -0.472 0.000 0.944 799 G HN 0.231 nan 8.290 nan 0.000 0.568 800 I N -0.266 120.124 120.570 -0.299 0.000 2.713 800 I HA 0.525 4.696 4.170 0.002 0.000 0.300 800 I C 0.307 176.256 176.117 -0.280 0.000 1.009 800 I CA -0.104 61.027 61.300 -0.280 0.000 1.305 800 I CB 1.434 39.302 38.000 -0.219 0.000 1.430 800 I HN 0.770 nan 8.210 nan 0.000 0.546 801 c N 5.291 123.714 118.600 -0.295 0.000 2.817 801 c HA 0.368 4.940 4.570 0.002 0.000 0.385 801 c C -0.616 173.342 174.090 -0.220 0.000 1.050 801 c CA -0.499 55.695 56.329 -0.226 0.000 1.245 801 c CB 0.560 42.972 42.510 -0.164 0.000 1.706 801 c HN 0.487 nan 8.230 nan 0.000 0.488 802 V N 5.900 125.696 119.914 -0.196 0.000 2.546 802 V HA 0.672 4.794 4.120 0.002 0.000 0.284 802 V C 0.935 176.966 176.094 -0.104 0.000 1.050 802 V CA 0.556 62.764 62.300 -0.154 0.000 0.981 802 V CB 1.567 33.303 31.823 -0.144 0.000 0.990 802 V HN 1.091 nan 8.190 nan 0.000 0.474 803 A N 4.866 127.633 122.820 -0.088 0.000 2.252 803 A HA 0.619 4.940 4.320 0.002 0.000 0.305 803 A C 0.058 177.620 177.584 -0.036 0.000 1.097 803 A CA -0.568 51.431 52.037 -0.064 0.000 0.849 803 A CB 0.457 19.417 19.000 -0.066 0.000 1.142 803 A HN 0.690 nan 8.150 nan 0.000 0.499 804 E N 1.326 121.512 120.200 -0.022 0.000 2.220 804 E HA 0.235 4.586 4.350 0.002 0.000 0.272 804 E C -2.226 174.391 176.600 0.029 0.000 1.099 804 E CA -1.781 54.621 56.400 0.003 0.000 0.907 804 E CB 0.060 29.756 29.700 -0.006 0.000 1.022 804 E HN 0.191 nan 8.360 nan 0.000 0.428 805 P HA -0.141 nan 4.420 nan 0.000 0.257 805 P C -0.829 176.553 177.300 0.137 0.000 1.162 805 P CA 0.555 63.681 63.100 0.044 0.000 0.762 805 P CB -0.088 31.667 31.700 0.092 0.000 0.753 806 Y N 3.572 123.852 120.300 -0.035 0.000 2.356 806 Y HA 0.304 4.856 4.550 0.002 0.000 0.334 806 Y C 0.088 176.011 175.900 0.038 0.000 0.958 806 Y CA -1.760 56.341 58.100 0.002 0.000 1.196 806 Y CB 0.698 39.151 38.460 -0.011 0.000 1.137 806 Y HN 0.341 nan 8.280 nan 0.000 0.485 807 E N 6.360 126.715 120.200 0.259 0.000 2.316 807 E HA 0.311 4.662 4.350 0.002 0.000 0.275 807 E C -0.869 175.641 176.600 -0.150 0.000 1.029 807 E CA -0.131 56.300 56.400 0.052 0.000 0.871 807 E CB 1.405 31.195 29.700 0.151 0.000 1.022 807 E HN 0.643 nan 8.360 nan 0.000 0.418 808 I N 3.027 123.517 120.570 -0.133 0.000 2.465 808 I HA 0.318 4.489 4.170 0.002 0.000 0.291 808 I C -0.718 175.472 176.117 0.121 0.000 1.014 808 I CA -0.782 60.491 61.300 -0.045 0.000 1.093 808 I CB 1.316 39.287 38.000 -0.049 0.000 1.267 808 I HN 0.374 nan 8.210 nan 0.000 0.431 809 R N 6.259 126.832 120.500 0.121 0.000 2.439 809 R HA 0.642 4.983 4.340 0.002 0.000 0.310 809 R C -2.003 174.352 176.300 0.093 0.000 0.955 809 R CA -0.481 55.677 56.100 0.097 0.000 0.853 809 R CB 1.837 32.196 30.300 0.100 0.000 1.171 809 R HN 0.419 nan 8.270 nan 0.000 0.449 810 V N 6.057 126.001 119.914 0.049 0.000 2.417 810 V HA 0.593 4.714 4.120 0.002 0.000 0.291 810 V C -0.502 175.584 176.094 -0.012 0.000 1.024 810 V CA -0.551 61.767 62.300 0.031 0.000 0.861 810 V CB 1.642 33.478 31.823 0.021 0.000 0.985 810 V HN 0.877 nan 8.190 nan 0.000 0.436 811 M N 6.509 126.112 119.600 0.005 0.000 2.534 811 M HA 0.638 5.120 4.480 0.002 0.000 0.280 811 M C -1.871 174.454 176.300 0.042 0.000 1.217 811 M CA -0.506 54.794 55.300 -0.000 0.000 0.893 811 M CB 2.333 34.989 32.600 0.094 0.000 1.730 811 M HN 0.615 nan 8.290 nan 0.000 0.483 812 K N 2.215 122.673 120.400 0.095 0.000 2.546 812 K HA 0.538 4.859 4.320 0.002 0.000 0.264 812 K C -0.468 176.261 176.600 0.216 0.000 0.937 812 K CA -0.676 55.711 56.287 0.167 0.000 0.833 812 K CB 1.641 34.237 32.500 0.159 0.000 1.378 812 K HN 0.558 nan 8.250 nan 0.000 0.432 813 V N -0.010 119.981 119.914 0.129 0.000 3.140 813 V HA 0.020 4.141 4.120 0.002 0.000 0.269 813 V C 0.244 176.276 176.094 -0.104 0.000 1.149 813 V CA 0.854 63.145 62.300 -0.016 0.000 1.162 813 V CB -1.635 30.077 31.823 -0.185 0.000 0.756 813 V HN 0.658 nan 8.190 nan 0.000 0.523 814 F N 1.486 121.312 119.950 -0.207 0.000 2.623 814 F HA 0.634 5.163 4.527 0.002 0.000 0.323 814 F C -1.090 174.629 175.800 -0.134 0.000 1.158 814 F CA -2.053 55.754 58.000 -0.321 0.000 1.030 814 F CB 1.597 40.487 39.000 -0.182 0.000 1.280 814 F HN 0.030 nan 8.300 nan 0.000 0.474 815 F N 4.056 123.486 119.950 -0.866 0.000 3.194 815 F HA 0.698 5.227 4.527 0.002 0.000 0.327 815 F C -2.096 173.404 175.800 -0.501 0.000 1.141 815 F CA -2.052 55.578 58.000 -0.618 0.000 0.862 815 F CB 0.796 39.600 39.000 -0.326 0.000 1.447 815 F HN 0.305 nan 8.300 nan 0.000 0.479 816 I N 1.284 121.956 120.570 0.171 0.000 2.382 816 I HA 0.427 4.598 4.170 0.002 0.000 0.285 816 I C -1.164 175.062 176.117 0.182 0.000 1.007 816 I CA -0.578 60.786 61.300 0.107 0.000 1.142 816 I CB 1.173 39.170 38.000 -0.004 0.000 1.289 816 I HN 0.349 nan 8.210 nan 0.000 0.453 817 D N 5.255 125.824 120.400 0.281 0.000 2.302 817 D HA 0.362 5.003 4.640 0.002 0.000 0.248 817 D C -0.626 175.710 176.300 0.060 0.000 1.094 817 D CA 0.011 54.113 54.000 0.171 0.000 0.897 817 D CB 2.348 43.347 40.800 0.333 0.000 1.200 817 D HN 0.392 nan 8.370 nan 0.000 0.429 818 L N 4.186 125.392 121.223 -0.028 0.000 2.594 818 L HA 0.155 4.496 4.340 0.002 0.000 0.245 818 L C -0.727 176.095 176.870 -0.080 0.000 1.460 818 L CA -0.640 54.151 54.840 -0.082 0.000 0.865 818 L CB 0.409 42.377 42.059 -0.151 0.000 1.131 818 L HN 0.157 nan 8.230 nan 0.000 0.506 819 Q N 2.803 122.591 119.800 -0.020 0.000 2.315 819 Q HA 0.206 4.547 4.340 0.002 0.000 0.289 819 Q C -0.346 175.637 176.000 -0.028 0.000 1.044 819 Q CA 0.793 56.589 55.803 -0.012 0.000 0.920 819 Q CB 0.902 29.660 28.738 0.032 0.000 1.214 819 Q HN 0.710 nan 8.270 nan 0.000 0.392 820 M N 2.785 122.368 119.600 -0.028 0.000 2.355 820 M HA 0.262 4.744 4.480 0.002 0.000 0.232 820 M C -2.636 173.670 176.300 0.011 0.000 0.988 820 M CA -1.465 53.819 55.300 -0.026 0.000 0.931 820 M CB 1.655 34.218 32.600 -0.063 0.000 2.294 820 M HN 0.318 nan 8.290 nan 0.000 0.459 821 P HA -0.046 nan 4.420 nan 0.000 0.273 821 P C -0.234 177.155 177.300 0.148 0.000 1.248 821 P CA -0.115 63.032 63.100 0.078 0.000 0.817 821 P CB 0.279 32.013 31.700 0.056 0.000 0.995 822 Y N 0.385 120.690 120.300 0.008 0.000 2.206 822 Y HA 0.014 4.565 4.550 0.002 0.000 0.292 822 Y C 0.707 176.608 175.900 0.001 0.000 1.123 822 Y CA 1.339 59.443 58.100 0.008 0.000 1.142 822 Y CB -0.457 38.011 38.460 0.015 0.000 1.006 822 Y HN 0.351 nan 8.280 nan 0.000 0.518 823 S N 0.166 115.838 115.700 -0.047 0.000 2.571 823 S HA 0.627 5.099 4.470 0.002 0.000 0.284 823 S C -1.278 173.276 174.600 -0.078 0.000 1.128 823 S CA -0.707 57.372 58.200 -0.202 0.000 0.970 823 S CB 1.770 64.750 63.200 -0.368 0.000 1.039 823 S HN 0.099 nan 8.310 nan 0.000 0.485 824 V N 2.590 122.470 119.914 -0.057 0.000 3.046 824 V HA 0.831 4.952 4.120 0.002 0.000 0.316 824 V C -1.073 175.007 176.094 -0.022 0.000 1.104 824 V CA -0.695 61.589 62.300 -0.026 0.000 1.006 824 V CB 2.182 33.998 31.823 -0.013 0.000 1.058 824 V HN 0.946 nan 8.190 nan 0.000 0.440 825 V N 4.046 123.956 119.914 -0.007 0.000 2.555 825 V HA 0.428 4.549 4.120 0.002 0.000 0.302 825 V C 0.101 176.205 176.094 0.018 0.000 1.038 825 V CA -0.977 61.322 62.300 -0.003 0.000 0.887 825 V CB 1.771 33.589 31.823 -0.009 0.000 0.991 825 V HN 0.938 nan 8.190 nan 0.000 0.434 826 K N 4.182 124.596 120.400 0.023 0.000 2.543 826 K HA -0.100 4.221 4.320 0.002 0.000 0.279 826 K C 0.551 177.169 176.600 0.031 0.000 1.001 826 K CA 0.832 57.141 56.287 0.037 0.000 1.088 826 K CB -0.067 32.452 32.500 0.031 0.000 0.863 826 K HN 0.795 nan 8.250 nan 0.000 0.488 827 N N 1.741 120.463 118.700 0.036 0.000 2.776 827 N HA -0.164 4.577 4.740 0.002 0.000 0.249 827 N C -1.347 174.183 175.510 0.032 0.000 1.111 827 N CA 1.240 54.309 53.050 0.031 0.000 0.711 827 N CB -1.193 37.310 38.487 0.026 0.000 1.065 827 N HN 0.678 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 0.346 4.698 4.350 0.002 0.000 0.268 828 E C -0.007 176.623 176.600 0.048 0.000 0.990 828 E CA -0.720 55.704 56.400 0.040 0.000 0.856 828 E CB 1.170 30.889 29.700 0.033 0.000 1.159 828 E HN -0.019 nan 8.360 nan 0.000 0.401 829 Q N 1.758 121.615 119.800 0.095 0.000 2.256 829 Q HA 0.417 4.759 4.340 0.002 0.000 0.254 829 Q C -1.205 174.918 176.000 0.206 0.000 0.916 829 Q CA -0.348 55.541 55.803 0.143 0.000 0.932 829 Q CB 1.757 30.668 28.738 0.289 0.000 1.207 829 Q HN 0.392 nan 8.270 nan 0.000 0.426 830 V N 2.503 122.496 119.914 0.131 0.000 3.048 830 V HA 0.371 4.493 4.120 0.002 0.000 0.303 830 V C -1.450 174.720 176.094 0.127 0.000 1.214 830 V CA -0.781 61.623 62.300 0.174 0.000 0.984 830 V CB 2.305 34.163 31.823 0.060 0.000 1.054 830 V HN 0.881 nan 8.190 nan 0.000 0.430 831 E N 5.485 125.811 120.200 0.209 0.000 2.044 831 E HA 0.411 4.763 4.350 0.002 0.000 0.282 831 E C -0.754 175.884 176.600 0.065 0.000 1.031 831 E CA -0.573 55.904 56.400 0.127 0.000 0.824 831 E CB 0.858 30.682 29.700 0.207 0.000 1.076 831 E HN 0.725 nan 8.360 nan 0.000 0.395 832 I N 5.035 125.616 120.570 0.019 0.000 2.379 832 I HA 0.163 4.334 4.170 0.002 0.000 0.290 832 I C 0.701 176.853 176.117 0.058 0.000 1.063 832 I CA -0.142 61.159 61.300 0.001 0.000 1.351 832 I CB 0.657 38.609 38.000 -0.080 0.000 1.410 832 I HN 0.427 nan 8.210 nan 0.000 0.505 833 R N 5.485 126.021 120.500 0.060 0.000 2.349 833 R HA 0.731 5.073 4.340 0.002 0.000 0.299 833 R C -0.709 175.625 176.300 0.057 0.000 1.027 833 R CA -0.234 55.920 56.100 0.090 0.000 0.958 833 R CB 1.237 31.587 30.300 0.084 0.000 1.047 833 R HN 0.777 nan 8.270 nan 0.000 0.468 834 A N 4.138 127.010 122.820 0.087 0.000 2.437 834 A HA 0.711 5.032 4.320 0.002 0.000 0.288 834 A C -1.387 176.230 177.584 0.056 0.000 1.201 834 A CA -0.796 51.260 52.037 0.031 0.000 0.795 834 A CB 1.383 20.344 19.000 -0.064 0.000 1.359 834 A HN 0.536 nan 8.150 nan 0.000 0.435 835 I N 0.487 121.073 120.570 0.026 0.000 2.534 835 I HA 0.366 4.537 4.170 0.002 0.000 0.288 835 I C -1.103 174.929 176.117 -0.142 0.000 1.077 835 I CA -0.431 60.831 61.300 -0.063 0.000 1.051 835 I CB 1.291 39.248 38.000 -0.073 0.000 1.234 835 I HN 0.522 nan 8.210 nan 0.000 0.425 836 L N 6.326 127.416 121.223 -0.222 0.000 2.292 836 L HA 0.379 4.720 4.340 0.002 0.000 0.284 836 L C -0.171 176.329 176.870 -0.616 0.000 1.065 836 L CA -0.035 54.610 54.840 -0.326 0.000 0.806 836 L CB 0.400 42.370 42.059 -0.150 0.000 1.175 836 L HN 0.404 nan 8.230 nan 0.000 0.431 837 H N 2.801 121.447 119.070 -0.705 0.000 2.505 837 H HA 0.287 4.844 4.556 0.002 0.000 0.338 837 H C -0.920 173.833 175.328 -0.959 0.000 1.057 837 H CA -0.678 54.791 56.048 -0.964 0.000 1.202 837 H CB 1.859 30.706 29.762 -1.524 0.000 1.466 837 H HN 0.421 nan 8.280 nan 0.000 0.499 838 N N 3.305 121.690 118.700 -0.524 0.000 2.564 838 N HA 0.040 4.782 4.740 0.002 0.000 0.248 838 N C -1.433 173.960 175.510 -0.195 0.000 0.986 838 N CA -0.374 52.518 53.050 -0.264 0.000 0.921 838 N CB 0.226 38.663 38.487 -0.084 0.000 1.136 838 N HN 0.339 nan 8.380 nan 0.000 0.509 839 Y N 3.362 123.533 120.300 -0.214 0.000 2.827 839 Y HA 0.334 4.886 4.550 0.002 0.000 0.373 839 Y C 0.186 175.975 175.900 -0.185 0.000 1.198 839 Y CA -0.670 57.332 58.100 -0.165 0.000 1.589 839 Y CB -0.404 37.980 38.460 -0.127 0.000 1.682 839 Y HN 0.248 nan 8.280 nan 0.000 0.506 840 V N -1.146 118.740 119.914 -0.047 0.000 3.329 840 V HA 0.483 4.604 4.120 0.002 0.000 0.308 840 V C 0.221 176.268 176.094 -0.079 0.000 1.375 840 V CA -0.796 61.422 62.300 -0.136 0.000 1.015 840 V CB 1.601 33.206 31.823 -0.363 0.000 1.155 840 V HN 0.104 nan 8.190 nan 0.000 0.479 841 N N -0.188 118.461 118.700 -0.086 0.000 2.830 841 N HA 0.121 4.862 4.740 0.002 0.000 0.232 841 N C 0.403 175.890 175.510 -0.038 0.000 1.062 841 N CA 0.369 53.394 53.050 -0.043 0.000 1.204 841 N CB -0.354 38.122 38.487 -0.019 0.000 1.589 841 N HN 0.863 nan 8.380 nan 0.000 0.604 842 E N 2.778 122.969 120.200 -0.014 0.000 3.437 842 E HA -0.170 4.182 4.350 0.002 0.000 0.262 842 E C -0.905 175.695 176.600 -0.000 0.000 0.837 842 E CA 0.154 56.562 56.400 0.014 0.000 0.999 842 E CB -0.784 28.957 29.700 0.067 0.000 0.798 842 E HN 0.110 nan 8.360 nan 0.000 0.535 843 D N 3.104 123.504 120.400 -0.001 0.000 2.667 843 D HA -0.001 4.641 4.640 0.002 0.000 0.226 843 D C 0.649 176.965 176.300 0.027 0.000 1.137 843 D CA 1.163 55.162 54.000 -0.001 0.000 0.855 843 D CB 0.181 40.983 40.800 0.003 0.000 1.194 843 D HN 0.487 nan 8.370 nan 0.000 0.492 844 I N -1.644 118.944 120.570 0.031 0.000 3.042 844 I HA 0.485 4.656 4.170 0.002 0.000 0.310 844 I C -1.106 175.112 176.117 0.168 0.000 1.117 844 I CA -1.332 60.022 61.300 0.089 0.000 1.003 844 I CB 1.841 39.869 38.000 0.046 0.000 1.228 844 I HN 0.061 nan 8.210 nan 0.000 0.443 845 Y N 2.858 123.207 120.300 0.082 0.000 2.341 845 Y HA 0.784 5.335 4.550 0.002 0.000 0.337 845 Y C -0.835 175.207 175.900 0.237 0.000 1.014 845 Y CA -0.656 57.537 58.100 0.155 0.000 1.111 845 Y CB 1.674 40.229 38.460 0.158 0.000 1.194 845 Y HN 0.511 nan 8.280 nan 0.000 0.462 846 V N 6.942 126.893 119.914 0.062 0.000 2.971 846 V HA 0.612 4.734 4.120 0.002 0.000 0.309 846 V C -1.575 174.448 176.094 -0.117 0.000 1.130 846 V CA -0.821 61.518 62.300 0.065 0.000 0.964 846 V CB 2.222 34.149 31.823 0.174 0.000 1.029 846 V HN 0.818 nan 8.190 nan 0.000 0.427 847 R N 3.752 124.043 120.500 -0.348 0.000 2.599 847 R HA 0.818 5.159 4.340 0.002 0.000 0.295 847 R C -2.195 173.960 176.300 -0.242 0.000 0.963 847 R CA -0.410 55.394 56.100 -0.494 0.000 0.883 847 R CB 2.116 31.738 30.300 -1.129 0.000 1.171 847 R HN 0.550 nan 8.270 nan 0.000 0.450 848 V N 4.270 124.078 119.914 -0.175 0.000 2.483 848 V HA 0.310 4.432 4.120 0.002 0.000 0.297 848 V C -0.754 175.353 176.094 0.021 0.000 1.027 848 V CA -0.735 61.549 62.300 -0.027 0.000 0.855 848 V CB 1.964 33.813 31.823 0.044 0.000 0.995 848 V HN 0.800 nan 8.190 nan 0.000 0.424 849 E N 3.732 123.982 120.200 0.083 0.000 2.191 849 E HA 0.537 4.888 4.350 0.002 0.000 0.274 849 E C -0.696 176.065 176.600 0.269 0.000 0.948 849 E CA -0.845 55.648 56.400 0.154 0.000 0.802 849 E CB 2.838 32.599 29.700 0.102 0.000 1.137 849 E HN 0.491 nan 8.360 nan 0.000 0.397 850 L N 2.540 124.008 121.223 0.409 0.000 2.468 850 L HA 0.390 4.732 4.340 0.002 0.000 0.254 850 L C -0.869 176.151 176.870 0.251 0.000 1.171 850 L CA -0.082 55.011 54.840 0.422 0.000 0.809 850 L CB 0.546 42.946 42.059 0.569 0.000 1.155 850 L HN 0.578 nan 8.230 nan 0.000 0.473 851 L N 0.601 121.939 121.223 0.192 0.000 2.421 851 L HA 0.437 4.778 4.340 0.002 0.000 0.267 851 L C -1.327 175.689 176.870 0.243 0.000 1.036 851 L CA -0.837 54.119 54.840 0.193 0.000 0.829 851 L CB 1.582 43.727 42.059 0.144 0.000 1.437 851 L HN 0.691 nan 8.230 nan 0.000 0.488 852 Y N 1.670 122.032 120.300 0.103 0.000 2.335 852 Y HA 0.432 4.983 4.550 0.002 0.000 0.338 852 Y C -0.770 175.164 175.900 0.056 0.000 0.977 852 Y CA -0.658 57.498 58.100 0.094 0.000 1.114 852 Y CB 1.111 39.616 38.460 0.076 0.000 1.182 852 Y HN 0.436 nan 8.280 nan 0.000 0.463 853 N N 7.455 125.848 118.700 -0.512 0.000 2.352 853 N HA 0.367 5.108 4.740 0.002 0.000 0.291 853 N C -2.593 172.356 175.510 -0.934 0.000 1.040 853 N CA -2.447 50.253 53.050 -0.584 0.000 0.864 853 N CB 2.679 40.895 38.487 -0.451 0.000 1.440 853 N HN 0.349 nan 8.380 nan 0.000 0.483 854 P HA -0.074 nan 4.420 nan 0.000 0.217 854 P C 0.557 177.598 177.300 -0.432 0.000 1.148 854 P CA 1.254 64.063 63.100 -0.484 0.000 0.828 854 P CB 0.200 31.793 31.700 -0.179 0.000 0.783 855 A N -2.313 120.138 122.820 -0.614 0.000 2.261 855 A HA 0.096 4.417 4.320 0.002 0.000 0.208 855 A C -0.023 177.302 177.584 -0.432 0.000 1.223 855 A CA 0.503 52.134 52.037 -0.676 0.000 0.833 855 A CB -0.906 17.343 19.000 -1.250 0.000 0.830 855 A HN 0.015 nan 8.150 nan 0.000 0.483 856 F N -1.631 118.141 119.950 -0.296 0.000 2.612 856 F HA 0.285 4.813 4.527 0.002 0.000 0.332 856 F C -0.080 175.615 175.800 -0.174 0.000 1.167 856 F CA -1.966 55.908 58.000 -0.210 0.000 0.970 856 F CB 0.565 39.443 39.000 -0.204 0.000 1.234 856 F HN -0.090 nan 8.300 nan 0.000 0.453 857 c N 4.052 122.704 118.600 0.086 0.000 2.619 857 c HA 0.562 5.134 4.570 0.002 0.000 0.389 857 c C 0.664 174.763 174.090 0.015 0.000 1.314 857 c CA 0.015 56.372 56.329 0.047 0.000 1.678 857 c CB -1.904 40.626 42.510 0.035 0.000 2.398 857 c HN 0.848 nan 8.230 nan 0.000 0.582 858 S N 3.670 119.391 115.700 0.035 0.000 2.745 858 S HA 0.733 5.204 4.470 0.002 0.000 0.306 858 S C 0.317 174.919 174.600 0.004 0.000 1.137 858 S CA -0.074 58.115 58.200 -0.019 0.000 0.900 858 S CB 1.548 64.767 63.200 0.033 0.000 1.176 858 S HN 0.931 nan 8.310 nan 0.000 0.520 859 A N 0.482 123.229 122.820 -0.120 0.000 2.265 859 A HA 0.519 4.840 4.320 0.002 0.000 0.213 859 A C 0.564 178.270 177.584 0.203 0.000 1.255 859 A CA -0.125 51.880 52.037 -0.053 0.000 0.862 859 A CB -1.076 17.619 19.000 -0.509 0.000 0.852 859 A HN 0.594 nan 8.150 nan 0.000 0.484 860 S N -0.871 114.962 115.700 0.221 0.000 2.570 860 S HA 0.692 5.164 4.470 0.002 0.000 0.286 860 S C -0.137 174.688 174.600 0.375 0.000 1.099 860 S CA -0.180 58.208 58.200 0.313 0.000 0.913 860 S CB 1.864 65.262 63.200 0.331 0.000 1.085 860 S HN 0.592 nan 8.310 nan 0.000 0.480 861 T N -1.127 113.560 114.554 0.222 0.000 2.907 861 T HA 0.479 4.830 4.350 0.002 0.000 0.292 861 T C 0.655 175.107 174.700 -0.413 0.000 1.043 861 T CA -0.905 61.206 62.100 0.017 0.000 1.003 861 T CB 1.489 70.368 68.868 0.019 0.000 1.084 861 T HN 0.493 nan 8.240 nan 0.000 0.483 862 K N 0.766 120.609 120.400 -0.929 0.000 2.374 862 K HA -0.136 4.185 4.320 0.002 0.000 0.202 862 K C 1.703 178.065 176.600 -0.397 0.000 1.044 862 K CA 1.988 57.658 56.287 -1.028 0.000 0.933 862 K CB -0.715 31.398 32.500 -0.645 0.000 0.745 862 K HN 0.800 nan 8.250 nan 0.000 0.474 863 G N -0.560 108.108 108.800 -0.221 0.000 2.808 863 G HA2 -0.085 3.876 3.960 0.002 0.000 0.210 863 G HA3 -0.085 3.876 3.960 0.002 0.000 0.210 863 G C -0.165 174.711 174.900 -0.040 0.000 1.177 863 G CA -0.249 44.797 45.100 -0.090 0.000 0.853 863 G HN 0.258 nan 8.290 nan 0.000 0.625 864 Q N 1.585 121.375 119.800 -0.016 0.000 2.349 864 Q HA 0.398 4.739 4.340 0.002 0.000 0.254 864 Q C 0.321 176.365 176.000 0.074 0.000 0.980 864 Q CA -0.301 55.521 55.803 0.031 0.000 0.924 864 Q CB 0.428 29.189 28.738 0.038 0.000 1.209 864 Q HN 0.227 nan 8.270 nan 0.000 0.445 865 R N 2.326 122.878 120.500 0.087 0.000 2.774 865 R HA 0.048 4.389 4.340 0.002 0.000 0.269 865 R C -0.602 175.804 176.300 0.176 0.000 1.068 865 R CA -0.230 55.958 56.100 0.147 0.000 1.180 865 R CB 0.447 30.822 30.300 0.126 0.000 1.077 865 R HN 0.667 nan 8.270 nan 0.000 0.513 866 Y N 2.246 122.591 120.300 0.075 0.000 2.353 866 Y HA 0.288 4.840 4.550 0.002 0.000 0.340 866 Y C -0.341 175.553 175.900 -0.010 0.000 0.972 866 Y CA -0.676 57.440 58.100 0.027 0.000 1.157 866 Y CB 0.556 39.019 38.460 0.005 0.000 1.157 866 Y HN 0.554 nan 8.280 nan 0.000 0.495 867 R N 4.597 124.905 120.500 -0.320 0.000 2.837 867 R HA 0.714 5.055 4.340 0.002 0.000 0.271 867 R C -1.773 174.273 176.300 -0.424 0.000 0.993 867 R CA -0.967 55.000 56.100 -0.221 0.000 0.931 867 R CB 2.176 32.405 30.300 -0.119 0.000 1.206 867 R HN 0.715 nan 8.270 nan 0.000 0.474 868 Q N 0.907 120.507 119.800 -0.334 0.000 2.456 868 Q HA 0.355 4.696 4.340 0.002 0.000 0.284 868 Q C -1.432 174.325 176.000 -0.405 0.000 1.061 868 Q CA -1.166 54.405 55.803 -0.387 0.000 0.799 868 Q CB 3.116 31.560 28.738 -0.490 0.000 1.445 868 Q HN 0.557 nan 8.270 nan 0.000 0.411 869 Q N 1.535 121.126 119.800 -0.349 0.000 2.356 869 Q HA 0.765 5.107 4.340 0.002 0.000 0.270 869 Q C -1.242 174.579 176.000 -0.298 0.000 1.058 869 Q CA -0.586 55.005 55.803 -0.352 0.000 0.802 869 Q CB 2.196 30.820 28.738 -0.189 0.000 1.303 869 Q HN 0.674 nan 8.270 nan 0.000 0.444 870 F N -0.970 118.653 119.950 -0.544 0.000 2.858 870 F HA 0.732 5.260 4.527 0.002 0.000 0.319 870 F C -3.095 172.513 175.800 -0.320 0.000 1.166 870 F CA -2.517 55.231 58.000 -0.420 0.000 0.899 870 F CB 1.311 40.166 39.000 -0.242 0.000 1.332 870 F HN 0.282 nan 8.300 nan 0.000 0.461 871 P HA 0.513 nan 4.420 nan 0.000 0.290 871 P C -1.212 175.895 177.300 -0.321 0.000 1.283 871 P CA -0.424 62.624 63.100 -0.086 0.000 0.869 871 P CB 2.681 34.411 31.700 0.051 0.000 1.100 872 I N -0.936 119.511 120.570 -0.205 0.000 2.686 872 I HA 0.468 4.639 4.170 0.002 0.000 0.295 872 I C 0.311 176.363 176.117 -0.108 0.000 1.114 872 I CA -1.208 59.962 61.300 -0.216 0.000 1.038 872 I CB 2.351 40.215 38.000 -0.226 0.000 1.238 872 I HN 0.071 nan 8.210 nan 0.000 0.420 873 K N 4.476 124.819 120.400 -0.095 0.000 2.028 873 K HA 0.535 4.857 4.320 0.002 0.000 0.211 873 K C 0.503 177.079 176.600 -0.040 0.000 1.034 873 K CA 0.549 56.803 56.287 -0.054 0.000 0.999 873 K CB -0.534 31.939 32.500 -0.045 0.000 1.060 873 K HN 0.857 nan 8.250 nan 0.000 0.451 874 A N -0.697 122.107 122.820 -0.026 0.000 2.594 874 A HA 0.497 4.818 4.320 0.002 0.000 0.295 874 A C -0.442 177.154 177.584 0.021 0.000 1.071 874 A CA -0.617 51.413 52.037 -0.013 0.000 0.685 874 A CB 0.898 19.888 19.000 -0.017 0.000 1.285 874 A HN 0.499 nan 8.150 nan 0.000 0.405 875 L N 0.517 121.777 121.223 0.061 0.000 3.829 875 L HA -0.223 4.118 4.340 0.002 0.000 0.440 875 L C 0.168 177.159 176.870 0.202 0.000 1.192 875 L CA 1.241 56.163 54.840 0.137 0.000 0.848 875 L CB -1.244 40.818 42.059 0.004 0.000 1.744 875 L HN 1.327 nan 8.230 nan 0.000 0.920 876 S N -2.016 113.764 115.700 0.133 0.000 2.599 876 S HA 0.896 5.367 4.470 0.002 0.000 0.294 876 S C -0.271 174.278 174.600 -0.084 0.000 1.094 876 S CA -0.294 57.925 58.200 0.031 0.000 0.931 876 S CB 2.282 65.466 63.200 -0.027 0.000 1.093 876 S HN 0.270 nan 8.310 nan 0.000 0.488 877 S N 1.112 116.747 115.700 -0.109 0.000 2.500 877 S HA 0.734 5.205 4.470 0.002 0.000 0.301 877 S C -0.909 173.560 174.600 -0.219 0.000 1.092 877 S CA -0.957 57.092 58.200 -0.252 0.000 1.030 877 S CB 1.027 64.113 63.200 -0.191 0.000 1.031 877 S HN 0.578 nan 8.310 nan 0.000 0.483 878 R N 1.419 121.759 120.500 -0.267 0.000 2.574 878 R HA 0.614 4.955 4.340 0.002 0.000 0.288 878 R C -0.821 175.432 176.300 -0.079 0.000 1.004 878 R CA -0.612 55.384 56.100 -0.173 0.000 0.895 878 R CB 1.808 31.944 30.300 -0.274 0.000 1.191 878 R HN 0.752 nan 8.270 nan 0.000 0.444 879 A N 2.545 125.363 122.820 -0.003 0.000 2.363 879 A HA 0.528 4.849 4.320 0.002 0.000 0.270 879 A C -0.199 177.468 177.584 0.138 0.000 1.121 879 A CA -0.425 51.643 52.037 0.052 0.000 0.800 879 A CB 0.677 19.710 19.000 0.055 0.000 1.052 879 A HN 0.348 nan 8.150 nan 0.000 0.493 880 V N 4.578 124.589 119.914 0.163 0.000 2.349 880 V HA 0.366 4.487 4.120 0.002 0.000 0.284 880 V C -2.445 173.795 176.094 0.242 0.000 1.014 880 V CA -1.611 60.817 62.300 0.213 0.000 0.826 880 V CB 1.135 33.163 31.823 0.342 0.000 1.009 880 V HN 0.806 nan 8.190 nan 0.000 0.431 881 P HA 0.531 nan 4.420 nan 0.000 0.276 881 P C -1.044 176.258 177.300 0.004 0.000 1.252 881 P CA -0.345 62.803 63.100 0.080 0.000 0.802 881 P CB 0.610 32.301 31.700 -0.015 0.000 1.035 882 F N -0.794 119.069 119.950 -0.145 0.000 2.630 882 F HA 0.254 4.782 4.527 0.002 0.000 0.325 882 F C -0.642 175.004 175.800 -0.258 0.000 1.184 882 F CA -0.818 57.036 58.000 -0.243 0.000 1.011 882 F CB 1.726 40.600 39.000 -0.209 0.000 1.268 882 F HN -0.097 nan 8.300 nan 0.000 0.480 883 V N 5.663 125.428 119.914 -0.248 0.000 2.427 883 V HA 0.585 4.706 4.120 0.002 0.000 0.286 883 V C -0.260 175.675 176.094 -0.264 0.000 1.034 883 V CA -0.639 61.485 62.300 -0.294 0.000 0.893 883 V CB 1.713 33.246 31.823 -0.483 0.000 0.982 883 V HN 0.647 nan 8.190 nan 0.000 0.452 884 I N 5.571 126.002 120.570 -0.231 0.000 2.841 884 I HA 0.755 4.926 4.170 0.002 0.000 0.298 884 I C -1.444 174.553 176.117 -0.200 0.000 1.304 884 I CA -0.855 60.294 61.300 -0.251 0.000 1.019 884 I CB 2.541 40.298 38.000 -0.404 0.000 1.282 884 I HN 0.461 nan 8.210 nan 0.000 0.432 885 V N 3.393 123.219 119.914 -0.147 0.000 2.483 885 V HA 0.705 4.827 4.120 0.002 0.000 0.297 885 V C -2.837 173.264 176.094 0.012 0.000 1.027 885 V CA -2.025 60.238 62.300 -0.062 0.000 0.855 885 V CB 0.992 32.802 31.823 -0.022 0.000 0.995 885 V HN 0.603 nan 8.190 nan 0.000 0.424 886 P HA 0.446 nan 4.420 nan 0.000 0.287 886 P C 0.380 177.764 177.300 0.140 0.000 1.294 886 P CA -0.264 62.980 63.100 0.238 0.000 0.776 886 P CB 1.438 33.262 31.700 0.207 0.000 0.889 887 L N 1.440 122.726 121.223 0.104 0.000 2.265 887 L HA 0.258 4.599 4.340 0.002 0.000 0.195 887 L C 1.059 177.933 176.870 0.006 0.000 1.083 887 L CA 0.441 55.297 54.840 0.026 0.000 0.798 887 L CB -0.657 41.394 42.059 -0.013 0.000 0.989 887 L HN 0.262 nan 8.230 nan 0.000 0.472 888 E N 1.167 121.333 120.200 -0.057 0.000 2.349 888 E HA 0.195 4.547 4.350 0.002 0.000 0.265 888 E C -0.696 175.998 176.600 0.158 0.000 1.064 888 E CA -0.337 56.062 56.400 -0.003 0.000 0.886 888 E CB 1.069 30.712 29.700 -0.095 0.000 1.036 888 E HN 0.227 nan 8.360 nan 0.000 0.413 889 Q N 0.618 120.527 119.800 0.181 0.000 2.293 889 Q HA 0.723 5.064 4.340 0.002 0.000 0.216 889 Q C 0.377 176.427 176.000 0.083 0.000 1.003 889 Q CA -0.330 55.566 55.803 0.154 0.000 0.995 889 Q CB 1.159 29.933 28.738 0.060 0.000 1.172 889 Q HN 0.650 nan 8.270 nan 0.000 0.518 890 G N -0.843 107.919 108.800 -0.062 0.000 2.548 890 G HA2 -0.114 3.847 3.960 0.002 0.000 0.208 890 G HA3 -0.114 3.847 3.960 0.002 0.000 0.208 890 G C -1.169 173.518 174.900 -0.356 0.000 1.308 890 G CA -0.502 44.472 45.100 -0.210 0.000 0.924 890 G HN 0.722 nan 8.290 nan 0.000 0.540 891 L N 1.161 122.128 121.223 -0.427 0.000 2.326 891 L HA 0.715 5.056 4.340 0.002 0.000 0.278 891 L C 0.223 176.731 176.870 -0.604 0.000 1.092 891 L CA -0.755 53.877 54.840 -0.346 0.000 0.810 891 L CB 1.332 43.287 42.059 -0.174 0.000 1.153 891 L HN 0.597 nan 8.230 nan 0.000 0.439 892 H N 0.984 120.056 119.070 0.003 0.000 2.894 892 H HA 0.282 4.839 4.556 0.002 0.000 0.367 892 H C -1.222 174.103 175.328 -0.004 0.000 1.144 892 H CA -0.904 55.094 56.048 -0.084 0.000 1.180 892 H CB 2.121 31.704 29.762 -0.298 0.000 1.758 892 H HN 0.574 nan 8.280 nan 0.000 0.541 893 D N 2.187 122.633 120.400 0.078 0.000 2.417 893 D HA 0.120 4.762 4.640 0.002 0.000 0.250 893 D C 0.166 176.580 176.300 0.190 0.000 1.166 893 D CA 0.108 54.162 54.000 0.089 0.000 0.881 893 D CB 1.776 42.600 40.800 0.040 0.000 1.164 893 D HN 0.030 nan 8.370 nan 0.000 0.467 894 V N 2.555 122.589 119.914 0.201 0.000 2.513 894 V HA 0.327 4.449 4.120 0.002 0.000 0.299 894 V C 0.084 176.213 176.094 0.058 0.000 1.035 894 V CA -0.522 61.888 62.300 0.183 0.000 0.889 894 V CB 2.041 33.913 31.823 0.082 0.000 0.988 894 V HN 0.495 nan 8.190 nan 0.000 0.440 895 E N 3.757 123.979 120.200 0.036 0.000 2.308 895 E HA 0.641 4.992 4.350 0.002 0.000 0.275 895 E C -1.781 174.808 176.600 -0.018 0.000 0.890 895 E CA -0.535 55.874 56.400 0.015 0.000 0.754 895 E CB 2.271 32.002 29.700 0.052 0.000 1.207 895 E HN 0.602 nan 8.360 nan 0.000 0.426 896 I N 3.003 123.546 120.570 -0.045 0.000 2.689 896 I HA 0.484 4.655 4.170 0.002 0.000 0.299 896 I C -0.641 175.491 176.117 0.024 0.000 1.059 896 I CA -0.721 60.552 61.300 -0.044 0.000 1.055 896 I CB 1.977 39.871 38.000 -0.175 0.000 1.243 896 I HN 0.386 nan 8.210 nan 0.000 0.425 897 K N 3.597 124.036 120.400 0.064 0.000 2.512 897 K HA 0.908 5.230 4.320 0.002 0.000 0.263 897 K C -1.629 175.022 176.600 0.086 0.000 0.966 897 K CA -0.845 55.486 56.287 0.074 0.000 0.851 897 K CB 2.795 35.339 32.500 0.073 0.000 1.395 897 K HN 0.635 nan 8.250 nan 0.000 0.440 898 A N 0.748 123.638 122.820 0.117 0.000 2.577 898 A HA 0.664 4.985 4.320 0.002 0.000 0.297 898 A C -1.400 176.344 177.584 0.266 0.000 1.060 898 A CA -0.607 51.524 52.037 0.157 0.000 0.697 898 A CB 1.522 20.637 19.000 0.191 0.000 1.281 898 A HN 0.692 nan 8.150 nan 0.000 0.402 899 S N 0.026 115.811 115.700 0.141 0.000 2.596 899 S HA 0.749 5.220 4.470 0.002 0.000 0.270 899 S C -1.197 173.403 174.600 -0.001 0.000 1.155 899 S CA -0.644 57.622 58.200 0.111 0.000 0.827 899 S CB 1.245 64.513 63.200 0.114 0.000 1.130 899 S HN 1.461 nan 8.310 nan 0.000 0.467 900 V N 2.805 122.696 119.914 -0.039 0.000 2.407 900 V HA 0.408 4.529 4.120 0.002 0.000 0.278 900 V C 0.627 176.885 176.094 0.274 0.000 1.037 900 V CA -0.513 61.809 62.300 0.037 0.000 0.900 900 V CB 1.076 32.857 31.823 -0.071 0.000 0.983 900 V HN 0.992 nan 8.190 nan 0.000 0.459 901 Q N 4.012 124.086 119.800 0.456 0.000 2.269 901 Q HA -0.036 4.305 4.340 0.002 0.000 0.300 901 Q C 0.329 176.368 176.000 0.066 0.000 1.070 901 Q CA 0.405 56.352 55.803 0.240 0.000 0.957 901 Q CB 0.095 28.943 28.738 0.184 0.000 1.131 901 Q HN 0.816 nan 8.270 nan 0.000 0.377 902 E N 1.475 121.656 120.200 -0.032 0.000 2.393 902 E HA -0.218 4.133 4.350 0.002 0.000 0.169 902 E C -1.957 174.591 176.600 -0.086 0.000 1.591 902 E CA 1.089 57.449 56.400 -0.066 0.000 0.661 902 E CB -1.320 28.339 29.700 -0.068 0.000 1.097 902 E HN 0.862 nan 8.360 nan 0.000 0.356 903 A N 1.356 124.089 122.820 -0.146 0.000 2.361 903 A HA 0.517 4.838 4.320 0.002 0.000 0.297 903 A C 0.128 177.469 177.584 -0.405 0.000 1.036 903 A CA -0.335 51.485 52.037 -0.362 0.000 0.589 903 A CB 0.046 18.817 19.000 -0.381 0.000 1.418 903 A HN 0.331 nan 8.150 nan 0.000 0.539 904 L N -0.329 120.439 121.223 -0.757 0.000 2.416 904 L HA 0.112 4.453 4.340 0.002 0.000 0.216 904 L C 0.309 176.978 176.870 -0.335 0.000 1.098 904 L CA 0.053 54.573 54.840 -0.534 0.000 0.840 904 L CB -0.127 41.553 42.059 -0.632 0.000 0.981 904 L HN 0.593 nan 8.230 nan 0.000 0.462 905 W N 2.504 123.773 121.300 -0.051 0.000 2.253 905 W HA 0.352 5.013 4.660 0.002 0.000 0.322 905 W C 0.529 177.007 176.519 -0.067 0.000 1.342 905 W CA -0.158 57.141 57.345 -0.076 0.000 1.218 905 W CB 0.113 29.428 29.460 -0.241 0.000 1.205 905 W HN 0.051 nan 8.180 nan 0.000 0.551 906 S N 1.553 117.484 115.700 0.385 0.000 2.580 906 S HA 0.480 4.951 4.470 0.002 0.000 0.281 906 S C -1.739 173.094 174.600 0.388 0.000 1.129 906 S CA -0.967 57.451 58.200 0.364 0.000 0.862 906 S CB 2.840 66.155 63.200 0.192 0.000 1.090 906 S HN 0.350 nan 8.310 nan 0.000 0.451 907 D N -0.868 119.732 120.400 0.333 0.000 2.663 907 D HA 0.696 5.337 4.640 0.002 0.000 0.233 907 D C -0.456 175.925 176.300 0.135 0.000 1.240 907 D CA 0.276 54.398 54.000 0.203 0.000 0.774 907 D CB 1.746 42.648 40.800 0.170 0.000 1.443 907 D HN 1.021 nan 8.370 nan 0.000 0.441 908 G N -0.135 108.721 108.800 0.093 0.000 2.690 908 G HA2 0.637 4.599 3.960 0.002 0.000 0.291 908 G HA3 0.637 4.599 3.960 0.002 0.000 0.291 908 G C -1.694 173.249 174.900 0.073 0.000 1.403 908 G CA -0.617 44.526 45.100 0.073 0.000 0.864 908 G HN 0.524 nan 8.290 nan 0.000 0.480 909 V N 0.243 120.197 119.914 0.066 0.000 2.711 909 V HA 0.574 4.695 4.120 0.002 0.000 0.304 909 V C -0.327 175.817 176.094 0.082 0.000 1.097 909 V CA -0.845 61.519 62.300 0.106 0.000 0.906 909 V CB 1.900 33.759 31.823 0.060 0.000 1.015 909 V HN 0.903 nan 8.190 nan 0.000 0.427 910 R N 3.563 124.145 120.500 0.138 0.000 2.393 910 R HA 0.740 5.081 4.340 0.002 0.000 0.310 910 R C -0.909 175.477 176.300 0.142 0.000 0.968 910 R CA -0.616 55.549 56.100 0.109 0.000 0.867 910 R CB 1.398 31.756 30.300 0.097 0.000 1.124 910 R HN 0.726 nan 8.270 nan 0.000 0.450 911 K N 2.894 123.323 120.400 0.048 0.000 2.468 911 K HA 0.292 4.613 4.320 0.002 0.000 0.252 911 K C -1.049 175.571 176.600 0.033 0.000 0.932 911 K CA -0.872 55.416 56.287 0.002 0.000 0.794 911 K CB 2.382 34.796 32.500 -0.143 0.000 1.241 911 K HN 0.379 nan 8.250 nan 0.000 0.428 912 K N 2.224 122.650 120.400 0.043 0.000 2.237 912 K HA 0.321 4.643 4.320 0.002 0.000 0.270 912 K C -0.672 175.962 176.600 0.058 0.000 1.015 912 K CA -0.352 55.969 56.287 0.056 0.000 0.949 912 K CB 0.808 33.329 32.500 0.036 0.000 0.976 912 K HN 0.439 nan 8.250 nan 0.000 0.472 913 L N 2.269 123.553 121.223 0.103 0.000 2.342 913 L HA 0.406 4.747 4.340 0.002 0.000 0.271 913 L C -0.897 176.020 176.870 0.078 0.000 1.008 913 L CA -0.756 54.145 54.840 0.103 0.000 0.818 913 L CB 1.436 43.596 42.059 0.167 0.000 1.296 913 L HN 0.435 nan 8.230 nan 0.000 0.427 914 K N 3.217 123.643 120.400 0.043 0.000 2.253 914 K HA 0.511 4.833 4.320 0.002 0.000 0.277 914 K C -1.604 174.980 176.600 -0.026 0.000 1.053 914 K CA -0.438 55.840 56.287 -0.015 0.000 0.892 914 K CB 1.265 33.733 32.500 -0.054 0.000 1.102 914 K HN 0.421 nan 8.250 nan 0.000 0.469 915 V N 5.692 125.598 119.914 -0.013 0.000 2.350 915 V HA 0.402 4.523 4.120 0.002 0.000 0.285 915 V C -0.736 175.345 176.094 -0.022 0.000 1.014 915 V CA -0.853 61.459 62.300 0.021 0.000 0.831 915 V CB 1.237 33.140 31.823 0.133 0.000 1.000 915 V HN 0.600 nan 8.190 nan 0.000 0.433 916 V N 7.347 127.235 119.914 -0.044 0.000 2.960 916 V HA 0.757 4.879 4.120 0.002 0.000 0.315 916 V C -2.540 173.535 176.094 -0.031 0.000 1.087 916 V CA -2.547 59.720 62.300 -0.056 0.000 0.982 916 V CB 3.272 35.032 31.823 -0.105 0.000 1.039 916 V HN 0.720 nan 8.190 nan 0.000 0.437 917 P HA 0.234 nan 4.420 nan 0.000 0.279 917 P C -0.865 176.424 177.300 -0.018 0.000 1.239 917 P CA -0.085 63.008 63.100 -0.011 0.000 0.789 917 P CB 0.437 32.135 31.700 -0.004 0.000 0.933 918 E N 2.239 122.433 120.200 -0.011 0.000 2.416 918 E HA 0.384 4.735 4.350 0.002 0.000 0.254 918 E C 0.300 176.890 176.600 -0.017 0.000 1.241 918 E CA -0.198 56.193 56.400 -0.015 0.000 0.969 918 E CB -0.316 29.379 29.700 -0.007 0.000 0.999 918 E HN 0.682 nan 8.360 nan 0.000 0.481 919 G N -1.238 107.550 108.800 -0.021 0.000 2.587 919 G HA2 0.007 3.968 3.960 0.002 0.000 0.686 919 G HA3 0.007 3.968 3.960 0.002 0.000 0.686 919 G C -1.179 173.697 174.900 -0.039 0.000 1.236 919 G CA -0.326 44.756 45.100 -0.029 0.000 0.820 919 G HN 0.651 nan 8.290 nan 0.000 0.645 920 V N 1.192 121.075 119.914 -0.052 0.000 2.850 920 V HA 0.770 4.892 4.120 0.002 0.000 0.315 920 V C 0.767 176.820 176.094 -0.067 0.000 1.064 920 V CA -0.172 62.099 62.300 -0.049 0.000 0.979 920 V CB 1.754 33.552 31.823 -0.041 0.000 1.039 920 V HN 1.128 nan 8.190 nan 0.000 0.452 921 Q N 4.519 124.302 119.800 -0.029 0.000 2.295 921 Q HA 0.375 4.716 4.340 0.002 0.000 0.259 921 Q C -0.660 175.349 176.000 0.016 0.000 0.976 921 Q CA -0.049 55.758 55.803 0.008 0.000 0.923 921 Q CB 0.695 29.465 28.738 0.054 0.000 1.185 921 Q HN 0.664 nan 8.270 nan 0.000 0.410 922 K N 2.255 122.629 120.400 -0.043 0.000 2.375 922 K HA 0.462 4.783 4.320 0.002 0.000 0.249 922 K C -1.567 175.049 176.600 0.027 0.000 0.942 922 K CA -0.736 55.503 56.287 -0.080 0.000 0.806 922 K CB 1.758 34.074 32.500 -0.307 0.000 1.227 922 K HN 0.711 nan 8.250 nan 0.000 0.430 923 S N 3.381 119.071 115.700 -0.016 0.000 2.498 923 S HA 0.571 5.042 4.470 0.002 0.000 0.317 923 S C -0.717 173.804 174.600 -0.131 0.000 1.090 923 S CA -0.830 57.230 58.200 -0.234 0.000 1.089 923 S CB 0.762 63.797 63.200 -0.275 0.000 0.997 923 S HN 0.447 nan 8.310 nan 0.000 0.470 924 I N 3.541 124.029 120.570 -0.137 0.000 2.411 924 I HA 0.374 4.545 4.170 0.002 0.000 0.284 924 I C -0.776 175.269 176.117 -0.120 0.000 1.012 924 I CA -0.493 60.765 61.300 -0.069 0.000 1.119 924 I CB 1.874 39.880 38.000 0.009 0.000 1.261 924 I HN 0.658 nan 8.210 nan 0.000 0.448 925 V N 4.561 124.413 119.914 -0.103 0.000 2.435 925 V HA 0.794 4.915 4.120 0.002 0.000 0.290 925 V C 0.110 176.168 176.094 -0.059 0.000 1.030 925 V CA -0.563 61.682 62.300 -0.091 0.000 0.881 925 V CB 1.389 33.158 31.823 -0.090 0.000 0.983 925 V HN 0.761 nan 8.190 nan 0.000 0.445 926 T N 2.628 117.151 114.554 -0.050 0.000 2.907 926 T HA 0.843 5.194 4.350 0.002 0.000 0.292 926 T C -0.653 174.029 174.700 -0.031 0.000 1.043 926 T CA -0.639 61.439 62.100 -0.038 0.000 1.003 926 T CB 2.132 70.979 68.868 -0.036 0.000 1.084 926 T HN 0.471 nan 8.240 nan 0.000 0.483 927 I N 1.461 122.015 120.570 -0.026 0.000 2.545 927 I HA 0.711 4.882 4.170 0.002 0.000 0.292 927 I C -0.634 175.472 176.117 -0.018 0.000 1.040 927 I CA -1.550 59.737 61.300 -0.021 0.000 1.068 927 I CB 2.203 40.190 38.000 -0.022 0.000 1.251 927 I HN 0.649 nan 8.210 nan 0.000 0.424 928 V N 1.600 121.505 119.914 -0.015 0.000 2.841 928 V HA 0.612 4.733 4.120 0.002 0.000 0.310 928 V C -0.749 175.339 176.094 -0.010 0.000 1.090 928 V CA -0.877 61.415 62.300 -0.013 0.000 0.930 928 V CB 1.944 33.759 31.823 -0.014 0.000 1.014 928 V HN 0.564 nan 8.190 nan 0.000 0.425 929 K N 3.888 124.282 120.400 -0.009 0.000 2.143 929 K HA 0.619 4.941 4.320 0.002 0.000 0.272 929 K C -0.794 175.802 176.600 -0.005 0.000 1.001 929 K CA -0.392 55.891 56.287 -0.007 0.000 0.915 929 K CB 2.058 34.553 32.500 -0.008 0.000 1.047 929 K HN 0.775 nan 8.250 nan 0.000 0.458 930 L N 2.893 124.115 121.223 -0.002 0.000 2.371 930 L HA 0.211 4.552 4.340 0.002 0.000 0.262 930 L C -0.307 176.564 176.870 0.001 0.000 1.054 930 L CA -0.504 54.336 54.840 -0.000 0.000 0.924 930 L CB 0.672 42.734 42.059 0.004 0.000 1.295 930 L HN 0.440 nan 8.230 nan 0.000 0.441 931 D N 3.899 124.299 120.400 -0.000 0.000 2.438 931 D HA 0.291 4.932 4.640 0.002 0.000 0.257 931 D C -1.840 174.461 176.300 0.002 0.000 1.148 931 D CA -1.843 52.157 54.000 0.001 0.000 0.902 931 D CB 2.014 42.813 40.800 -0.002 0.000 1.062 931 D HN 0.087 nan 8.370 nan 0.000 0.518 932 P HA -0.098 nan 4.420 nan 0.000 0.217 932 P C 1.389 178.692 177.300 0.005 0.000 1.150 932 P CA 0.702 63.805 63.100 0.005 0.000 0.832 932 P CB 0.306 32.011 31.700 0.008 0.000 0.787 933 R N 0.117 120.620 120.500 0.006 0.000 2.105 933 R HA -0.124 4.217 4.340 0.002 0.000 0.239 933 R C 1.903 178.205 176.300 0.003 0.000 1.135 933 R CA 1.890 57.993 56.100 0.005 0.000 0.967 933 R CB -0.752 29.552 30.300 0.006 0.000 0.861 933 R HN 0.105 nan 8.270 nan 0.000 0.442 934 A N 0.359 123.179 122.820 0.001 0.000 1.887 934 A HA 0.029 4.350 4.320 0.002 0.000 0.212 934 A C 1.744 179.327 177.584 -0.001 0.000 1.198 934 A CA 1.046 53.083 52.037 -0.000 0.000 0.628 934 A CB 0.057 19.056 19.000 -0.002 0.000 0.847 934 A HN 0.333 nan 8.150 nan 0.000 0.449 935 K N -0.682 119.717 120.400 -0.001 0.000 2.262 935 K HA 0.196 4.517 4.320 0.002 0.000 0.200 935 K C 1.173 177.771 176.600 -0.002 0.000 1.058 935 K CA 0.347 56.633 56.287 -0.002 0.000 0.974 935 K CB -0.084 32.414 32.500 -0.004 0.000 0.910 935 K HN 0.363 nan 8.250 nan 0.000 0.484 936 G N 1.389 110.189 108.800 -0.001 0.000 2.554 936 G HA2 0.159 4.120 3.960 0.002 0.000 0.238 936 G HA3 0.159 4.120 3.960 0.002 0.000 0.238 936 G C 1.022 175.922 174.900 0.000 0.000 1.259 936 G CA -0.540 44.559 45.100 -0.000 0.000 0.843 936 G HN -0.090 nan 8.290 nan 0.000 0.582 937 V N 2.831 122.745 119.914 -0.000 0.000 2.270 937 V HA 0.003 4.124 4.120 0.002 0.000 0.218 937 V C 2.659 178.754 176.094 0.002 0.000 0.997 937 V CA 1.833 64.133 62.300 0.000 0.000 1.019 937 V CB -1.209 30.614 31.823 -0.001 0.000 0.657 937 V HN 0.802 nan 8.190 nan 0.000 0.470 938 G N -0.628 108.173 108.800 0.002 0.000 3.340 938 G HA2 0.387 4.348 3.960 0.002 0.000 0.240 938 G HA3 0.387 4.348 3.960 0.002 0.000 0.240 938 G C 1.020 175.923 174.900 0.005 0.000 1.327 938 G CA 0.648 45.750 45.100 0.004 0.000 1.170 938 G HN 1.495 nan 8.290 nan 0.000 0.520 939 G N -1.070 107.733 108.800 0.005 0.000 2.157 939 G HA2 -0.231 3.730 3.960 0.002 0.000 0.239 939 G HA3 -0.231 3.730 3.960 0.002 0.000 0.239 939 G C 0.236 175.140 174.900 0.007 0.000 0.982 939 G CA 0.270 45.374 45.100 0.007 0.000 0.650 939 G HN 0.675 nan 8.290 nan 0.000 0.527 940 T N 0.662 115.219 114.554 0.004 0.000 2.833 940 T HA 0.538 4.889 4.350 0.002 0.000 0.297 940 T C -0.238 174.462 174.700 -0.001 0.000 1.015 940 T CA -0.274 61.828 62.100 0.002 0.000 0.963 940 T CB 1.738 70.607 68.868 0.001 0.000 0.955 940 T HN 0.375 nan 8.240 nan 0.000 0.449 941 Q N 4.206 124.005 119.800 -0.002 0.000 2.368 941 Q HA 0.342 4.683 4.340 0.002 0.000 0.256 941 Q C -0.841 175.154 176.000 -0.008 0.000 0.980 941 Q CA -0.814 54.986 55.803 -0.004 0.000 0.887 941 Q CB 0.441 29.177 28.738 -0.004 0.000 1.221 941 Q HN 0.418 nan 8.270 nan 0.000 0.458 942 L N 4.617 125.835 121.223 -0.009 0.000 2.334 942 L HA 0.338 4.680 4.340 0.002 0.000 0.286 942 L C -0.110 176.752 176.870 -0.014 0.000 1.108 942 L CA 0.258 55.091 54.840 -0.012 0.000 0.875 942 L CB 0.376 42.429 42.059 -0.010 0.000 1.246 942 L HN 0.657 nan 8.230 nan 0.000 0.439 943 E N 2.437 122.627 120.200 -0.017 0.000 2.202 943 E HA 0.612 4.963 4.350 0.002 0.000 0.272 943 E C -0.843 175.745 176.600 -0.021 0.000 0.951 943 E CA -0.592 55.797 56.400 -0.018 0.000 0.813 943 E CB 3.318 33.007 29.700 -0.018 0.000 1.151 943 E HN 0.121 nan 8.360 nan 0.000 0.398 944 V N 3.451 123.352 119.914 -0.020 0.000 2.733 944 V HA 0.345 4.466 4.120 0.002 0.000 0.306 944 V C -0.993 175.087 176.094 -0.023 0.000 1.084 944 V CA -0.717 61.570 62.300 -0.022 0.000 0.905 944 V CB 1.855 33.666 31.823 -0.020 0.000 1.010 944 V HN 0.448 nan 8.190 nan 0.000 0.424 945 I N 6.125 126.680 120.570 -0.025 0.000 2.354 945 I HA 0.439 4.610 4.170 0.002 0.000 0.286 945 I C 0.279 176.379 176.117 -0.029 0.000 1.007 945 I CA -0.711 60.573 61.300 -0.027 0.000 1.167 945 I CB 1.413 39.395 38.000 -0.029 0.000 1.320 945 I HN 0.403 nan 8.210 nan 0.000 0.458 946 K N 4.402 124.785 120.400 -0.029 0.000 2.380 946 K HA 0.418 4.739 4.320 0.002 0.000 0.267 946 K C 0.196 176.773 176.600 -0.038 0.000 0.990 946 K CA -0.349 55.920 56.287 -0.030 0.000 0.946 946 K CB 0.206 32.689 32.500 -0.027 0.000 0.937 946 K HN 0.623 nan 8.250 nan 0.000 0.491 947 A N 3.661 126.458 122.820 -0.039 0.000 2.526 947 A HA 0.013 4.334 4.320 0.002 0.000 0.267 947 A C 0.134 177.680 177.584 -0.063 0.000 1.095 947 A CA -0.043 51.964 52.037 -0.051 0.000 0.775 947 A CB -0.462 18.511 19.000 -0.046 0.000 1.036 947 A HN 0.569 nan 8.150 nan 0.000 0.510 948 R N 2.086 122.537 120.500 -0.080 0.000 2.537 948 R HA 0.049 4.390 4.340 0.002 0.000 0.281 948 R C 0.360 176.596 176.300 -0.106 0.000 0.988 948 R CA 0.550 56.594 56.100 -0.093 0.000 1.077 948 R CB 0.329 30.558 30.300 -0.117 0.000 0.932 948 R HN 0.770 nan 8.270 nan 0.000 0.409 949 K N 2.797 123.151 120.400 -0.077 0.000 2.494 949 K HA 0.041 4.363 4.320 0.002 0.000 0.273 949 K C 0.111 176.654 176.600 -0.095 0.000 0.970 949 K CA 0.230 56.479 56.287 -0.064 0.000 0.963 949 K CB 0.408 32.887 32.500 -0.035 0.000 0.913 949 K HN 0.358 nan 8.250 nan 0.000 0.502 950 L N -0.461 120.720 121.223 -0.069 0.000 3.360 950 L HA 0.169 4.510 4.340 0.002 0.000 0.224 950 L C -0.656 176.240 176.870 0.043 0.000 1.813 950 L CA -0.880 53.922 54.840 -0.063 0.000 1.790 950 L CB 0.759 42.696 42.059 -0.203 0.000 1.808 950 L HN 0.730 nan 8.230 nan 0.000 0.542 951 D N -0.505 119.948 120.400 0.087 0.000 2.839 951 D HA -0.143 4.499 4.640 0.002 0.000 0.194 951 D C 0.157 176.516 176.300 0.097 0.000 0.988 951 D CA 1.091 55.141 54.000 0.082 0.000 1.009 951 D CB -1.131 39.693 40.800 0.040 0.000 1.067 951 D HN 0.548 nan 8.370 nan 0.000 0.444 952 D N 0.363 120.849 120.400 0.144 0.000 2.349 952 D HA 0.009 4.650 4.640 0.002 0.000 0.224 952 D C 1.293 177.649 176.300 0.094 0.000 1.029 952 D CA 0.114 54.173 54.000 0.097 0.000 0.879 952 D CB 0.267 41.117 40.800 0.083 0.000 0.906 952 D HN 0.409 nan 8.370 nan 0.000 0.528 953 R N 0.270 120.872 120.500 0.170 0.000 2.828 953 R HA 0.330 4.671 4.340 0.002 0.000 0.270 953 R C -0.581 175.775 176.300 0.093 0.000 1.244 953 R CA -0.254 55.957 56.100 0.185 0.000 1.143 953 R CB 0.535 30.994 30.300 0.266 0.000 1.128 953 R HN -0.179 nan 8.270 nan 0.000 0.587 954 V N 2.009 121.976 119.914 0.088 0.000 2.709 954 V HA 0.379 4.500 4.120 0.002 0.000 0.308 954 V C -2.273 173.853 176.094 0.055 0.000 1.062 954 V CA -2.043 60.289 62.300 0.053 0.000 0.901 954 V CB 1.578 33.422 31.823 0.035 0.000 1.003 954 V HN 0.863 nan 8.190 nan 0.000 0.425 955 P HA 0.061 nan 4.420 nan 0.000 0.266 955 P C -0.274 177.045 177.300 0.031 0.000 1.193 955 P CA 0.380 63.500 63.100 0.033 0.000 0.770 955 P CB 0.306 32.020 31.700 0.023 0.000 0.836 956 D N -1.084 119.333 120.400 0.028 0.000 2.702 956 D HA -0.149 4.493 4.640 0.002 0.000 0.233 956 D C 0.558 176.874 176.300 0.027 0.000 1.164 956 D CA 1.469 55.483 54.000 0.024 0.000 0.638 956 D CB -1.595 39.214 40.800 0.016 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 0.553 4.905 4.350 0.002 0.000 0.285 957 T C 0.394 175.127 174.700 0.055 0.000 1.028 957 T CA -0.995 61.131 62.100 0.043 0.000 1.005 957 T CB 2.493 71.394 68.868 0.055 0.000 1.157 957 T HN -0.092 nan 8.240 nan 0.000 0.550 958 E N -0.295 119.937 120.200 0.052 0.000 2.458 958 E HA 0.347 4.699 4.350 0.002 0.000 0.264 958 E C -0.831 175.833 176.600 0.107 0.000 1.097 958 E CA 0.168 56.604 56.400 0.061 0.000 0.973 958 E CB 0.050 29.777 29.700 0.045 0.000 0.963 958 E HN 0.602 nan 8.360 nan 0.000 0.451 959 I N 2.605 123.239 120.570 0.106 0.000 2.630 959 I HA 0.087 4.259 4.170 0.002 0.000 0.279 959 I C -1.320 174.873 176.117 0.126 0.000 1.235 959 I CA -0.377 61.004 61.300 0.136 0.000 1.096 959 I CB 1.493 39.543 38.000 0.083 0.000 1.318 959 I HN 0.441 nan 8.210 nan 0.000 0.457 960 E N 5.266 125.581 120.200 0.193 0.000 2.155 960 E HA 0.587 4.938 4.350 0.002 0.000 0.264 960 E C -0.880 175.861 176.600 0.235 0.000 0.886 960 E CA -0.352 56.159 56.400 0.184 0.000 0.752 960 E CB 1.471 31.269 29.700 0.162 0.000 1.133 960 E HN 0.455 nan 8.360 nan 0.000 0.414 961 T N 2.002 116.646 114.554 0.150 0.000 2.841 961 T HA 0.502 4.853 4.350 0.002 0.000 0.285 961 T C -0.333 174.438 174.700 0.118 0.000 0.991 961 T CA -1.087 61.091 62.100 0.130 0.000 0.966 961 T CB 1.072 69.977 68.868 0.061 0.000 0.962 961 T HN 0.319 nan 8.240 nan 0.000 0.438 962 K N 3.234 123.720 120.400 0.143 0.000 2.211 962 K HA 0.480 4.801 4.320 0.002 0.000 0.275 962 K C -0.699 175.951 176.600 0.084 0.000 1.024 962 K CA -0.691 55.670 56.287 0.123 0.000 0.887 962 K CB 1.745 34.346 32.500 0.168 0.000 1.084 962 K HN 0.638 nan 8.250 nan 0.000 0.463 963 I N 4.795 125.406 120.570 0.068 0.000 2.321 963 I HA 0.289 4.461 4.170 0.002 0.000 0.291 963 I C -0.591 175.565 176.117 0.066 0.000 0.998 963 I CA -0.598 60.730 61.300 0.047 0.000 1.227 963 I CB 0.798 38.811 38.000 0.021 0.000 1.368 963 I HN 0.460 nan 8.210 nan 0.000 0.466 964 I N 8.194 128.800 120.570 0.060 0.000 2.465 964 I HA 0.467 4.639 4.170 0.002 0.000 0.291 964 I C -0.634 175.521 176.117 0.064 0.000 1.014 964 I CA -0.558 60.787 61.300 0.074 0.000 1.093 964 I CB 1.571 39.612 38.000 0.069 0.000 1.267 964 I HN 0.398 nan 8.210 nan 0.000 0.431 965 I N 4.174 124.797 120.570 0.089 0.000 2.730 965 I HA 0.699 4.871 4.170 0.002 0.000 0.298 965 I C -1.473 174.688 176.117 0.073 0.000 1.089 965 I CA -0.638 60.708 61.300 0.076 0.000 1.041 965 I CB 2.148 40.200 38.000 0.087 0.000 1.235 965 I HN 0.626 nan 8.210 nan 0.000 0.423 966 Q N 3.514 123.341 119.800 0.046 0.000 2.281 966 Q HA 0.594 4.935 4.340 0.002 0.000 0.263 966 Q C -0.828 175.180 176.000 0.014 0.000 0.989 966 Q CA -0.842 54.980 55.803 0.031 0.000 0.852 966 Q CB 1.634 30.384 28.738 0.020 0.000 1.337 966 Q HN 0.963 nan 8.270 nan 0.000 0.418 967 G N 1.672 110.478 108.800 0.010 0.000 2.594 967 G HA2 0.242 4.203 3.960 0.002 0.000 0.243 967 G HA3 0.242 4.203 3.960 0.002 0.000 0.243 967 G C -0.728 174.155 174.900 -0.028 0.000 1.229 967 G CA -0.210 44.887 45.100 -0.004 0.000 0.843 967 G HN 0.643 nan 8.290 nan 0.000 0.578 968 D N 1.335 121.717 120.400 -0.031 0.000 2.249 968 D HA 0.383 5.024 4.640 0.002 0.000 0.246 968 D C -1.527 174.731 176.300 -0.069 0.000 1.114 968 D CA -0.831 53.142 54.000 -0.045 0.000 0.854 968 D CB 1.473 42.253 40.800 -0.033 0.000 1.132 968 D HN 0.064 nan 8.370 nan 0.000 0.461 1271 K N 1.880 122.357 120.400 0.128 0.000 2.355 1271 K HA 0.193 4.514 4.320 0.002 0.000 0.270 1271 K C -0.551 176.142 176.600 0.157 0.000 1.003 1271 K CA 0.277 56.585 56.287 0.034 0.000 0.957 1271 K CB 0.472 32.974 32.500 0.004 0.000 0.939 1271 K HN 0.701 nan 8.250 nan 0.000 0.482 1272 D N 2.627 123.085 120.400 0.096 0.000 2.440 1272 D HA 0.323 4.965 4.640 0.002 0.000 0.252 1272 D C -1.666 174.698 176.300 0.107 0.000 1.180 1272 D CA -0.685 53.424 54.000 0.182 0.000 0.894 1272 D CB 0.321 41.233 40.800 0.187 0.000 1.111 1272 D HN 0.259 nan 8.370 nan 0.000 0.544 1273 L N 1.806 123.094 121.223 0.107 0.000 2.365 1273 L HA 0.689 5.030 4.340 0.002 0.000 0.273 1273 L C -1.343 175.574 176.870 0.078 0.000 1.000 1273 L CA -0.486 54.393 54.840 0.066 0.000 0.819 1273 L CB 2.008 44.084 42.059 0.028 0.000 1.284 1273 L HN 0.249 nan 8.230 nan 0.000 0.418 1274 N N 4.238 122.976 118.700 0.063 0.000 2.609 1274 N HA 0.479 5.220 4.740 0.002 0.000 0.268 1274 N C -1.772 173.767 175.510 0.048 0.000 1.106 1274 N CA -0.291 52.795 53.050 0.061 0.000 0.823 1274 N CB 1.361 39.886 38.487 0.064 0.000 1.263 1274 N HN 0.699 nan 8.380 nan 0.000 0.533 1275 L N 1.443 122.695 121.223 0.048 0.000 2.317 1275 L HA 0.463 4.804 4.340 0.002 0.000 0.281 1275 L C -0.104 176.796 176.870 0.051 0.000 1.024 1275 L CA -0.798 54.068 54.840 0.043 0.000 0.810 1275 L CB 1.611 43.694 42.059 0.040 0.000 1.240 1275 L HN 0.293 nan 8.230 nan 0.000 0.427 1276 D N 2.756 123.182 120.400 0.043 0.000 2.192 1276 D HA 0.649 5.290 4.640 0.002 0.000 0.246 1276 D C -1.130 175.194 176.300 0.039 0.000 1.042 1276 D CA -0.142 53.886 54.000 0.047 0.000 0.847 1276 D CB 1.884 42.705 40.800 0.035 0.000 1.186 1276 D HN 0.366 nan 8.370 nan 0.000 0.461 1277 I N 1.408 122.006 120.570 0.047 0.000 2.802 1277 I HA 0.397 4.568 4.170 0.002 0.000 0.298 1277 I C -1.176 174.919 176.117 -0.037 0.000 1.176 1277 I CA -0.323 60.983 61.300 0.011 0.000 1.025 1277 I CB 2.330 40.342 38.000 0.021 0.000 1.243 1277 I HN 0.218 nan 8.210 nan 0.000 0.424 1278 T N 6.781 121.292 114.554 -0.072 0.000 2.893 1278 T HA 0.589 4.941 4.350 0.002 0.000 0.293 1278 T C -1.298 173.326 174.700 -0.127 0.000 1.027 1278 T CA -0.385 61.659 62.100 -0.093 0.000 0.988 1278 T CB 1.681 70.520 68.868 -0.049 0.000 1.043 1278 T HN 0.254 nan 8.240 nan 0.000 0.461 1279 I N 3.096 123.576 120.570 -0.150 0.000 2.512 1279 I HA 0.429 4.600 4.170 0.002 0.000 0.287 1279 I C -0.673 175.387 176.117 -0.096 0.000 1.069 1279 I CA -0.725 60.489 61.300 -0.145 0.000 1.056 1279 I CB 1.851 39.713 38.000 -0.230 0.000 1.229 1279 I HN 0.738 nan 8.210 nan 0.000 0.429 1280 E N 7.367 127.526 120.200 -0.068 0.000 2.266 1280 E HA 0.762 5.113 4.350 0.002 0.000 0.268 1280 E C -1.364 175.213 176.600 -0.039 0.000 0.879 1280 E CA -0.781 55.591 56.400 -0.047 0.000 0.762 1280 E CB 3.211 32.889 29.700 -0.037 0.000 1.199 1280 E HN 0.379 nan 8.360 nan 0.000 0.422 1281 L N 0.782 121.987 121.223 -0.031 0.000 2.415 1281 L HA 0.432 4.773 4.340 0.002 0.000 0.256 1281 L C -2.240 174.618 176.870 -0.019 0.000 1.010 1281 L CA -2.226 52.599 54.840 -0.024 0.000 0.826 1281 L CB 1.649 43.695 42.059 -0.022 0.000 1.405 1281 L HN 0.259 nan 8.230 nan 0.000 0.410 1282 P HA -0.076 nan 4.420 nan 0.000 0.228 1282 P C 0.421 177.715 177.300 -0.011 0.000 1.151 1282 P CA 0.747 63.839 63.100 -0.013 0.000 0.770 1282 P CB 0.198 31.890 31.700 -0.013 0.000 0.786 1283 D N -0.682 119.711 120.400 -0.011 0.000 2.103 1283 D HA -0.141 4.500 4.640 0.002 0.000 0.190 1283 D C 1.354 177.650 176.300 -0.007 0.000 0.997 1283 D CA 1.587 55.582 54.000 -0.008 0.000 0.833 1283 D CB 0.002 40.798 40.800 -0.008 0.000 0.961 1283 D HN 0.095 nan 8.370 nan 0.000 0.447 1284 R N -0.707 119.788 120.500 -0.009 0.000 3.076 1284 R HA 0.322 4.663 4.340 0.002 0.000 0.239 1284 R C 0.378 176.672 176.300 -0.009 0.000 1.392 1284 R CA -0.421 55.674 56.100 -0.008 0.000 1.044 1284 R CB 0.650 30.946 30.300 -0.006 0.000 1.389 1284 R HN -0.154 nan 8.270 nan 0.000 0.498 1285 E N -0.779 119.416 120.200 -0.008 0.000 2.399 1285 E HA 0.221 4.572 4.350 0.002 0.000 0.205 1285 E C -0.535 176.060 176.600 -0.008 0.000 0.906 1285 E CA 0.123 56.518 56.400 -0.008 0.000 0.998 1285 E CB 0.813 30.509 29.700 -0.006 0.000 1.002 1285 E HN 0.191 nan 8.360 nan 0.000 0.501 1286 V N 5.780 125.690 119.914 -0.006 0.000 2.222 1286 V HA 0.183 4.304 4.120 0.002 0.000 0.253 1286 V C -1.916 174.173 176.094 -0.009 0.000 1.210 1286 V CA -1.110 61.187 62.300 -0.005 0.000 1.079 1286 V CB -0.051 31.772 31.823 0.000 0.000 1.265 1286 V HN 0.247 nan 8.190 nan 0.000 0.494 1287 P HA 0.185 nan 4.420 nan 0.000 0.272 1287 P C -0.121 177.159 177.300 -0.033 0.000 1.248 1287 P CA -0.108 62.973 63.100 -0.032 0.000 0.799 1287 P CB 1.275 32.952 31.700 -0.039 0.000 0.997 1288 I N -0.134 120.396 120.570 -0.067 0.000 2.577 1288 I HA 0.430 4.601 4.170 0.002 0.000 0.300 1288 I C 1.010 177.054 176.117 -0.121 0.000 0.990 1288 I CA -0.754 60.503 61.300 -0.071 0.000 1.283 1288 I CB 0.925 38.858 38.000 -0.112 0.000 1.411 1288 I HN 0.278 nan 8.210 nan 0.000 0.515 1289 R N 3.186 123.677 120.500 -0.015 0.000 2.628 1289 R HA 0.519 4.860 4.340 0.002 0.000 0.288 1289 R C -1.894 174.607 176.300 0.335 0.000 0.980 1289 R CA -0.610 55.508 56.100 0.029 0.000 0.891 1289 R CB 1.848 32.179 30.300 0.051 0.000 1.188 1289 R HN 0.398 nan 8.270 nan 0.000 0.450 1290 Y N 1.429 121.733 120.300 0.008 0.000 2.499 1290 Y HA 0.492 5.044 4.550 0.002 0.000 0.347 1290 Y C -0.209 175.699 175.900 0.013 0.000 0.987 1290 Y CA -1.363 56.743 58.100 0.010 0.000 1.044 1290 Y CB 1.926 40.392 38.460 0.011 0.000 1.245 1290 Y HN 0.449 nan 8.280 nan 0.000 0.461 1291 R N 1.932 122.531 120.500 0.165 0.000 2.494 1291 R HA 0.742 5.083 4.340 0.002 0.000 0.305 1291 R C -1.893 174.451 176.300 0.074 0.000 0.959 1291 R CA -0.578 55.581 56.100 0.098 0.000 0.864 1291 R CB 0.963 31.303 30.300 0.066 0.000 1.159 1291 R HN 0.585 nan 8.270 nan 0.000 0.446 1292 I N 4.236 124.849 120.570 0.072 0.000 2.499 1292 I HA 0.405 4.576 4.170 0.002 0.000 0.288 1292 I C -1.258 174.895 176.117 0.060 0.000 1.048 1292 I CA -0.407 60.928 61.300 0.059 0.000 1.062 1292 I CB 1.760 39.798 38.000 0.063 0.000 1.238 1292 I HN 0.889 nan 8.210 nan 0.000 0.426 1293 N N 3.860 122.601 118.700 0.067 0.000 3.316 1293 N HA 0.227 4.969 4.740 0.002 0.000 0.300 1293 N C 0.369 175.958 175.510 0.133 0.000 1.567 1293 N CA -0.746 52.363 53.050 0.098 0.000 0.821 1293 N CB 0.247 38.798 38.487 0.107 0.000 1.748 1293 N HN 0.393 nan 8.380 nan 0.000 0.603 1294 Y N -0.255 120.081 120.300 0.059 0.000 2.384 1294 Y HA -0.154 4.398 4.550 0.002 0.000 0.289 1294 Y C 1.334 177.280 175.900 0.077 0.000 1.152 1294 Y CA 1.491 59.636 58.100 0.076 0.000 1.258 1294 Y CB 0.204 38.718 38.460 0.089 0.000 0.979 1294 Y HN 0.598 nan 8.280 nan 0.000 0.549 1295 E N 0.173 120.534 120.200 0.269 0.000 2.150 1295 E HA -0.186 4.166 4.350 0.002 0.000 0.193 1295 E C 0.837 177.525 176.600 0.146 0.000 0.985 1295 E CA 1.664 58.178 56.400 0.191 0.000 0.814 1295 E CB -0.135 29.632 29.700 0.112 0.000 0.752 1295 E HN 0.825 nan 8.360 nan 0.000 0.466 1296 N N -1.897 116.865 118.700 0.103 0.000 2.240 1296 N HA 0.362 5.103 4.740 0.002 0.000 0.240 1296 N C 0.956 176.486 175.510 0.033 0.000 1.277 1296 N CA 0.400 53.488 53.050 0.063 0.000 0.873 1296 N CB 0.599 39.106 38.487 0.035 0.000 1.222 1296 N HN 0.066 nan 8.380 nan 0.000 0.507 1297 A N 1.596 124.426 122.820 0.016 0.000 2.182 1297 A HA -0.219 4.102 4.320 0.002 0.000 0.235 1297 A C 0.893 178.459 177.584 -0.029 0.000 1.757 1297 A CA 1.035 53.048 52.037 -0.039 0.000 0.923 1297 A CB -1.123 17.790 19.000 -0.145 0.000 0.784 1297 A HN 0.346 nan 8.150 nan 0.000 0.514 1298 L N 0.171 121.367 121.223 -0.046 0.000 2.699 1298 L HA 0.266 4.608 4.340 0.002 0.000 0.283 1298 L C -0.309 176.568 176.870 0.012 0.000 1.166 1298 L CA 0.853 55.679 54.840 -0.023 0.000 1.043 1298 L CB -1.055 40.979 42.059 -0.041 0.000 1.369 1298 L HN 0.575 nan 8.230 nan 0.000 0.462 1299 L N 2.791 124.025 121.223 0.019 0.000 2.505 1299 L HA 0.654 4.995 4.340 0.002 0.000 0.259 1299 L C -0.294 176.592 176.870 0.028 0.000 0.952 1299 L CA -0.394 54.464 54.840 0.031 0.000 0.840 1299 L CB 1.960 44.030 42.059 0.018 0.000 1.358 1299 L HN 0.418 nan 8.230 nan 0.000 0.409 1300 A N 4.129 126.973 122.820 0.040 0.000 2.444 1300 A HA 0.633 4.954 4.320 0.002 0.000 0.273 1300 A C -0.436 177.162 177.584 0.022 0.000 1.136 1300 A CA -0.323 51.741 52.037 0.046 0.000 0.799 1300 A CB -0.213 18.826 19.000 0.066 0.000 1.081 1300 A HN 0.510 nan 8.150 nan 0.000 0.509 1301 R N 3.225 123.760 120.500 0.057 0.000 2.335 1301 R HA 0.393 4.734 4.340 0.002 0.000 0.302 1301 R C -1.091 175.339 176.300 0.216 0.000 1.147 1301 R CA -0.189 55.962 56.100 0.085 0.000 1.111 1301 R CB 0.107 30.488 30.300 0.135 0.000 1.122 1301 R HN 0.589 nan 8.270 nan 0.000 0.557 1302 T N 0.515 115.171 114.554 0.170 0.000 2.863 1302 T HA 0.593 4.944 4.350 0.002 0.000 0.285 1302 T C -0.424 174.376 174.700 0.168 0.000 1.009 1302 T CA -0.655 61.541 62.100 0.159 0.000 0.989 1302 T CB 2.485 71.425 68.868 0.121 0.000 1.004 1302 T HN 0.105 nan 8.240 nan 0.000 0.455 1303 V N 2.915 122.909 119.914 0.133 0.000 2.733 1303 V HA 0.538 4.659 4.120 0.002 0.000 0.306 1303 V C -0.685 175.450 176.094 0.068 0.000 1.084 1303 V CA -0.839 61.521 62.300 0.100 0.000 0.905 1303 V CB 2.080 33.953 31.823 0.083 0.000 1.010 1303 V HN 0.968 nan 8.190 nan 0.000 0.424 1304 E N 3.169 123.405 120.200 0.060 0.000 2.249 1304 E HA 0.703 5.054 4.350 0.002 0.000 0.263 1304 E C -1.229 175.395 176.600 0.040 0.000 0.950 1304 E CA -0.471 55.964 56.400 0.058 0.000 0.827 1304 E CB 2.475 32.217 29.700 0.068 0.000 1.220 1304 E HN 0.492 nan 8.360 nan 0.000 0.411 1305 T N 0.770 115.349 114.554 0.041 0.000 2.894 1305 T HA 0.395 4.746 4.350 0.002 0.000 0.309 1305 T C -0.670 174.052 174.700 0.037 0.000 1.208 1305 T CA -0.688 61.429 62.100 0.028 0.000 1.016 1305 T CB 1.069 69.947 68.868 0.016 0.000 1.192 1305 T HN 0.391 nan 8.240 nan 0.000 0.491 1306 K N 2.410 122.827 120.400 0.028 0.000 3.109 1306 K HA 0.450 4.771 4.320 0.002 0.000 0.214 1306 K C -1.113 175.501 176.600 0.024 0.000 1.196 1306 K CA -0.427 55.880 56.287 0.034 0.000 1.115 1306 K CB 0.407 32.924 32.500 0.028 0.000 1.103 1306 K HN 0.169 nan 8.250 nan 0.000 0.467 1307 L N 1.390 122.623 121.223 0.018 0.000 2.614 1307 L HA 0.205 4.546 4.340 0.002 0.000 0.264 1307 L C -1.219 175.649 176.870 -0.004 0.000 0.940 1307 L CA -0.643 54.202 54.840 0.007 0.000 0.903 1307 L CB 1.584 43.644 42.059 0.002 0.000 1.306 1307 L HN 0.213 nan 8.230 nan 0.000 0.410 1308 N N 5.187 123.877 118.700 -0.017 0.000 2.497 1308 N HA 0.315 5.056 4.740 0.002 0.000 0.268 1308 N C -1.022 174.467 175.510 -0.036 0.000 1.171 1308 N CA 0.229 53.257 53.050 -0.038 0.000 0.948 1308 N CB 1.024 39.465 38.487 -0.077 0.000 1.069 1308 N HN 0.776 nan 8.380 nan 0.000 0.460 1309 Q N 0.796 120.576 119.800 -0.034 0.000 2.829 1309 Q HA 0.224 4.566 4.340 0.002 0.000 0.296 1309 Q C -1.930 174.052 176.000 -0.030 0.000 0.893 1309 Q CA -0.965 54.820 55.803 -0.030 0.000 0.772 1309 Q CB 0.444 29.169 28.738 -0.022 0.000 1.489 1309 Q HN 0.391 nan 8.270 nan 0.000 0.420 1310 D N 1.662 122.046 120.400 -0.027 0.000 2.412 1310 D HA 0.195 4.836 4.640 0.002 0.000 0.257 1310 D C -0.235 176.049 176.300 -0.026 0.000 1.217 1310 D CA 0.479 54.462 54.000 -0.027 0.000 0.897 1310 D CB 0.395 41.180 40.800 -0.024 0.000 1.132 1310 D HN 0.274 nan 8.370 nan 0.000 0.493 1311 I N 1.644 122.197 120.570 -0.028 0.000 2.532 1311 I HA 0.086 4.258 4.170 0.002 0.000 0.292 1311 I C 1.018 177.117 176.117 -0.031 0.000 1.014 1311 I CA 0.151 61.433 61.300 -0.030 0.000 1.340 1311 I CB 1.133 39.115 38.000 -0.030 0.000 1.422 1311 I HN 0.105 nan 8.210 nan 0.000 0.528 1312 T N 5.277 119.809 114.554 -0.035 0.000 3.068 1312 T HA 0.418 4.769 4.350 0.002 0.000 0.364 1312 T C -0.430 174.244 174.700 -0.044 0.000 1.161 1312 T CA -0.558 61.521 62.100 -0.035 0.000 1.155 1312 T CB 0.440 69.290 68.868 -0.030 0.000 1.060 1312 T HN 0.362 nan 8.240 nan 0.000 0.513 1313 V N 1.685 121.573 119.914 -0.043 0.000 2.686 1313 V HA 0.832 4.953 4.120 0.002 0.000 0.295 1313 V C 0.152 176.223 176.094 -0.038 0.000 1.057 1313 V CA -0.558 61.711 62.300 -0.051 0.000 1.012 1313 V CB 1.359 33.154 31.823 -0.047 0.000 1.006 1313 V HN 0.697 nan 8.190 nan 0.000 0.477 1314 T N 3.013 117.544 114.554 -0.039 0.000 2.965 1314 T HA 0.696 5.047 4.350 0.002 0.000 0.306 1314 T C -0.269 174.420 174.700 -0.018 0.000 0.991 1314 T CA 0.056 62.141 62.100 -0.025 0.000 1.001 1314 T CB 1.271 70.125 68.868 -0.023 0.000 0.984 1314 T HN 1.241 nan 8.240 nan 0.000 0.446 1315 A N 2.437 125.251 122.820 -0.010 0.000 2.328 1315 A HA 0.709 5.030 4.320 0.002 0.000 0.318 1315 A C 0.250 177.837 177.584 0.005 0.000 1.347 1315 A CA -0.648 51.388 52.037 -0.001 0.000 0.842 1315 A CB 0.713 19.714 19.000 0.002 0.000 1.148 1315 A HN 0.610 nan 8.150 nan 0.000 0.499 1316 S N 2.373 118.078 115.700 0.009 0.000 2.423 1316 S HA 0.719 5.190 4.470 0.002 0.000 0.317 1316 S C 0.369 174.980 174.600 0.018 0.000 1.065 1316 S CA 0.393 58.600 58.200 0.011 0.000 1.111 1316 S CB 0.039 63.245 63.200 0.010 0.000 0.968 1316 S HN 1.659 nan 8.310 nan 0.000 0.474 1317 G N 3.448 112.258 108.800 0.018 0.000 2.490 1317 G HA2 0.288 4.249 3.960 0.002 0.000 0.308 1317 G HA3 0.288 4.249 3.960 0.002 0.000 0.308 1317 G C -0.788 174.125 174.900 0.022 0.000 1.286 1317 G CA -0.535 44.579 45.100 0.023 0.000 0.825 1317 G HN 0.504 nan 8.290 nan 0.000 0.479 1318 D N -0.145 120.271 120.400 0.026 0.000 2.799 1318 D HA 0.195 4.837 4.640 0.002 0.000 0.267 1318 D C 1.883 178.195 176.300 0.020 0.000 1.468 1318 D CA 0.658 54.672 54.000 0.025 0.000 1.077 1318 D CB -0.434 40.386 40.800 0.033 0.000 1.065 1318 D HN 0.583 nan 8.370 nan 0.000 0.359 1319 G N 0.908 109.722 108.800 0.023 0.000 2.379 1319 G HA2 0.061 4.023 3.960 0.002 0.000 0.287 1319 G HA3 0.061 4.023 3.960 0.002 0.000 0.287 1319 G C 0.155 175.060 174.900 0.008 0.000 1.422 1319 G CA -0.026 45.082 45.100 0.014 0.000 1.081 1319 G HN 0.068 nan 8.290 nan 0.000 0.569 1320 K N -1.075 119.325 120.400 0.000 0.000 2.238 1320 K HA 0.689 5.010 4.320 0.002 0.000 0.239 1320 K C -0.426 176.173 176.600 -0.002 0.000 0.987 1320 K CA -0.475 55.811 56.287 -0.002 0.000 0.857 1320 K CB 2.249 34.744 32.500 -0.009 0.000 1.154 1320 K HN 0.658 nan 8.250 nan 0.000 0.439 1321 A N 0.508 123.328 122.820 0.000 0.000 2.609 1321 A HA 0.600 4.921 4.320 0.002 0.000 0.291 1321 A C -1.293 176.292 177.584 0.002 0.000 1.096 1321 A CA -0.577 51.462 52.037 0.004 0.000 0.684 1321 A CB 2.067 21.077 19.000 0.017 0.000 1.282 1321 A HN 0.469 nan 8.150 nan 0.000 0.412 1322 T N 1.563 116.120 114.554 0.004 0.000 2.809 1322 T HA 0.580 4.931 4.350 0.002 0.000 0.284 1322 T C -0.587 174.119 174.700 0.009 0.000 0.992 1322 T CA -0.094 62.007 62.100 0.001 0.000 0.957 1322 T CB 0.578 69.443 68.868 -0.005 0.000 0.942 1322 T HN 0.699 nan 8.240 nan 0.000 0.439 1323 M N 3.900 123.503 119.600 0.005 0.000 2.364 1323 M HA 0.655 5.137 4.480 0.002 0.000 0.334 1323 M C -1.099 175.202 176.300 0.000 0.000 1.107 1323 M CA -0.190 55.114 55.300 0.007 0.000 0.988 1323 M CB 1.478 34.080 32.600 0.002 0.000 1.673 1323 M HN 0.548 nan 8.290 nan 0.000 0.441 1324 T N 4.527 119.084 114.554 0.005 0.000 3.031 1324 T HA 0.524 4.875 4.350 0.002 0.000 0.305 1324 T C -0.555 174.146 174.700 0.002 0.000 0.985 1324 T CA -0.528 61.571 62.100 -0.003 0.000 1.008 1324 T CB 0.590 69.456 68.868 -0.003 0.000 1.005 1324 T HN 0.617 nan 8.240 nan 0.000 0.444 1325 I N 4.076 124.640 120.570 -0.010 0.000 2.312 1325 I HA 0.357 4.528 4.170 0.002 0.000 0.290 1325 I C -0.426 175.675 176.117 -0.026 0.000 1.008 1325 I CA -0.934 60.360 61.300 -0.010 0.000 1.226 1325 I CB 1.345 39.335 38.000 -0.018 0.000 1.371 1325 I HN 0.378 nan 8.210 nan 0.000 0.468 1326 L N 7.126 128.341 121.223 -0.014 0.000 2.305 1326 L HA 0.593 4.934 4.340 0.002 0.000 0.284 1326 L C -0.711 176.119 176.870 -0.066 0.000 1.013 1326 L CA 0.175 54.980 54.840 -0.059 0.000 0.819 1326 L CB 1.597 43.653 42.059 -0.005 0.000 1.227 1326 L HN 0.557 nan 8.230 nan 0.000 0.417 1327 T N 4.548 118.996 114.554 -0.176 0.000 2.924 1327 T HA 0.673 5.024 4.350 0.002 0.000 0.291 1327 T C -1.205 173.357 174.700 -0.229 0.000 1.045 1327 T CA -0.251 61.790 62.100 -0.099 0.000 1.015 1327 T CB 1.721 70.552 68.868 -0.063 0.000 1.103 1327 T HN 0.336 nan 8.240 nan 0.000 0.496 1328 F N 2.108 122.159 119.950 0.169 0.000 2.574 1328 F HA 0.638 5.167 4.527 0.002 0.000 0.313 1328 F C -0.622 175.371 175.800 0.321 0.000 1.130 1328 F CA -0.875 57.256 58.000 0.219 0.000 0.936 1328 F CB 1.673 40.755 39.000 0.135 0.000 1.219 1328 F HN 0.716 nan 8.300 nan 0.000 0.445 1329 Y N 0.108 120.541 120.300 0.221 0.000 2.713 1329 Y HA 0.536 5.087 4.550 0.002 0.000 0.335 1329 Y C -1.637 174.324 175.900 0.102 0.000 1.222 1329 Y CA -1.482 56.694 58.100 0.128 0.000 1.061 1329 Y CB 1.242 39.747 38.460 0.075 0.000 1.314 1329 Y HN 0.481 nan 8.280 nan 0.000 0.453 1330 N N 1.025 119.713 118.700 -0.020 0.000 2.472 1330 N HA 0.780 5.521 4.740 0.002 0.000 0.289 1330 N C -0.936 174.469 175.510 -0.175 0.000 1.156 1330 N CA -0.448 52.527 53.050 -0.126 0.000 0.940 1330 N CB 2.148 40.620 38.487 -0.025 0.000 1.200 1330 N HN 0.891 nan 8.380 nan 0.000 0.511 1331 A N 0.254 122.976 122.820 -0.163 0.000 2.583 1331 A HA 0.686 5.007 4.320 0.002 0.000 0.299 1331 A C -1.706 175.843 177.584 -0.057 0.000 1.258 1331 A CA -0.301 51.671 52.037 -0.108 0.000 0.682 1331 A CB 2.015 20.909 19.000 -0.177 0.000 1.332 1331 A HN 0.675 nan 8.150 nan 0.000 0.485 1332 Q N -0.663 119.117 119.800 -0.033 0.000 3.012 1332 Q HA 0.411 4.752 4.340 0.002 0.000 0.285 1332 Q C -2.444 173.549 176.000 -0.012 0.000 0.922 1332 Q CA -0.373 55.416 55.803 -0.025 0.000 0.813 1332 Q CB -0.322 28.403 28.738 -0.021 0.000 1.779 1332 Q HN 0.915 nan 8.270 nan 0.000 0.500 1340 c N 5.298 123.912 118.600 0.023 0.000 3.283 1340 c HA -0.024 4.547 4.570 0.002 0.000 0.317 1340 c C 0.259 174.372 174.090 0.038 0.000 0.859 1340 c CA 0.667 57.019 56.329 0.039 0.000 2.741 1340 c CB -2.138 40.395 42.510 0.037 0.000 1.468 1340 c HN 1.880 nan 8.230 nan 0.000 0.485 1341 N N 3.330 122.051 118.700 0.036 0.000 3.061 1341 N HA 0.647 5.388 4.740 0.002 0.000 0.346 1341 N C 0.736 176.252 175.510 0.009 0.000 1.392 1341 N CA 0.232 53.282 53.050 -0.001 0.000 0.762 1341 N CB 0.383 38.849 38.487 -0.035 0.000 1.367 1341 N HN 0.550 nan 8.380 nan 0.000 0.607 1342 K N -0.947 119.377 120.400 -0.128 0.000 10.883 1342 K HA -0.228 4.093 4.320 0.002 0.000 0.526 1342 K C -0.418 175.921 176.600 -0.435 0.000 0.382 1342 K CA 1.879 57.967 56.287 -0.332 0.000 1.943 1342 K CB -1.767 30.694 32.500 -0.065 0.000 0.766 1342 K HN 0.608 nan 8.250 nan 0.000 1.214 1343 F N 1.560 121.479 119.950 -0.051 0.000 2.426 1343 F HA 0.354 4.883 4.527 0.002 0.000 0.348 1343 F C 1.102 176.957 175.800 0.091 0.000 1.124 1343 F CA -0.767 57.254 58.000 0.034 0.000 1.008 1343 F CB 1.245 40.293 39.000 0.080 0.000 1.139 1343 F HN 0.089 nan 8.300 nan 0.000 0.452 1344 H N 3.045 122.188 119.070 0.123 0.000 2.871 1344 H HA 0.457 5.015 4.556 0.002 0.000 0.355 1344 H C -0.746 174.653 175.328 0.118 0.000 1.092 1344 H CA -0.326 55.773 56.048 0.084 0.000 1.420 1344 H CB 1.150 30.942 29.762 0.050 0.000 1.400 1344 H HN 0.619 nan 8.280 nan 0.000 0.604 1345 L N 3.390 124.673 121.223 0.101 0.000 2.847 1345 L HA 0.246 4.587 4.340 0.002 0.000 0.261 1345 L C -1.926 174.911 176.870 -0.054 0.000 0.926 1345 L CA -0.410 54.446 54.840 0.026 0.000 1.010 1345 L CB 1.326 43.411 42.059 0.043 0.000 1.538 1345 L HN 0.915 nan 8.230 nan 0.000 0.465 1346 N N 2.960 121.612 118.700 -0.080 0.000 2.331 1346 N HA 0.799 5.540 4.740 0.002 0.000 0.280 1346 N C -1.652 173.810 175.510 -0.081 0.000 1.155 1346 N CA -1.100 51.905 53.050 -0.076 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 0.683 120.551 119.914 -0.075 0.000 2.713 1347 V HA 0.758 4.880 4.120 0.002 0.000 0.307 1347 V C 0.126 176.168 176.094 -0.086 0.000 1.052 1347 V CA -0.405 61.828 62.300 -0.111 0.000 0.967 1347 V CB 1.278 33.024 31.823 -0.129 0.000 1.019 1347 V HN 0.970 nan 8.190 nan 0.000 0.459 1348 S N 2.129 117.753 115.700 -0.127 0.000 2.579 1348 S HA 0.866 5.338 4.470 0.002 0.000 0.272 1348 S C -1.200 173.321 174.600 -0.131 0.000 1.141 1348 S CA -0.710 57.436 58.200 -0.090 0.000 0.843 1348 S CB 1.998 65.157 63.200 -0.068 0.000 1.122 1348 S HN 1.406 nan 8.310 nan 0.000 0.468 1349 V N 1.115 120.983 119.914 -0.077 0.000 2.924 1349 V HA 0.867 4.988 4.120 0.002 0.000 0.300 1349 V C -2.403 173.663 176.094 -0.046 0.000 1.227 1349 V CA -0.107 62.142 62.300 -0.086 0.000 0.954 1349 V CB 1.582 33.378 31.823 -0.045 0.000 1.055 1349 V HN 1.495 nan 8.190 nan 0.000 0.429 1350 E N 3.108 123.280 120.200 -0.047 0.000 2.398 1350 E HA 0.397 4.748 4.350 0.002 0.000 0.280 1350 E C -1.439 175.157 176.600 -0.007 0.000 1.122 1350 E CA -0.808 55.578 56.400 -0.024 0.000 0.873 1350 E CB 0.114 29.802 29.700 -0.021 0.000 1.294 1350 E HN 0.647 nan 8.360 nan 0.000 0.435 1351 N N 0.404 119.109 118.700 0.008 0.000 2.482 1351 N HA 0.609 5.350 4.740 0.002 0.000 0.260 1351 N C -0.299 175.237 175.510 0.042 0.000 1.236 1351 N CA -0.091 52.980 53.050 0.036 0.000 0.938 1351 N CB 0.532 39.043 38.487 0.041 0.000 1.128 1351 N HN 0.505 nan 8.380 nan 0.000 0.448 1352 I N -0.632 119.981 120.570 0.072 0.000 2.913 1352 I HA 0.164 4.335 4.170 0.002 0.000 0.302 1352 I C -1.052 175.158 176.117 0.156 0.000 1.246 1352 I CA -0.864 60.489 61.300 0.089 0.000 1.010 1352 I CB 1.979 40.017 38.000 0.064 0.000 1.259 1352 I HN 0.454 nan 8.210 nan 0.000 0.434 1353 H N 4.507 123.591 119.070 0.024 0.000 2.723 1353 H HA 0.447 5.004 4.556 0.002 0.000 0.294 1353 H C -0.995 174.350 175.328 0.028 0.000 1.079 1353 H CA -0.051 56.013 56.048 0.027 0.000 1.411 1353 H CB 1.148 30.922 29.762 0.020 0.000 1.439 1353 H HN 0.395 nan 8.280 nan 0.000 0.474 1354 L N 6.268 127.407 121.223 -0.140 0.000 2.371 1354 L HA 0.336 4.677 4.340 0.002 0.000 0.262 1354 L C -0.436 176.279 176.870 -0.259 0.000 1.054 1354 L CA -0.214 54.539 54.840 -0.145 0.000 0.924 1354 L CB -0.315 41.719 42.059 -0.042 0.000 1.295 1354 L HN 0.648 nan 8.230 nan 0.000 0.441 1361 G N 0.735 109.547 108.800 0.020 0.000 2.733 1361 G HA2 0.635 4.597 3.960 0.002 0.000 0.297 1361 G HA3 0.635 4.597 3.960 0.002 0.000 0.297 1361 G C -1.922 173.080 174.900 0.171 0.000 1.452 1361 G CA 0.151 45.306 45.100 0.092 0.000 0.940 1361 G HN 0.345 nan 8.290 nan 0.000 0.547 1362 A N 1.439 124.385 122.820 0.210 0.000 2.427 1362 A HA 0.945 5.267 4.320 0.002 0.000 0.298 1362 A C -0.661 177.025 177.584 0.170 0.000 1.036 1362 A CA -0.572 51.581 52.037 0.193 0.000 0.701 1362 A CB 1.214 20.288 19.000 0.124 0.000 1.250 1362 A HN 2.099 nan 8.150 nan 0.000 0.412 1363 L N -0.032 121.270 121.223 0.131 0.000 2.556 1363 L HA 0.889 5.230 4.340 0.002 0.000 0.257 1363 L C -1.009 175.851 176.870 -0.017 0.000 0.955 1363 L CA -0.952 53.913 54.840 0.041 0.000 0.850 1363 L CB 1.971 44.030 42.059 0.001 0.000 1.398 1363 L HN 0.708 nan 8.230 nan 0.000 0.412 1364 M N 3.186 122.763 119.600 -0.039 0.000 2.233 1364 M HA 0.591 5.072 4.480 0.002 0.000 0.355 1364 M C -1.472 174.731 176.300 -0.162 0.000 1.191 1364 M CA -0.323 54.929 55.300 -0.080 0.000 1.101 1364 M CB 1.389 33.967 32.600 -0.037 0.000 1.592 1364 M HN 0.644 nan 8.290 nan 0.000 0.461 1365 L N 5.281 126.333 121.223 -0.285 0.000 2.317 1365 L HA 0.637 4.978 4.340 0.002 0.000 0.281 1365 L C -1.209 175.439 176.870 -0.370 0.000 1.024 1365 L CA -0.157 54.421 54.840 -0.437 0.000 0.810 1365 L CB 1.354 42.980 42.059 -0.721 0.000 1.240 1365 L HN 0.849 nan 8.230 nan 0.000 0.427 1366 K N 5.861 126.081 120.400 -0.301 0.000 2.541 1366 K HA 0.648 4.969 4.320 0.002 0.000 0.250 1366 K C -1.765 174.717 176.600 -0.197 0.000 0.950 1366 K CA -0.449 55.729 56.287 -0.182 0.000 0.805 1366 K CB 1.168 33.602 32.500 -0.110 0.000 1.166 1366 K HN 0.622 nan 8.250 nan 0.000 0.430 1367 I N 3.070 123.544 120.570 -0.159 0.000 2.509 1367 I HA 0.454 4.625 4.170 0.002 0.000 0.293 1367 I C -0.702 175.368 176.117 -0.077 0.000 1.020 1367 I CA -1.103 60.117 61.300 -0.134 0.000 1.088 1367 I CB 1.972 39.884 38.000 -0.146 0.000 1.267 1367 I HN 0.536 nan 8.210 nan 0.000 0.430 1368 c N 3.444 122.004 118.600 -0.067 0.000 2.498 1368 c HA 0.876 5.448 4.570 0.002 0.000 0.316 1368 c C 0.216 174.303 174.090 -0.005 0.000 1.209 1368 c CA -0.069 56.237 56.329 -0.039 0.000 1.518 1368 c CB 1.856 44.331 42.510 -0.058 0.000 2.147 1368 c HN 0.912 nan 8.230 nan 0.000 0.483 1369 T N 2.262 116.843 114.554 0.045 0.000 2.749 1369 T HA 0.730 5.081 4.350 0.002 0.000 0.310 1369 T C -1.973 172.841 174.700 0.191 0.000 1.496 1369 T CA -0.558 61.619 62.100 0.128 0.000 1.006 1369 T CB 1.465 70.416 68.868 0.139 0.000 1.457 1369 T HN 0.923 nan 8.240 nan 0.000 0.497 1370 R N 2.181 122.859 120.500 0.296 0.000 2.937 1370 R HA 0.266 4.607 4.340 0.002 0.000 0.273 1370 R C -1.799 174.625 176.300 0.208 0.000 1.176 1370 R CA -0.692 55.560 56.100 0.254 0.000 1.132 1370 R CB 0.568 30.974 30.300 0.177 0.000 1.270 1370 R HN 0.731 nan 8.270 nan 0.000 0.425 1371 Y N 3.824 124.085 120.300 -0.065 0.000 2.469 1371 Y HA 0.173 4.724 4.550 0.002 0.000 0.353 1371 Y C -0.210 175.550 175.900 -0.233 0.000 1.269 1371 Y CA 0.830 58.618 58.100 -0.520 0.000 1.504 1371 Y CB 0.639 38.841 38.460 -0.429 0.000 1.369 1371 Y HN 0.600 nan 8.280 nan 0.000 0.654 1372 L N 4.145 125.058 121.223 -0.516 0.000 2.527 1372 L HA 0.334 4.675 4.340 0.002 0.000 0.261 1372 L C 0.020 176.697 176.870 -0.321 0.000 1.534 1372 L CA -0.075 54.621 54.840 -0.239 0.000 0.757 1372 L CB -0.053 41.881 42.059 -0.208 0.000 0.999 1372 L HN 0.870 nan 8.230 nan 0.000 0.517 1373 G N -0.483 108.197 108.800 -0.199 0.000 2.782 1373 G HA2 0.253 4.215 3.960 0.002 0.000 0.201 1373 G HA3 0.253 4.215 3.960 0.002 0.000 0.201 1373 G C 0.269 175.121 174.900 -0.080 0.000 1.374 1373 G CA -0.030 45.031 45.100 -0.064 0.000 1.039 1373 G HN 0.317 nan 8.290 nan 0.000 0.576 1374 E N -1.546 118.563 120.200 -0.151 0.000 2.318 1374 E HA 0.148 4.500 4.350 0.002 0.000 0.193 1374 E C 1.086 177.244 176.600 -0.737 0.000 0.998 1374 E CA 0.263 56.481 56.400 -0.304 0.000 0.859 1374 E CB 0.469 30.072 29.700 -0.162 0.000 0.812 1374 E HN 0.400 nan 8.360 nan 0.000 0.492 1375 V N -2.410 117.166 119.914 -0.563 0.000 3.155 1375 V HA 0.480 4.601 4.120 0.002 0.000 0.313 1375 V C -0.470 175.430 176.094 -0.323 0.000 1.162 1375 V CA -1.313 60.695 62.300 -0.486 0.000 1.048 1375 V CB 1.873 33.550 31.823 -0.244 0.000 1.092 1375 V HN -0.282 nan 8.190 nan 0.000 0.447 1376 D N 2.519 122.852 120.400 -0.111 0.000 2.390 1376 D HA 0.298 4.940 4.640 0.002 0.000 0.249 1376 D C 0.572 176.677 176.300 -0.324 0.000 1.144 1376 D CA 0.608 54.571 54.000 -0.062 0.000 0.880 1376 D CB 1.296 42.105 40.800 0.016 0.000 1.182 1376 D HN 0.991 nan 8.370 nan 0.000 0.451 1377 S N 1.311 116.718 115.700 -0.488 0.000 2.498 1377 S HA 0.132 4.603 4.470 0.002 0.000 0.281 1377 S C 0.400 174.877 174.600 -0.205 0.000 1.265 1377 S CA -0.761 57.035 58.200 -0.672 0.000 1.071 1377 S CB 0.732 63.632 63.200 -0.500 0.000 0.894 1377 S HN 0.400 nan 8.310 nan 0.000 0.491 1378 T N 4.510 118.974 114.554 -0.150 0.000 2.909 1378 T HA 0.321 4.672 4.350 0.002 0.000 0.289 1378 T C 0.529 175.260 174.700 0.051 0.000 1.005 1378 T CA -0.635 61.453 62.100 -0.020 0.000 1.084 1378 T CB -0.105 68.781 68.868 0.029 0.000 0.975 1378 T HN 0.764 nan 8.240 nan 0.000 0.509 1379 M N 3.818 123.408 119.600 -0.017 0.000 3.874 1379 M HA -0.133 4.348 4.480 0.002 0.000 0.158 1379 M C -0.043 176.282 176.300 0.041 0.000 1.507 1379 M CA 0.934 56.170 55.300 -0.108 0.000 1.044 1379 M CB -2.434 29.936 32.600 -0.383 0.000 1.334 1379 M HN 0.933 nan 8.290 nan 0.000 0.347 1380 T N 3.161 117.776 114.554 0.102 0.000 2.940 1380 T HA 0.896 5.247 4.350 0.002 0.000 0.288 1380 T C 0.403 175.183 174.700 0.134 0.000 1.045 1380 T CA -0.878 61.318 62.100 0.160 0.000 1.018 1380 T CB 2.509 71.463 68.868 0.143 0.000 1.151 1380 T HN 0.525 nan 8.240 nan 0.000 0.529 1381 I N 1.653 122.237 120.570 0.023 0.000 2.499 1381 I HA 0.367 4.538 4.170 0.002 0.000 0.288 1381 I C -1.238 174.637 176.117 -0.404 0.000 1.048 1381 I CA -1.005 60.188 61.300 -0.178 0.000 1.062 1381 I CB 1.856 39.805 38.000 -0.086 0.000 1.238 1381 I HN 0.342 nan 8.210 nan 0.000 0.426 1382 I N 5.224 125.583 120.570 -0.352 0.000 2.354 1382 I HA 0.364 4.535 4.170 0.002 0.000 0.292 1382 I C -0.257 175.679 176.117 -0.302 0.000 0.989 1382 I CA -0.428 60.691 61.300 -0.302 0.000 1.188 1382 I CB 1.344 39.249 38.000 -0.159 0.000 1.342 1382 I HN 0.454 nan 8.210 nan 0.000 0.457 1383 D N 7.632 127.861 120.400 -0.285 0.000 2.502 1383 D HA 0.545 5.187 4.640 0.002 0.000 0.249 1383 D C -0.967 175.284 176.300 -0.082 0.000 1.092 1383 D CA -0.257 53.623 54.000 -0.200 0.000 0.839 1383 D CB 1.623 42.275 40.800 -0.246 0.000 1.264 1383 D HN 0.302 nan 8.370 nan 0.000 0.511 1384 I N 2.304 122.868 120.570 -0.010 0.000 2.499 1384 I HA 0.188 4.359 4.170 0.002 0.000 0.288 1384 I C 0.283 176.468 176.117 0.113 0.000 1.048 1384 I CA -0.826 60.514 61.300 0.067 0.000 1.062 1384 I CB 2.010 40.068 38.000 0.097 0.000 1.238 1384 I HN 0.242 nan 8.210 nan 0.000 0.426 1385 S N 6.748 122.546 115.700 0.162 0.000 2.608 1385 S HA 0.694 5.165 4.470 0.002 0.000 0.291 1385 S C -0.415 174.306 174.600 0.201 0.000 1.146 1385 S CA -0.879 57.409 58.200 0.147 0.000 1.043 1385 S CB 1.842 65.105 63.200 0.104 0.000 1.037 1385 S HN 0.446 nan 8.310 nan 0.000 0.520 1386 M N 2.628 122.324 119.600 0.159 0.000 2.300 1386 M HA 0.387 4.868 4.480 0.002 0.000 0.348 1386 M C -0.450 175.913 176.300 0.105 0.000 1.151 1386 M CA -0.669 54.748 55.300 0.195 0.000 1.046 1386 M CB 0.985 33.726 32.600 0.235 0.000 1.647 1386 M HN 0.712 nan 8.290 nan 0.000 0.451 1387 L N 2.278 123.527 121.223 0.043 0.000 2.573 1387 L HA 0.003 4.344 4.340 0.002 0.000 0.290 1387 L C 0.814 177.855 176.870 0.284 0.000 1.247 1387 L CA 0.103 54.949 54.840 0.010 0.000 0.876 1387 L CB -0.562 41.435 42.059 -0.104 0.000 1.123 1387 L HN 0.701 nan 8.230 nan 0.000 0.505 1388 T N 1.195 115.829 114.554 0.134 0.000 2.933 1388 T HA 0.222 4.573 4.350 0.002 0.000 0.306 1388 T C 1.273 176.083 174.700 0.183 0.000 1.045 1388 T CA 0.329 62.498 62.100 0.116 0.000 1.143 1388 T CB 0.651 69.528 68.868 0.015 0.000 1.003 1388 T HN 1.077 nan 8.240 nan 0.000 0.540 1389 G N 1.188 110.075 108.800 0.145 0.000 2.155 1389 G HA2 -0.230 3.732 3.960 0.002 0.000 0.257 1389 G HA3 -0.230 3.732 3.960 0.002 0.000 0.257 1389 G C -0.105 174.793 174.900 -0.003 0.000 0.983 1389 G CA -0.207 44.980 45.100 0.145 0.000 0.676 1389 G HN 0.622 nan 8.290 nan 0.000 0.528 1390 F N -0.706 119.358 119.950 0.191 0.000 2.556 1390 F HA 0.865 5.393 4.527 0.002 0.000 0.327 1390 F C 0.621 176.508 175.800 0.145 0.000 1.059 1390 F CA -0.990 57.109 58.000 0.165 0.000 0.953 1390 F CB 1.707 40.791 39.000 0.140 0.000 1.227 1390 F HN -0.001 nan 8.300 nan 0.000 0.478 1391 L N 1.550 122.991 121.223 0.363 0.000 2.409 1391 L HA 0.526 4.867 4.340 0.002 0.000 0.255 1391 L C -2.786 174.217 176.870 0.222 0.000 1.027 1391 L CA -2.315 52.657 54.840 0.220 0.000 0.834 1391 L CB 2.734 44.869 42.059 0.126 0.000 1.426 1391 L HN 0.275 nan 8.230 nan 0.000 0.411 1392 P HA 0.054 nan 4.420 nan 0.000 0.275 1392 P C -1.275 176.019 177.300 -0.009 0.000 1.227 1392 P CA -0.244 62.899 63.100 0.073 0.000 0.781 1392 P CB 0.544 32.095 31.700 -0.248 0.000 0.906 1393 D N 2.608 123.032 120.400 0.039 0.000 2.343 1393 D HA 0.077 4.718 4.640 0.002 0.000 0.255 1393 D C 1.098 177.356 176.300 -0.070 0.000 1.187 1393 D CA -0.058 53.952 54.000 0.016 0.000 0.875 1393 D CB 1.264 42.106 40.800 0.070 0.000 1.136 1393 D HN 0.282 nan 8.370 nan 0.000 0.469 1394 A N 5.146 127.948 122.820 -0.031 0.000 1.849 1394 A HA -0.280 4.041 4.320 0.002 0.000 0.217 1394 A C 1.976 179.563 177.584 0.004 0.000 1.202 1394 A CA 2.133 54.170 52.037 -0.000 0.000 0.629 1394 A CB -0.746 18.288 19.000 0.057 0.000 0.834 1394 A HN 0.856 nan 8.150 nan 0.000 0.447 1395 E N -0.288 119.916 120.200 0.006 0.000 2.097 1395 E HA -0.299 4.052 4.350 0.002 0.000 0.196 1395 E C 1.381 177.973 176.600 -0.013 0.000 1.000 1395 E CA 1.744 58.146 56.400 0.004 0.000 0.804 1395 E CB -0.545 29.158 29.700 0.006 0.000 0.740 1395 E HN 0.549 nan 8.360 nan 0.000 0.454 1396 D N 0.505 120.884 120.400 -0.034 0.000 2.084 1396 D HA -0.120 4.522 4.640 0.002 0.000 0.194 1396 D C 1.896 178.139 176.300 -0.096 0.000 0.990 1396 D CA 0.853 54.823 54.000 -0.051 0.000 0.826 1396 D CB -0.277 40.507 40.800 -0.028 0.000 0.971 1396 D HN 0.090 nan 8.370 nan 0.000 0.453 1397 L N 0.731 121.832 121.223 -0.204 0.000 2.021 1397 L HA -0.214 4.127 4.340 0.002 0.000 0.215 1397 L C 2.307 179.124 176.870 -0.089 0.000 1.074 1397 L CA 1.844 56.502 54.840 -0.305 0.000 0.760 1397 L CB -1.175 40.617 42.059 -0.446 0.000 0.889 1397 L HN 0.133 nan 8.230 nan 0.000 0.433 1398 T N -1.597 112.962 114.554 0.008 0.000 2.746 1398 T HA -0.248 4.103 4.350 0.002 0.000 0.267 1398 T C 1.995 176.700 174.700 0.009 0.000 1.039 1398 T CA 1.299 63.422 62.100 0.039 0.000 1.142 1398 T CB -0.374 68.518 68.868 0.040 0.000 0.866 1398 T HN 0.291 nan 8.240 nan 0.000 0.444 1399 R N 0.683 121.184 120.500 0.002 0.000 2.241 1399 R HA 0.030 4.371 4.340 0.002 0.000 0.224 1399 R C 1.969 178.286 176.300 0.029 0.000 1.101 1399 R CA 0.778 56.888 56.100 0.016 0.000 0.995 1399 R CB -0.327 29.983 30.300 0.017 0.000 0.870 1399 R HN 0.432 nan 8.270 nan 0.000 0.463 1400 L N -0.790 120.444 121.223 0.018 0.000 2.202 1400 L HA -0.013 4.328 4.340 0.002 0.000 0.205 1400 L C 2.489 179.377 176.870 0.031 0.000 1.083 1400 L CA 0.797 55.660 54.840 0.038 0.000 0.790 1400 L CB -0.425 41.655 42.059 0.035 0.000 0.942 1400 L HN 0.163 nan 8.230 nan 0.000 0.452 1401 S N 0.068 115.774 115.700 0.010 0.000 2.402 1401 S HA -0.124 4.347 4.470 0.002 0.000 0.233 1401 S C 1.093 175.697 174.600 0.006 0.000 1.030 1401 S CA 0.952 59.150 58.200 -0.003 0.000 1.003 1401 S CB -0.181 63.008 63.200 -0.019 0.000 0.813 1401 S HN 0.069 nan 8.310 nan 0.000 0.477 1402 K N 2.362 122.771 120.400 0.016 0.000 2.412 1402 K HA 0.534 4.855 4.320 0.002 0.000 0.284 1402 K C 0.428 177.051 176.600 0.038 0.000 1.046 1402 K CA 0.788 57.088 56.287 0.022 0.000 0.999 1402 K CB -0.049 32.463 32.500 0.020 0.000 0.941 1402 K HN 0.533 nan 8.250 nan 0.000 0.474 1403 G N 0.092 108.918 108.800 0.043 0.000 2.351 1403 G HA2 -0.069 3.892 3.960 0.002 0.000 0.472 1403 G HA3 -0.069 3.892 3.960 0.002 0.000 0.472 1403 G C -0.033 174.908 174.900 0.068 0.000 1.570 1403 G CA -0.795 44.336 45.100 0.053 0.000 0.921 1403 G HN 0.138 nan 8.290 nan 0.000 0.674 1404 V N 0.626 120.576 119.914 0.060 0.000 3.573 1404 V HA 0.100 4.221 4.120 0.002 0.000 0.270 1404 V C 1.768 177.905 176.094 0.071 0.000 1.221 1404 V CA 1.803 64.142 62.300 0.066 0.000 1.163 1404 V CB -0.220 31.630 31.823 0.045 0.000 0.847 1404 V HN 0.856 nan 8.190 nan 0.000 0.468 1405 D N 0.092 120.537 120.400 0.075 0.000 2.423 1405 D HA 0.060 4.701 4.640 0.002 0.000 0.208 1405 D C 0.839 177.202 176.300 0.106 0.000 1.068 1405 D CA -0.075 53.970 54.000 0.075 0.000 0.860 1405 D CB 0.476 41.311 40.800 0.058 0.000 0.992 1405 D HN 0.383 nan 8.370 nan 0.000 0.504 1406 R N -0.588 119.989 120.500 0.129 0.000 2.564 1406 R HA 0.486 4.827 4.340 0.002 0.000 0.284 1406 R C -1.863 174.567 176.300 0.218 0.000 1.031 1406 R CA -0.701 55.500 56.100 0.168 0.000 0.904 1406 R CB 2.017 32.390 30.300 0.122 0.000 1.199 1406 R HN 0.058 nan 8.270 nan 0.000 0.443 1407 Y N 3.595 123.989 120.300 0.156 0.000 2.442 1407 Y HA 0.614 5.165 4.550 0.002 0.000 0.344 1407 Y C -1.334 174.714 175.900 0.246 0.000 0.976 1407 Y CA -1.168 57.031 58.100 0.165 0.000 1.040 1407 Y CB 1.419 39.958 38.460 0.132 0.000 1.228 1407 Y HN 0.400 nan 8.280 nan 0.000 0.451 1408 I N 4.711 125.068 120.570 -0.356 0.000 2.478 1408 I HA 0.230 4.401 4.170 0.002 0.000 0.287 1408 I C -0.192 175.768 176.117 -0.263 0.000 1.042 1408 I CA -0.769 60.478 61.300 -0.088 0.000 1.067 1408 I CB 1.521 39.525 38.000 0.008 0.000 1.233 1408 I HN 0.650 nan 8.210 nan 0.000 0.431 1409 S N 4.795 120.563 115.700 0.114 0.000 2.563 1409 S HA 0.159 4.631 4.470 0.002 0.000 0.284 1409 S C 0.548 175.203 174.600 0.092 0.000 1.331 1409 S CA -0.265 58.024 58.200 0.147 0.000 1.047 1409 S CB 0.300 63.645 63.200 0.241 0.000 0.859 1409 S HN 0.448 nan 8.310 nan 0.000 0.514 1410 R N 1.553 122.051 120.500 -0.003 0.000 2.697 1410 R HA 0.139 4.480 4.340 0.002 0.000 0.265 1410 R C -0.813 175.486 176.300 -0.002 0.000 1.009 1410 R CA 0.738 56.768 56.100 -0.117 0.000 1.099 1410 R CB -0.241 29.999 30.300 -0.100 0.000 0.965 1410 R HN 0.636 nan 8.270 nan 0.000 0.428 1411 Y N -0.390 119.880 120.300 -0.050 0.000 2.480 1411 Y HA 0.408 4.959 4.550 0.002 0.000 0.329 1411 Y C -1.001 174.872 175.900 -0.044 0.000 1.127 1411 Y CA -1.403 56.671 58.100 -0.044 0.000 1.037 1411 Y CB 0.897 39.325 38.460 -0.053 0.000 1.320 1411 Y HN 0.432 nan 8.280 nan 0.000 0.446 1412 E N 2.234 122.521 120.200 0.145 0.000 2.437 1412 E HA 0.329 4.680 4.350 0.002 0.000 0.263 1412 E C -0.798 175.898 176.600 0.159 0.000 1.030 1412 E CA -0.071 56.378 56.400 0.081 0.000 0.934 1412 E CB 1.814 31.538 29.700 0.039 0.000 0.943 1412 E HN 0.540 nan 8.360 nan 0.000 0.444 1413 V N 2.402 122.368 119.914 0.086 0.000 2.709 1413 V HA 0.352 4.473 4.120 0.002 0.000 0.308 1413 V C -0.645 175.475 176.094 0.043 0.000 1.062 1413 V CA -0.736 61.621 62.300 0.095 0.000 0.901 1413 V CB 2.299 34.183 31.823 0.101 0.000 1.003 1413 V HN 0.628 nan 8.190 nan 0.000 0.425 1414 D N 2.871 123.295 120.400 0.039 0.000 2.878 1414 D HA 0.262 4.904 4.640 0.002 0.000 0.211 1414 D C -0.145 176.172 176.300 0.028 0.000 1.271 1414 D CA -0.561 53.454 54.000 0.025 0.000 0.845 1414 D CB 1.246 42.055 40.800 0.016 0.000 1.679 1414 D HN 0.543 nan 8.370 nan 0.000 0.536 1415 N N 2.953 121.667 118.700 0.024 0.000 2.702 1415 N HA -0.292 4.449 4.740 0.002 0.000 0.255 1415 N C 0.095 175.624 175.510 0.032 0.000 0.983 1415 N CA 1.044 54.109 53.050 0.027 0.000 0.768 1415 N CB -0.721 37.785 38.487 0.031 0.000 0.918 1415 N HN 0.563 nan 8.380 nan 0.000 0.540 1416 N N -1.944 116.775 118.700 0.031 0.000 2.863 1416 N HA -0.233 4.508 4.740 0.002 0.000 0.245 1416 N C -0.818 174.714 175.510 0.037 0.000 1.001 1416 N CA 1.737 54.807 53.050 0.033 0.000 0.901 1416 N CB -0.827 37.677 38.487 0.029 0.000 1.124 1416 N HN 0.612 nan 8.380 nan 0.000 0.582 1417 M N 0.249 119.873 119.600 0.039 0.000 2.478 1417 M HA 0.608 5.089 4.480 0.002 0.000 0.327 1417 M C 0.572 176.887 176.300 0.025 0.000 1.187 1417 M CA -0.447 54.874 55.300 0.035 0.000 1.022 1417 M CB 1.838 34.467 32.600 0.048 0.000 1.629 1417 M HN 0.150 nan 8.290 nan 0.000 0.461 1418 A N 1.115 123.919 122.820 -0.026 0.000 2.312 1418 A HA 0.460 4.781 4.320 0.002 0.000 0.328 1418 A C 0.023 177.581 177.584 -0.044 0.000 1.158 1418 A CA -0.637 51.362 52.037 -0.062 0.000 0.821 1418 A CB 0.779 19.543 19.000 -0.393 0.000 1.170 1418 A HN 0.786 nan 8.150 nan 0.000 0.490 1419 Q N 1.008 120.812 119.800 0.007 0.000 2.225 1419 Q HA 0.114 4.455 4.340 0.002 0.000 0.222 1419 Q C -0.487 175.504 176.000 -0.015 0.000 0.887 1419 Q CA 0.457 56.258 55.803 -0.004 0.000 0.958 1419 Q CB 0.046 28.785 28.738 0.001 0.000 1.058 1419 Q HN 0.499 nan 8.270 nan 0.000 0.459 1420 K N 0.535 120.914 120.400 -0.034 0.000 2.183 1420 K HA 0.274 4.595 4.320 0.002 0.000 0.274 1420 K C 0.804 177.417 176.600 0.022 0.000 1.009 1420 K CA -0.310 55.969 56.287 -0.013 0.000 0.888 1420 K CB 2.344 34.823 32.500 -0.034 0.000 1.078 1420 K HN -0.186 nan 8.250 nan 0.000 0.459 1421 V N 0.844 120.790 119.914 0.053 0.000 3.174 1421 V HA 0.027 4.148 4.120 0.002 0.000 0.254 1421 V C 0.696 176.845 176.094 0.092 0.000 1.120 1421 V CA 0.601 62.960 62.300 0.099 0.000 1.114 1421 V CB 0.099 32.002 31.823 0.134 0.000 0.756 1421 V HN 0.752 nan 8.190 nan 0.000 0.467 1422 A N 0.365 123.225 122.820 0.067 0.000 2.285 1422 A HA 0.687 5.009 4.320 0.002 0.000 0.310 1422 A C -0.887 176.722 177.584 0.042 0.000 1.266 1422 A CA -0.255 51.820 52.037 0.064 0.000 0.832 1422 A CB 1.304 20.341 19.000 0.062 0.000 1.163 1422 A HN 0.038 nan 8.150 nan 0.000 0.499 1423 V N 5.565 125.502 119.914 0.038 0.000 2.435 1423 V HA 0.586 4.707 4.120 0.002 0.000 0.290 1423 V C -0.483 175.611 176.094 0.000 0.000 1.030 1423 V CA -0.555 61.745 62.300 0.001 0.000 0.881 1423 V CB 1.454 33.248 31.823 -0.049 0.000 0.983 1423 V HN 0.789 nan 8.190 nan 0.000 0.445 1424 I N 5.270 125.837 120.570 -0.005 0.000 2.646 1424 I HA 0.651 4.823 4.170 0.002 0.000 0.299 1424 I C -0.931 175.123 176.117 -0.104 0.000 1.036 1424 I CA -0.980 60.262 61.300 -0.098 0.000 1.074 1424 I CB 2.002 39.939 38.000 -0.105 0.000 1.258 1424 I HN 0.451 nan 8.210 nan 0.000 0.430 1425 I N 5.519 125.929 120.570 -0.265 0.000 2.500 1425 I HA 0.330 4.501 4.170 0.002 0.000 0.286 1425 I C -1.369 174.638 176.117 -0.184 0.000 1.063 1425 I CA -0.487 60.761 61.300 -0.087 0.000 1.062 1425 I CB 1.940 39.931 38.000 -0.015 0.000 1.223 1425 I HN 0.501 nan 8.210 nan 0.000 0.435 1426 Y N 6.447 126.867 120.300 0.200 0.000 2.341 1426 Y HA 0.499 5.051 4.550 0.002 0.000 0.340 1426 Y C 0.079 176.075 175.900 0.159 0.000 0.997 1426 Y CA -1.094 57.130 58.100 0.208 0.000 1.149 1426 Y CB 1.016 39.637 38.460 0.269 0.000 1.171 1426 Y HN 0.263 nan 8.280 nan 0.000 0.494 1427 L N 0.265 121.610 121.223 0.204 0.000 2.330 1427 L HA 0.549 4.891 4.340 0.002 0.000 0.271 1427 L C 0.089 177.017 176.870 0.097 0.000 1.013 1427 L CA -1.095 53.831 54.840 0.143 0.000 0.816 1427 L CB 1.207 43.327 42.059 0.102 0.000 1.287 1427 L HN 0.505 nan 8.230 nan 0.000 0.435 1428 N N 0.854 119.595 118.700 0.068 0.000 2.270 1428 N HA -0.089 4.652 4.740 0.002 0.000 0.181 1428 N C -0.092 175.424 175.510 0.010 0.000 1.016 1428 N CA 1.073 54.135 53.050 0.020 0.000 0.870 1428 N CB 0.058 38.556 38.487 0.018 0.000 0.979 1428 N HN 0.730 nan 8.380 nan 0.000 0.431 1429 K N -2.684 117.736 120.400 0.033 0.000 2.680 1429 K HA 0.627 4.948 4.320 0.002 0.000 0.295 1429 K C -1.550 175.088 176.600 0.062 0.000 1.052 1429 K CA -0.880 55.426 56.287 0.031 0.000 0.863 1429 K CB 1.426 33.926 32.500 0.001 0.000 1.549 1429 K HN -0.270 nan 8.250 nan 0.000 0.391 1430 V N -0.043 119.913 119.914 0.071 0.000 2.852 1430 V HA 0.435 4.556 4.120 0.002 0.000 0.300 1430 V C -0.506 175.654 176.094 0.111 0.000 1.205 1430 V CA -0.929 61.439 62.300 0.114 0.000 0.940 1430 V CB 2.133 34.075 31.823 0.199 0.000 1.047 1430 V HN 0.860 nan 8.190 nan 0.000 0.429 1431 S N 2.116 117.875 115.700 0.099 0.000 2.569 1431 S HA 0.093 4.564 4.470 0.002 0.000 0.274 1431 S C 0.934 175.626 174.600 0.154 0.000 1.353 1431 S CA 0.143 58.395 58.200 0.086 0.000 1.023 1431 S CB 0.058 63.264 63.200 0.011 0.000 0.876 1431 S HN 1.034 nan 8.310 nan 0.000 0.540 1432 H N 0.225 119.331 119.070 0.060 0.000 2.592 1432 H HA 0.427 4.984 4.556 0.002 0.000 0.279 1432 H C 0.588 175.936 175.328 0.033 0.000 1.089 1432 H CA 0.053 56.145 56.048 0.074 0.000 1.150 1432 H CB -0.153 29.669 29.762 0.101 0.000 1.575 1432 H HN 0.370 nan 8.280 nan 0.000 0.547 1433 S N 0.336 115.835 115.700 -0.335 0.000 2.998 1433 S HA 0.149 4.620 4.470 0.002 0.000 0.208 1433 S C -0.044 174.477 174.600 -0.132 0.000 0.876 1433 S CA -0.090 57.897 58.200 -0.355 0.000 0.836 1433 S CB 0.608 63.590 63.200 -0.364 0.000 0.817 1433 S HN 0.265 nan 8.310 nan 0.000 0.631 1434 E N 1.668 121.824 120.200 -0.073 0.000 2.227 1434 E HA 0.441 4.792 4.350 0.002 0.000 0.268 1434 E C -1.731 174.878 176.600 0.014 0.000 0.907 1434 E CA -0.661 55.725 56.400 -0.023 0.000 0.786 1434 E CB 0.604 30.289 29.700 -0.025 0.000 1.191 1434 E HN 0.026 nan 8.360 nan 0.000 0.411 1435 D N 2.627 123.045 120.400 0.030 0.000 2.455 1435 D HA -0.050 4.591 4.640 0.002 0.000 0.265 1435 D C -0.507 175.809 176.300 0.026 0.000 1.284 1435 D CA 0.710 54.736 54.000 0.042 0.000 0.944 1435 D CB 0.182 40.996 40.800 0.024 0.000 1.121 1435 D HN 0.262 nan 8.370 nan 0.000 0.525 1436 E N 1.474 121.701 120.200 0.045 0.000 2.227 1436 E HA 0.410 4.761 4.350 0.002 0.000 0.282 1436 E C -0.638 175.976 176.600 0.024 0.000 1.015 1436 E CA -0.433 55.988 56.400 0.035 0.000 0.823 1436 E CB 1.555 31.289 29.700 0.057 0.000 1.081 1436 E HN 0.351 nan 8.360 nan 0.000 0.396 1437 c N 3.543 122.144 118.600 0.001 0.000 3.086 1437 c HA 0.644 5.216 4.570 0.002 0.000 0.311 1437 c C -1.554 172.522 174.090 -0.024 0.000 1.260 1437 c CA -0.621 55.696 56.329 -0.021 0.000 1.426 1437 c CB 1.400 43.880 42.510 -0.049 0.000 1.826 1437 c HN 0.663 nan 8.230 nan 0.000 0.474 1438 L N 1.513 122.727 121.223 -0.015 0.000 2.801 1438 L HA 0.785 5.127 4.340 0.002 0.000 0.264 1438 L C -1.073 175.862 176.870 0.108 0.000 1.086 1438 L CA -0.521 54.346 54.840 0.044 0.000 0.920 1438 L CB 0.968 43.096 42.059 0.116 0.000 1.529 1438 L HN 1.061 nan 8.230 nan 0.000 0.399 1439 H N -0.966 118.105 119.070 0.002 0.000 3.064 1439 H HA 0.837 5.394 4.556 0.002 0.000 0.352 1439 H C -1.719 173.653 175.328 0.073 0.000 1.260 1439 H CA -0.817 55.194 56.048 -0.062 0.000 1.160 1439 H CB 2.349 32.078 29.762 -0.055 0.000 1.879 1439 H HN 0.845 nan 8.280 nan 0.000 0.544 1440 F N -1.105 118.781 119.950 -0.107 0.000 2.719 1440 F HA 0.508 5.036 4.527 0.002 0.000 0.309 1440 F C -1.763 173.959 175.800 -0.129 0.000 1.138 1440 F CA -1.408 56.475 58.000 -0.194 0.000 0.943 1440 F CB 1.378 40.295 39.000 -0.137 0.000 1.304 1440 F HN 0.521 nan 8.300 nan 0.000 0.445 1441 K N 3.048 123.548 120.400 0.166 0.000 2.237 1441 K HA 0.638 4.959 4.320 0.002 0.000 0.270 1441 K C -0.595 176.139 176.600 0.223 0.000 1.015 1441 K CA -0.549 55.801 56.287 0.106 0.000 0.949 1441 K CB 1.783 34.327 32.500 0.073 0.000 0.976 1441 K HN 0.820 nan 8.250 nan 0.000 0.472 1442 I N 0.558 121.211 120.570 0.140 0.000 2.730 1442 I HA 0.447 4.619 4.170 0.002 0.000 0.298 1442 I C -1.829 174.462 176.117 0.289 0.000 1.089 1442 I CA -1.234 60.193 61.300 0.212 0.000 1.041 1442 I CB 1.343 39.411 38.000 0.114 0.000 1.235 1442 I HN 0.320 nan 8.210 nan 0.000 0.423 1443 L N 5.237 126.704 121.223 0.407 0.000 2.350 1443 L HA 0.627 4.968 4.340 0.002 0.000 0.260 1443 L C -0.278 176.783 176.870 0.319 0.000 1.015 1443 L CA -0.563 54.481 54.840 0.340 0.000 0.821 1443 L CB 1.514 43.683 42.059 0.184 0.000 1.370 1443 L HN 0.664 nan 8.230 nan 0.000 0.416 1444 K N -0.277 120.129 120.400 0.011 0.000 2.267 1444 K HA 0.497 4.819 4.320 0.002 0.000 0.236 1444 K C 0.217 176.758 176.600 -0.097 0.000 1.030 1444 K CA -0.315 55.711 56.287 -0.435 0.000 0.930 1444 K CB 1.025 33.180 32.500 -0.576 0.000 1.182 1444 K HN 0.899 nan 8.250 nan 0.000 0.474 1445 H N -0.650 118.304 119.070 -0.194 0.000 1.955 1445 H HA 0.169 4.727 4.556 0.002 0.000 0.196 1445 H C -0.714 174.665 175.328 0.085 0.000 0.891 1445 H CA -0.096 55.942 56.048 -0.017 0.000 1.001 1445 H CB 0.533 30.320 29.762 0.041 0.000 1.195 1445 H HN 0.365 nan 8.280 nan 0.000 0.384 1446 F N 2.339 121.566 119.950 -1.206 0.000 2.529 1446 F HA 0.309 4.837 4.527 0.002 0.000 0.320 1446 F C 0.606 176.114 175.800 -0.486 0.000 1.118 1446 F CA -1.048 56.560 58.000 -0.652 0.000 0.915 1446 F CB 2.318 41.028 39.000 -0.484 0.000 1.161 1446 F HN 0.095 nan 8.300 nan 0.000 0.445 1447 E N 3.573 123.288 120.200 -0.807 0.000 2.381 1447 E HA 0.096 4.447 4.350 0.002 0.000 0.198 1447 E C -0.421 175.935 176.600 -0.408 0.000 1.204 1447 E CA 0.063 56.141 56.400 -0.537 0.000 0.998 1447 E CB -0.725 28.681 29.700 -0.488 0.000 1.080 1447 E HN 0.345 nan 8.360 nan 0.000 0.481 1448 V N -0.790 118.965 119.914 -0.265 0.000 2.872 1448 V HA 0.311 4.432 4.120 0.002 0.000 0.307 1448 V C 1.553 177.605 176.094 -0.069 0.000 1.072 1448 V CA -0.197 62.080 62.300 -0.038 0.000 1.148 1448 V CB 0.049 31.962 31.823 0.149 0.000 0.954 1448 V HN 0.441 nan 8.190 nan 0.000 0.490 1449 G N 2.506 111.281 108.800 -0.042 0.000 2.531 1449 G HA2 -0.287 3.675 3.960 0.002 0.000 0.477 1449 G HA3 -0.287 3.675 3.960 0.002 0.000 0.477 1449 G C -0.221 174.732 174.900 0.088 0.000 1.342 1449 G CA 0.516 45.605 45.100 -0.019 0.000 0.911 1449 G HN 1.189 nan 8.290 nan 0.000 0.532 1450 F N 0.653 120.573 119.950 -0.050 0.000 2.586 1450 F HA 0.342 4.871 4.527 0.002 0.000 0.335 1450 F C 1.162 176.975 175.800 0.022 0.000 1.210 1450 F CA -1.148 56.861 58.000 0.015 0.000 1.359 1450 F CB 0.039 39.078 39.000 0.065 0.000 1.142 1450 F HN 0.476 nan 8.300 nan 0.000 0.606 1451 I N 3.810 124.669 120.570 0.482 0.000 2.371 1451 I HA 0.254 4.425 4.170 0.002 0.000 0.282 1451 I C -0.202 175.476 176.117 -0.732 0.000 1.031 1451 I CA -0.697 60.588 61.300 -0.025 0.000 1.180 1451 I CB 0.497 38.670 38.000 0.287 0.000 1.336 1451 I HN 0.574 nan 8.210 nan 0.000 0.467 1452 Q N 7.155 126.532 119.800 -0.706 0.000 2.330 1452 Q HA 0.238 4.580 4.340 0.002 0.000 0.279 1452 Q C -2.258 173.295 176.000 -0.744 0.000 1.024 1452 Q CA -0.981 54.331 55.803 -0.818 0.000 0.900 1452 Q CB 0.905 29.331 28.738 -0.520 0.000 1.221 1452 Q HN 0.402 nan 8.270 nan 0.000 0.396 1453 P HA 0.146 nan 4.420 nan 0.000 0.273 1453 P C -0.740 176.180 177.300 -0.634 0.000 1.250 1453 P CA -0.261 62.390 63.100 -0.748 0.000 0.793 1453 P CB 0.633 31.953 31.700 -0.635 0.000 1.011 1454 G N -0.559 107.741 108.800 -0.833 0.000 2.537 1454 G HA2 0.566 4.527 3.960 0.002 0.000 0.323 1454 G HA3 0.566 4.527 3.960 0.002 0.000 0.323 1454 G C -0.941 173.959 174.900 0.001 0.000 1.207 1454 G CA -0.527 44.199 45.100 -0.622 0.000 0.976 1454 G HN 0.549 nan 8.290 nan 0.000 0.487 1455 S N -1.548 114.315 115.700 0.270 0.000 2.537 1455 S HA 0.749 5.220 4.470 0.002 0.000 0.301 1455 S C -1.105 173.626 174.600 0.218 0.000 1.092 1455 S CA -0.793 57.591 58.200 0.307 0.000 1.048 1455 S CB 2.132 65.470 63.200 0.230 0.000 1.053 1455 S HN 0.802 nan 8.310 nan 0.000 0.501 1456 V N 2.536 122.483 119.914 0.055 0.000 2.612 1456 V HA 0.530 4.652 4.120 0.002 0.000 0.301 1456 V C -1.309 174.707 176.094 -0.130 0.000 1.059 1456 V CA -0.574 61.703 62.300 -0.038 0.000 0.886 1456 V CB 1.964 33.749 31.823 -0.063 0.000 1.007 1456 V HN 1.028 nan 8.190 nan 0.000 0.426 1457 K N 4.486 124.783 120.400 -0.172 0.000 2.397 1457 K HA 0.778 5.099 4.320 0.002 0.000 0.253 1457 K C -1.331 175.050 176.600 -0.364 0.000 0.932 1457 K CA -0.699 55.457 56.287 -0.218 0.000 0.795 1457 K CB 2.829 35.235 32.500 -0.157 0.000 1.159 1457 K HN 0.360 nan 8.250 nan 0.000 0.424 1458 V N 4.050 123.755 119.914 -0.349 0.000 2.417 1458 V HA 0.484 4.606 4.120 0.002 0.000 0.291 1458 V C -1.384 174.404 176.094 -0.510 0.000 1.024 1458 V CA -0.643 61.349 62.300 -0.513 0.000 0.861 1458 V CB 0.567 32.058 31.823 -0.553 0.000 0.985 1458 V HN 0.722 nan 8.190 nan 0.000 0.436 1459 Y N 1.891 121.993 120.300 -0.331 0.000 2.479 1459 Y HA 0.727 5.278 4.550 0.002 0.000 0.338 1459 Y C -0.292 175.600 175.900 -0.013 0.000 1.055 1459 Y CA -1.529 56.453 58.100 -0.198 0.000 1.023 1459 Y CB 1.245 39.679 38.460 -0.043 0.000 1.287 1459 Y HN 0.455 nan 8.280 nan 0.000 0.447 1460 S N 2.215 118.146 115.700 0.385 0.000 2.601 1460 S HA 0.166 4.637 4.470 0.002 0.000 0.271 1460 S C 0.761 175.601 174.600 0.401 0.000 1.305 1460 S CA -0.301 58.173 58.200 0.457 0.000 1.022 1460 S CB 0.399 63.976 63.200 0.628 0.000 0.940 1460 S HN 0.791 nan 8.310 nan 0.000 0.525 1461 Y N 4.710 125.171 120.300 0.269 0.000 2.097 1461 Y HA -0.204 4.348 4.550 0.002 0.000 0.282 1461 Y C 1.408 177.370 175.900 0.103 0.000 1.152 1461 Y CA 2.022 60.238 58.100 0.193 0.000 1.136 1461 Y CB -0.955 37.498 38.460 -0.011 0.000 0.975 1461 Y HN 0.873 nan 8.280 nan 0.000 0.498 1462 Y N 0.671 120.766 120.300 -0.341 0.000 2.569 1462 Y HA -0.102 4.449 4.550 0.002 0.000 0.293 1462 Y C 0.093 175.885 175.900 -0.179 0.000 1.144 1462 Y CA 1.424 59.292 58.100 -0.388 0.000 1.321 1462 Y CB -0.392 37.998 38.460 -0.116 0.000 0.982 1462 Y HN 0.268 nan 8.280 nan 0.000 0.558 1463 N N -0.217 118.536 118.700 0.088 0.000 2.790 1463 N HA 0.261 5.002 4.740 0.002 0.000 0.256 1463 N C -0.677 174.880 175.510 0.079 0.000 1.409 1463 N CA -0.044 53.075 53.050 0.115 0.000 0.799 1463 N CB 0.464 39.098 38.487 0.245 0.000 1.170 1463 N HN 0.084 nan 8.380 nan 0.000 0.507 1464 L N 0.252 121.446 121.223 -0.048 0.000 2.728 1464 L HA 0.248 4.589 4.340 0.002 0.000 0.235 1464 L C 0.220 177.000 176.870 -0.150 0.000 1.197 1464 L CA 0.325 55.067 54.840 -0.164 0.000 0.992 1464 L CB 0.280 42.219 42.059 -0.199 0.000 1.263 1464 L HN 0.335 nan 8.230 nan 0.000 0.484 1465 D N -0.824 119.541 120.400 -0.058 0.000 2.440 1465 D HA 0.008 4.649 4.640 0.002 0.000 0.216 1465 D C 0.493 176.801 176.300 0.012 0.000 1.150 1465 D CA 0.013 53.992 54.000 -0.036 0.000 0.832 1465 D CB 0.367 41.151 40.800 -0.026 0.000 0.992 1465 D HN 0.090 nan 8.370 nan 0.000 0.502 1466 E N 1.934 122.165 120.200 0.051 0.000 2.341 1466 E HA -0.049 4.303 4.350 0.002 0.000 0.256 1466 E C 0.441 177.105 176.600 0.106 0.000 1.125 1466 E CA 0.275 56.750 56.400 0.124 0.000 0.939 1466 E CB 0.331 30.168 29.700 0.229 0.000 0.991 1466 E HN -0.212 nan 8.360 nan 0.000 0.458 1467 K N 3.923 124.367 120.400 0.074 0.000 2.577 1467 K HA 0.091 4.412 4.320 0.002 0.000 0.210 1467 K C -0.355 176.268 176.600 0.037 0.000 1.048 1467 K CA -0.203 56.115 56.287 0.051 0.000 1.188 1467 K CB -0.314 32.201 32.500 0.026 0.000 0.910 1467 K HN 0.392 nan 8.250 nan 0.000 0.483 1468 c N 2.398 121.033 118.600 0.058 0.000 2.305 1468 c HA 0.204 4.775 4.570 0.002 0.000 0.378 1468 c C 0.524 174.583 174.090 -0.051 0.000 1.047 1468 c CA 0.134 56.474 56.329 0.019 0.000 1.385 1468 c CB -1.548 41.003 42.510 0.068 0.000 1.825 1468 c HN 0.325 nan 8.230 nan 0.000 0.508 1469 T N 4.569 119.065 114.554 -0.098 0.000 2.887 1469 T HA 0.581 4.932 4.350 0.002 0.000 0.288 1469 T C -0.760 173.764 174.700 -0.294 0.000 1.021 1469 T CA -0.380 61.603 62.100 -0.195 0.000 1.000 1469 T CB 0.714 69.468 68.868 -0.190 0.000 1.034 1469 T HN 0.744 nan 8.240 nan 0.000 0.467 1470 K N 1.949 122.122 120.400 -0.378 0.000 2.522 1470 K HA 0.577 4.899 4.320 0.002 0.000 0.275 1470 K C -1.586 174.746 176.600 -0.447 0.000 1.006 1470 K CA -0.729 55.326 56.287 -0.387 0.000 0.890 1470 K CB 1.702 34.116 32.500 -0.143 0.000 1.475 1470 K HN 0.405 nan 8.250 nan 0.000 0.441 1471 F N 0.461 120.443 119.950 0.052 0.000 2.594 1471 F HA 0.540 5.068 4.527 0.002 0.000 0.335 1471 F C -0.298 175.590 175.800 0.148 0.000 1.058 1471 F CA -0.649 57.387 58.000 0.059 0.000 0.981 1471 F CB 1.202 40.189 39.000 -0.021 0.000 1.289 1471 F HN 0.466 nan 8.300 nan 0.000 0.490 1472 Y N -1.139 119.289 120.300 0.214 0.000 2.609 1472 Y HA 0.721 5.273 4.550 0.002 0.000 0.336 1472 Y C -1.510 174.461 175.900 0.119 0.000 1.129 1472 Y CA -1.102 57.061 58.100 0.104 0.000 1.040 1472 Y CB 1.815 40.292 38.460 0.027 0.000 1.310 1472 Y HN 0.775 nan 8.280 nan 0.000 0.460 1473 H N 2.992 122.097 119.070 0.058 0.000 3.141 1473 H HA 0.137 4.694 4.556 0.002 0.000 0.309 1473 H C -2.601 172.749 175.328 0.038 0.000 1.083 1473 H CA -1.544 54.484 56.048 -0.033 0.000 1.466 1473 H CB 2.888 32.608 29.762 -0.070 0.000 2.095 1473 H HN 0.526 nan 8.280 nan 0.000 0.467 1474 P HA -0.214 nan 4.420 nan 0.000 0.216 1474 P C 0.490 177.714 177.300 -0.126 0.000 1.167 1474 P CA 1.874 64.914 63.100 -0.101 0.000 0.914 1474 P CB 0.303 31.928 31.700 -0.125 0.000 0.793 1475 D N -1.812 118.436 120.400 -0.252 0.000 2.349 1475 D HA 0.016 4.657 4.640 0.002 0.000 0.215 1475 D C 0.530 176.778 176.300 -0.088 0.000 1.016 1475 D CA 0.591 54.495 54.000 -0.158 0.000 0.870 1475 D CB -0.320 40.374 40.800 -0.177 0.000 0.917 1475 D HN 0.123 nan 8.370 nan 0.000 0.524 1476 K N 0.929 121.294 120.400 -0.059 0.000 2.265 1476 K HA 0.421 4.742 4.320 0.002 0.000 0.267 1476 K C 1.217 177.854 176.600 0.062 0.000 0.994 1476 K CA -0.447 55.872 56.287 0.052 0.000 0.860 1476 K CB 1.818 34.419 32.500 0.168 0.000 1.099 1476 K HN 0.052 nan 8.250 nan 0.000 0.448 1477 G N 1.540 110.368 108.800 0.047 0.000 2.433 1477 G HA2 -0.242 3.719 3.960 0.002 0.000 0.216 1477 G HA3 -0.242 3.719 3.960 0.002 0.000 0.216 1477 G C 1.096 176.035 174.900 0.065 0.000 1.186 1477 G CA 1.453 46.580 45.100 0.044 0.000 0.779 1477 G HN 0.618 nan 8.290 nan 0.000 0.543 1478 T N -3.005 111.595 114.554 0.075 0.000 3.069 1478 T HA 0.422 4.773 4.350 0.002 0.000 0.252 1478 T C 1.953 176.736 174.700 0.137 0.000 1.053 1478 T CA 0.796 62.950 62.100 0.091 0.000 0.964 1478 T CB 0.439 69.352 68.868 0.075 0.000 1.005 1478 T HN 1.350 nan 8.240 nan 0.000 0.532 1479 G N 1.394 110.277 108.800 0.137 0.000 2.377 1479 G HA2 -0.277 3.684 3.960 0.002 0.000 0.250 1479 G HA3 -0.277 3.684 3.960 0.002 0.000 0.250 1479 G C 0.087 175.022 174.900 0.058 0.000 1.039 1479 G CA 0.180 45.365 45.100 0.142 0.000 0.625 1479 G HN 0.762 nan 8.290 nan 0.000 0.526 1480 L N 3.344 124.628 121.223 0.101 0.000 2.628 1480 L HA 0.482 4.823 4.340 0.002 0.000 0.274 1480 L C 0.984 177.853 176.870 -0.002 0.000 1.209 1480 L CA -0.823 54.045 54.840 0.047 0.000 0.930 1480 L CB -0.345 41.766 42.059 0.086 0.000 1.183 1480 L HN 0.666 nan 8.230 nan 0.000 0.492 1481 L N 3.524 124.703 121.223 -0.074 0.000 2.476 1481 L HA 0.398 4.739 4.340 0.002 0.000 0.264 1481 L C 0.396 177.283 176.870 0.028 0.000 1.224 1481 L CA -0.279 54.554 54.840 -0.011 0.000 0.821 1481 L CB -0.831 41.202 42.059 -0.044 0.000 1.101 1481 L HN 0.605 nan 8.230 nan 0.000 0.488 1482 N N 0.997 119.734 118.700 0.061 0.000 2.508 1482 N HA 0.457 5.199 4.740 0.002 0.000 0.264 1482 N C -0.586 174.948 175.510 0.040 0.000 1.216 1482 N CA -0.075 53.004 53.050 0.049 0.000 0.943 1482 N CB 0.475 38.990 38.487 0.047 0.000 1.113 1482 N HN 0.807 nan 8.380 nan 0.000 0.447 1483 K N 0.151 120.572 120.400 0.035 0.000 2.625 1483 K HA 0.464 4.786 4.320 0.002 0.000 0.284 1483 K C -1.539 175.080 176.600 0.031 0.000 0.984 1483 K CA -0.710 55.596 56.287 0.032 0.000 0.865 1483 K CB 0.836 33.353 32.500 0.028 0.000 1.468 1483 K HN 0.272 nan 8.250 nan 0.000 0.407 1484 I N 1.006 121.593 120.570 0.029 0.000 2.530 1484 I HA 0.458 4.629 4.170 0.002 0.000 0.297 1484 I C -0.828 175.302 176.117 0.023 0.000 1.011 1484 I CA -0.994 60.323 61.300 0.029 0.000 1.107 1484 I CB 1.987 40.006 38.000 0.032 0.000 1.285 1484 I HN 0.609 nan 8.210 nan 0.000 0.436 1485 c N 6.349 124.963 118.600 0.023 0.000 2.547 1485 c HA 0.690 5.261 4.570 0.002 0.000 0.313 1485 c C -0.415 173.685 174.090 0.017 0.000 1.191 1485 c CA -0.662 55.677 56.329 0.018 0.000 1.474 1485 c CB 1.186 43.707 42.510 0.019 0.000 2.081 1485 c HN 0.665 nan 8.230 nan 0.000 0.476 1486 I N 1.126 121.703 120.570 0.012 0.000 2.534 1486 I HA 0.778 4.950 4.170 0.002 0.000 0.288 1486 I C 0.434 176.556 176.117 0.008 0.000 1.077 1486 I CA 0.274 61.581 61.300 0.011 0.000 1.051 1486 I CB 1.484 39.490 38.000 0.011 0.000 1.234 1486 I HN 0.980 nan 8.210 nan 0.000 0.425 1487 G N 5.670 114.475 108.800 0.009 0.000 2.622 1487 G HA2 -0.400 3.561 3.960 0.002 0.000 0.307 1487 G HA3 -0.400 3.561 3.960 0.002 0.000 0.307 1487 G C 0.515 175.420 174.900 0.009 0.000 1.226 1487 G CA 1.061 46.166 45.100 0.008 0.000 0.997 1487 G HN 0.860 nan 8.290 nan 0.000 0.551 1488 N N -0.058 118.646 118.700 0.007 0.000 2.424 1488 N HA 0.186 4.927 4.740 0.002 0.000 0.178 1488 N C 0.972 176.486 175.510 0.007 0.000 1.060 1488 N CA 0.902 53.957 53.050 0.009 0.000 0.901 1488 N CB 0.062 38.554 38.487 0.008 0.000 0.979 1488 N HN 0.506 nan 8.380 nan 0.000 0.451 1489 V N 0.280 120.195 119.914 0.003 0.000 2.686 1489 V HA 0.280 4.401 4.120 0.002 0.000 0.295 1489 V C 0.417 176.511 176.094 0.001 0.000 1.057 1489 V CA -0.654 61.645 62.300 -0.002 0.000 1.012 1489 V CB 1.369 33.186 31.823 -0.009 0.000 1.006 1489 V HN 0.060 nan 8.190 nan 0.000 0.477 1490 c N 3.407 122.006 118.600 -0.002 0.000 3.080 1490 c HA 0.963 5.534 4.570 0.002 0.000 0.307 1490 c C 0.002 174.089 174.090 -0.005 0.000 1.311 1490 c CA -0.442 55.889 56.329 0.003 0.000 1.533 1490 c CB 2.305 44.821 42.510 0.010 0.000 1.970 1490 c HN 1.058 nan 8.230 nan 0.000 0.467 1491 R N 0.031 120.533 120.500 0.003 0.000 2.756 1491 R HA 0.531 4.873 4.340 0.002 0.000 0.273 1491 R C -0.675 175.637 176.300 0.019 0.000 1.030 1491 R CA -0.272 55.829 56.100 0.002 0.000 0.887 1491 R CB 0.013 30.306 30.300 -0.011 0.000 1.274 1491 R HN 0.916 nan 8.270 nan 0.000 0.461 1492 c N -0.515 118.102 118.600 0.028 0.000 2.832 1492 c HA 0.634 5.205 4.570 0.002 0.000 0.299 1492 c C 1.350 175.467 174.090 0.045 0.000 1.440 1492 c CA 0.996 57.353 56.329 0.047 0.000 2.191 1492 c CB 0.479 43.035 42.510 0.076 0.000 2.243 1492 c HN 0.766 nan 8.230 nan 0.000 0.720 1493 A N -1.303 121.547 122.820 0.049 0.000 2.442 1493 A HA 0.481 4.802 4.320 0.002 0.000 0.158 1493 A C 1.329 178.927 177.584 0.022 0.000 1.759 1493 A CA 1.263 53.322 52.037 0.035 0.000 1.304 1493 A CB -0.742 18.278 19.000 0.033 0.000 1.570 1493 A HN 2.250 nan 8.150 nan 0.000 0.440 1494 G N -0.766 108.054 108.800 0.034 0.000 2.347 1494 G HA2 -0.355 3.607 3.960 0.002 0.000 0.247 1494 G HA3 -0.355 3.607 3.960 0.002 0.000 0.247 1494 G C 0.623 175.490 174.900 -0.056 0.000 1.037 1494 G CA 1.194 46.295 45.100 0.001 0.000 0.622 1494 G HN 0.920 nan 8.290 nan 0.000 0.521 1495 E N -1.276 118.906 120.200 -0.030 0.000 4.924 1495 E HA -0.261 4.090 4.350 0.002 0.000 0.229 1495 E C 0.823 177.351 176.600 -0.121 0.000 0.912 1495 E CA 2.300 58.669 56.400 -0.052 0.000 1.857 1495 E CB -1.668 28.013 29.700 -0.032 0.000 1.787 1495 E HN 1.189 nan 8.360 nan 0.000 0.427 1496 T N 1.086 115.534 114.554 -0.176 0.000 2.767 1496 T HA 0.408 4.760 4.350 0.002 0.000 0.284 1496 T C 0.637 175.274 174.700 -0.105 0.000 0.973 1496 T CA -0.205 61.800 62.100 -0.158 0.000 0.996 1496 T CB 0.687 69.429 68.868 -0.209 0.000 0.927 1496 T HN 0.322 nan 8.240 nan 0.000 0.456 1497 c N 3.547 122.096 118.600 -0.085 0.000 2.877 1497 c HA 0.494 5.065 4.570 0.002 0.000 0.302 1497 c C 0.833 174.869 174.090 -0.090 0.000 1.416 1497 c CA -0.087 56.197 56.329 -0.075 0.000 2.113 1497 c CB -0.170 42.301 42.510 -0.064 0.000 2.271 1497 c HN 1.036 nan 8.230 nan 0.000 0.729 1498 S N 0.626 116.265 115.700 -0.101 0.000 2.673 1498 S HA 0.422 4.893 4.470 0.002 0.000 0.256 1498 S C -0.650 173.853 174.600 -0.161 0.000 1.141 1498 S CA -0.460 57.662 58.200 -0.130 0.000 1.109 1498 S CB 0.855 63.978 63.200 -0.129 0.000 1.101 1498 S HN 1.037 nan 8.310 nan 0.000 0.471 1499 S N 3.323 118.925 115.700 -0.163 0.000 2.572 1499 S HA 0.411 4.882 4.470 0.002 0.000 0.279 1499 S C 0.266 174.722 174.600 -0.240 0.000 1.341 1499 S CA -0.798 57.299 58.200 -0.171 0.000 1.043 1499 S CB 0.408 63.525 63.200 -0.139 0.000 0.887 1499 S HN 1.045 nan 8.310 nan 0.000 0.516 1500 L N 3.372 124.460 121.223 -0.225 0.000 2.536 1500 L HA 0.190 4.531 4.340 0.002 0.000 0.282 1500 L C -0.003 176.699 176.870 -0.281 0.000 1.147 1500 L CA -0.207 54.472 54.840 -0.269 0.000 0.936 1500 L CB -1.641 40.291 42.059 -0.212 0.000 1.279 1500 L HN 0.707 nan 8.230 nan 0.000 0.461 1501 N N 4.154 122.571 118.700 -0.473 0.000 2.291 1501 N HA -0.141 4.600 4.740 0.002 0.000 0.281 1501 N C -0.224 175.156 175.510 -0.216 0.000 1.388 1501 N CA 0.393 53.121 53.050 -0.537 0.000 0.920 1501 N CB 0.002 37.724 38.487 -1.274 0.000 1.276 1501 N HN 0.614 nan 8.380 nan 0.000 0.493 1502 H N 2.300 121.251 119.070 -0.198 0.000 2.495 1502 H HA 0.367 4.925 4.556 0.002 0.000 0.350 1502 H C -0.345 174.947 175.328 -0.059 0.000 1.202 1502 H CA -0.232 55.765 56.048 -0.086 0.000 1.322 1502 H CB 1.154 30.884 29.762 -0.052 0.000 1.544 1502 H HN 0.535 nan 8.280 nan 0.000 0.565 1503 Q N 1.951 121.704 119.800 -0.078 0.000 3.100 1503 Q HA 0.006 4.347 4.340 0.002 0.000 0.191 1503 Q C -0.656 175.273 176.000 -0.118 0.000 0.971 1503 Q CA -0.419 55.319 55.803 -0.109 0.000 1.209 1503 Q CB 0.364 29.132 28.738 0.049 0.000 1.803 1503 Q HN 0.742 nan 8.270 nan 0.000 0.586 1504 E N 2.290 122.386 120.200 -0.173 0.000 2.299 1504 E HA 0.113 4.464 4.350 0.002 0.000 0.193 1504 E C 0.131 176.697 176.600 -0.057 0.000 0.998 1504 E CA 0.521 56.861 56.400 -0.099 0.000 0.851 1504 E CB 0.320 29.953 29.700 -0.111 0.000 0.795 1504 E HN 0.317 nan 8.360 nan 0.000 0.492 1505 R N 0.278 120.749 120.500 -0.049 0.000 2.548 1505 R HA 0.516 4.857 4.340 0.002 0.000 0.280 1505 R C -1.757 174.535 176.300 -0.013 0.000 1.061 1505 R CA -0.488 55.589 56.100 -0.039 0.000 0.915 1505 R CB 1.111 31.392 30.300 -0.032 0.000 1.210 1505 R HN 0.089 nan 8.270 nan 0.000 0.442 1506 I N 2.706 123.270 120.570 -0.011 0.000 2.355 1506 I HA 0.263 4.435 4.170 0.002 0.000 0.288 1506 I C -0.262 175.869 176.117 0.023 0.000 0.999 1506 I CA -0.796 60.517 61.300 0.020 0.000 1.163 1506 I CB 1.800 39.817 38.000 0.028 0.000 1.316 1506 I HN 0.495 nan 8.210 nan 0.000 0.454 1507 D N 6.616 127.035 120.400 0.031 0.000 2.398 1507 D HA 0.034 4.676 4.640 0.002 0.000 0.250 1507 D C 1.161 177.485 176.300 0.040 0.000 1.287 1507 D CA 0.156 54.175 54.000 0.032 0.000 0.992 1507 D CB 1.066 41.886 40.800 0.034 0.000 1.071 1507 D HN 0.338 nan 8.370 nan 0.000 0.514 1508 V N 5.751 125.698 119.914 0.056 0.000 2.282 1508 V HA -0.218 3.903 4.120 0.002 0.000 0.249 1508 V C -0.637 175.527 176.094 0.117 0.000 1.057 1508 V CA 1.635 64.000 62.300 0.108 0.000 1.032 1508 V CB -1.357 30.546 31.823 0.133 0.000 0.645 1508 V HN 0.501 nan 8.190 nan 0.000 0.447 1509 P HA -0.128 nan 4.420 nan 0.000 0.215 1509 P C 1.953 179.270 177.300 0.027 0.000 1.157 1509 P CA 1.138 64.262 63.100 0.040 0.000 0.863 1509 P CB -0.082 31.630 31.700 0.020 0.000 0.787 1510 L N -0.021 121.217 121.223 0.025 0.000 1.989 1510 L HA -0.221 4.120 4.340 0.002 0.000 0.211 1510 L C 2.565 179.434 176.870 -0.001 0.000 1.071 1510 L CA 2.027 56.877 54.840 0.017 0.000 0.749 1510 L CB -1.525 40.553 42.059 0.031 0.000 0.890 1510 L HN -0.122 nan 8.230 nan 0.000 0.431 1511 Q N -0.422 119.375 119.800 -0.005 0.000 2.077 1511 Q HA -0.247 4.094 4.340 0.002 0.000 0.206 1511 Q C 2.122 178.087 176.000 -0.059 0.000 0.989 1511 Q CA 2.856 58.599 55.803 -0.100 0.000 0.853 1511 Q CB -0.450 28.155 28.738 -0.221 0.000 0.907 1511 Q HN 0.744 nan 8.270 nan 0.000 0.418 1512 I N -1.239 119.427 120.570 0.160 0.000 2.454 1512 I HA -0.172 4.000 4.170 0.002 0.000 0.254 1512 I C 1.600 177.656 176.117 -0.102 0.000 1.156 1512 I CA 1.594 62.935 61.300 0.069 0.000 1.433 1512 I CB -0.502 37.480 38.000 -0.030 0.000 1.082 1512 I HN 0.154 nan 8.210 nan 0.000 0.432 1513 E N 1.501 121.659 120.200 -0.069 0.000 2.077 1513 E HA -0.192 4.159 4.350 0.002 0.000 0.193 1513 E C 2.018 178.557 176.600 -0.102 0.000 0.989 1513 E CA 1.312 57.668 56.400 -0.074 0.000 0.800 1513 E CB -0.120 29.560 29.700 -0.033 0.000 0.746 1513 E HN 0.598 nan 8.360 nan 0.000 0.452 1514 K N 0.767 121.092 120.400 -0.124 0.000 1.963 1514 K HA -0.119 4.202 4.320 0.002 0.000 0.216 1514 K C 2.299 178.696 176.600 -0.339 0.000 1.045 1514 K CA 1.140 57.355 56.287 -0.120 0.000 0.954 1514 K CB -0.367 32.112 32.500 -0.034 0.000 0.732 1514 K HN 0.031 nan 8.250 nan 0.000 0.442 1515 A N 0.921 123.204 122.820 -0.896 0.000 2.042 1515 A HA -0.217 4.104 4.320 0.002 0.000 0.222 1515 A C 1.917 179.120 177.584 -0.636 0.000 1.167 1515 A CA 1.425 52.612 52.037 -1.417 0.000 0.649 1515 A CB -0.949 17.085 19.000 -1.609 0.000 0.809 1515 A HN 0.529 nan 8.150 nan 0.000 0.457 1516 c N 0.984 119.360 118.600 -0.373 0.000 2.269 1516 c HA 0.332 4.904 4.570 0.002 0.000 0.378 1516 c C 0.546 174.555 174.090 -0.135 0.000 1.319 1516 c CA -0.541 55.655 56.329 -0.221 0.000 1.721 1516 c CB -2.333 40.075 42.510 -0.170 0.000 1.998 1516 c HN 0.495 nan 8.230 nan 0.000 0.582 1517 E N -0.218 119.909 120.200 -0.122 0.000 2.266 1517 E HA 0.188 4.539 4.350 0.002 0.000 0.277 1517 E C 1.355 177.955 176.600 0.000 0.000 1.018 1517 E CA 0.134 56.514 56.400 -0.033 0.000 0.840 1517 E CB 1.201 30.916 29.700 0.025 0.000 1.082 1517 E HN 0.293 nan 8.360 nan 0.000 0.395 1518 T N 2.962 117.520 114.554 0.007 0.000 2.653 1518 T HA -0.262 4.089 4.350 0.002 0.000 0.267 1518 T C 0.662 175.381 174.700 0.032 0.000 1.037 1518 T CA 2.131 64.240 62.100 0.016 0.000 1.159 1518 T CB -0.424 68.453 68.868 0.015 0.000 0.859 1518 T HN 0.622 nan 8.240 nan 0.000 0.449 1519 N N 1.007 119.732 118.700 0.043 0.000 3.228 1519 N HA 0.344 5.086 4.740 0.002 0.000 0.289 1519 N C -1.276 174.295 175.510 0.101 0.000 1.419 1519 N CA -0.311 52.773 53.050 0.058 0.000 1.088 1519 N CB 1.212 39.718 38.487 0.030 0.000 1.357 1519 N HN 0.245 nan 8.380 nan 0.000 0.504 1520 V N 0.894 120.874 119.914 0.110 0.000 2.568 1520 V HA 0.018 4.140 4.120 0.002 0.000 0.276 1520 V C 0.597 176.790 176.094 0.164 0.000 1.002 1520 V CA -0.589 61.808 62.300 0.161 0.000 0.879 1520 V CB 1.380 33.314 31.823 0.185 0.000 1.040 1520 V HN 0.351 nan 8.190 nan 0.000 0.457 1521 D N 3.135 123.689 120.400 0.257 0.000 2.149 1521 D HA -0.091 4.551 4.640 0.002 0.000 0.198 1521 D C 0.376 176.893 176.300 0.362 0.000 0.990 1521 D CA 1.986 56.155 54.000 0.283 0.000 0.839 1521 D CB 0.236 41.210 40.800 0.290 0.000 0.948 1521 D HN 0.749 nan 8.370 nan 0.000 0.460 1522 Y N -3.609 116.757 120.300 0.110 0.000 2.597 1522 Y HA 0.592 5.143 4.550 0.002 0.000 0.340 1522 Y C -1.698 174.229 175.900 0.044 0.000 1.097 1522 Y CA -1.471 56.675 58.100 0.077 0.000 1.037 1522 Y CB 1.312 39.752 38.460 -0.034 0.000 1.305 1522 Y HN -0.333 nan 8.280 nan 0.000 0.463 1523 V N 3.867 123.799 119.914 0.030 0.000 2.509 1523 V HA 0.341 4.462 4.120 0.002 0.000 0.289 1523 V C -1.402 174.908 176.094 0.360 0.000 1.026 1523 V CA -0.703 61.597 62.300 0.001 0.000 0.872 1523 V CB 0.700 32.503 31.823 -0.033 0.000 1.017 1523 V HN 0.685 nan 8.190 nan 0.000 0.436 1524 Y N 2.173 122.567 120.300 0.157 0.000 2.567 1524 Y HA 0.656 5.207 4.550 0.002 0.000 0.333 1524 Y C 0.277 176.262 175.900 0.141 0.000 1.106 1524 Y CA -2.169 56.027 58.100 0.160 0.000 1.157 1524 Y CB 1.519 40.098 38.460 0.199 0.000 1.277 1524 Y HN 0.499 nan 8.280 nan 0.000 0.490 1525 K N 0.208 120.734 120.400 0.211 0.000 2.118 1525 K HA 0.656 4.977 4.320 0.002 0.000 0.254 1525 K C -0.978 175.619 176.600 -0.005 0.000 0.961 1525 K CA -0.326 55.974 56.287 0.022 0.000 0.876 1525 K CB 1.528 33.803 32.500 -0.376 0.000 1.077 1525 K HN 0.792 nan 8.250 nan 0.000 0.440 1526 T N 1.615 116.150 114.554 -0.031 0.000 3.159 1526 T HA 0.190 4.541 4.350 0.002 0.000 0.343 1526 T C -1.856 172.851 174.700 0.011 0.000 1.364 1526 T CA -0.827 61.281 62.100 0.013 0.000 1.102 1526 T CB 1.007 69.945 68.868 0.117 0.000 1.263 1526 T HN 0.631 nan 8.240 nan 0.000 0.477 1527 K N 3.624 124.021 120.400 -0.004 0.000 2.276 1527 K HA 0.475 4.796 4.320 0.002 0.000 0.285 1527 K C -0.341 176.318 176.600 0.099 0.000 1.062 1527 K CA -0.815 55.482 56.287 0.017 0.000 0.918 1527 K CB 0.618 33.118 32.500 0.001 0.000 1.055 1527 K HN 0.522 nan 8.250 nan 0.000 0.477 1528 L N 6.598 127.921 121.223 0.167 0.000 2.363 1528 L HA 0.119 4.461 4.340 0.002 0.000 0.286 1528 L C -0.178 176.781 176.870 0.149 0.000 1.106 1528 L CA 0.018 54.984 54.840 0.211 0.000 0.859 1528 L CB 0.073 42.335 42.059 0.338 0.000 1.223 1528 L HN 0.695 nan 8.230 nan 0.000 0.446 1529 L N 4.069 125.362 121.223 0.118 0.000 1.922 1529 L HA 0.218 4.559 4.340 0.002 0.000 0.224 1529 L C 1.205 178.117 176.870 0.069 0.000 1.109 1529 L CA 0.847 55.737 54.840 0.083 0.000 1.405 1529 L CB -0.622 41.478 42.059 0.068 0.000 1.179 1529 L HN 0.540 nan 8.230 nan 0.000 0.700 1530 R N -0.143 120.387 120.500 0.051 0.000 2.528 1530 R HA 0.560 4.902 4.340 0.002 0.000 0.271 1530 R C -0.860 175.432 176.300 -0.014 0.000 1.056 1530 R CA -0.342 55.769 56.100 0.019 0.000 1.117 1530 R CB 0.624 30.932 30.300 0.012 0.000 1.085 1530 R HN 0.237 nan 8.270 nan 0.000 0.530 1531 I N 1.584 122.110 120.570 -0.074 0.000 2.466 1531 I HA 0.288 4.459 4.170 0.002 0.000 0.289 1531 I C -0.384 175.635 176.117 -0.162 0.000 1.026 1531 I CA -0.476 60.704 61.300 -0.200 0.000 1.078 1531 I CB 1.966 39.776 38.000 -0.316 0.000 1.249 1531 I HN 0.600 nan 8.210 nan 0.000 0.429 1532 E N 3.736 123.842 120.200 -0.158 0.000 2.410 1532 E HA 0.520 4.872 4.350 0.002 0.000 0.269 1532 E C -1.345 175.208 176.600 -0.078 0.000 0.937 1532 E CA -0.925 55.422 56.400 -0.087 0.000 0.793 1532 E CB 2.510 32.186 29.700 -0.041 0.000 1.314 1532 E HN 0.358 nan 8.360 nan 0.000 0.447 1533 E N 1.135 121.309 120.200 -0.044 0.000 2.195 1533 E HA 0.288 4.640 4.350 0.002 0.000 0.271 1533 E C -1.516 175.079 176.600 -0.008 0.000 0.923 1533 E CA -0.419 55.964 56.400 -0.027 0.000 0.790 1533 E CB 1.214 30.899 29.700 -0.023 0.000 1.155 1533 E HN 0.341 nan 8.360 nan 0.000 0.402 1534 Q N 3.240 123.041 119.800 0.002 0.000 2.443 1534 Q HA 0.186 4.527 4.340 0.002 0.000 0.241 1534 Q C -1.447 174.562 176.000 0.015 0.000 0.880 1534 Q CA -0.330 55.478 55.803 0.009 0.000 0.974 1534 Q CB 1.259 30.004 28.738 0.012 0.000 1.482 1534 Q HN 0.753 nan 8.270 nan 0.000 0.448 1535 D N 1.413 121.821 120.400 0.013 0.000 2.981 1535 D HA -0.217 4.425 4.640 0.002 0.000 0.223 1535 D C 0.751 177.062 176.300 0.019 0.000 1.151 1535 D CA 1.537 55.546 54.000 0.016 0.000 0.827 1535 D CB -1.421 39.390 40.800 0.018 0.000 1.101 1535 D HN 1.108 nan 8.370 nan 0.000 0.426 1536 G N -0.717 108.094 108.800 0.017 0.000 2.179 1536 G HA2 -0.340 3.621 3.960 0.002 0.000 0.260 1536 G HA3 -0.340 3.621 3.960 0.002 0.000 0.260 1536 G C 0.064 174.982 174.900 0.029 0.000 0.977 1536 G CA 0.355 45.468 45.100 0.020 0.000 0.641 1536 G HN 0.459 nan 8.290 nan 0.000 0.533 1537 N N 1.743 120.462 118.700 0.033 0.000 2.438 1537 N HA 0.457 5.198 4.740 0.002 0.000 0.282 1537 N C -1.053 174.487 175.510 0.050 0.000 1.037 1537 N CA -0.432 52.648 53.050 0.051 0.000 0.942 1537 N CB 1.229 39.748 38.487 0.053 0.000 1.136 1537 N HN 0.140 nan 8.380 nan 0.000 0.481 1538 D N 1.685 122.135 120.400 0.083 0.000 2.277 1538 D HA 0.253 4.894 4.640 0.002 0.000 0.249 1538 D C 0.219 176.599 176.300 0.132 0.000 1.134 1538 D CA -0.089 53.942 54.000 0.051 0.000 0.863 1538 D CB 1.218 42.054 40.800 0.061 0.000 1.143 1538 D HN 0.351 nan 8.370 nan 0.000 0.458 1539 I N 2.687 123.278 120.570 0.034 0.000 2.304 1539 I HA 0.127 4.299 4.170 0.002 0.000 0.291 1539 I C -0.283 175.866 176.117 0.052 0.000 1.018 1539 I CA -0.608 60.757 61.300 0.108 0.000 1.260 1539 I CB 0.406 38.440 38.000 0.057 0.000 1.390 1539 I HN 0.183 nan 8.210 nan 0.000 0.475 1540 Y N 5.618 125.968 120.300 0.084 0.000 2.518 1540 Y HA 0.397 4.949 4.550 0.002 0.000 0.344 1540 Y C 0.139 176.117 175.900 0.129 0.000 0.982 1540 Y CA -1.010 57.141 58.100 0.085 0.000 1.234 1540 Y CB 0.803 39.300 38.460 0.063 0.000 1.114 1540 Y HN 0.261 nan 8.280 nan 0.000 0.515 1541 V N 5.622 125.647 119.914 0.185 0.000 2.555 1541 V HA 0.186 4.307 4.120 0.002 0.000 0.286 1541 V C 0.256 176.466 176.094 0.194 0.000 1.044 1541 V CA -0.066 62.336 62.300 0.171 0.000 1.026 1541 V CB 0.618 32.502 31.823 0.101 0.000 0.981 1541 V HN 0.723 nan 8.190 nan 0.000 0.480 1542 M N 3.914 123.649 119.600 0.224 0.000 2.446 1542 M HA 0.453 4.935 4.480 0.002 0.000 0.294 1542 M C -1.181 175.209 176.300 0.151 0.000 1.158 1542 M CA -0.472 54.957 55.300 0.214 0.000 0.899 1542 M CB 2.343 35.130 32.600 0.312 0.000 1.687 1542 M HN 0.620 nan 8.290 nan 0.000 0.455 1543 D N 1.843 122.295 120.400 0.086 0.000 2.362 1543 D HA 0.451 5.092 4.640 0.002 0.000 0.247 1543 D C -1.194 175.088 176.300 -0.029 0.000 1.050 1543 D CA -0.379 53.628 54.000 0.012 0.000 0.839 1543 D CB 2.588 43.387 40.800 -0.001 0.000 1.283 1543 D HN 0.284 nan 8.370 nan 0.000 0.477 1544 V N 4.995 124.834 119.914 -0.126 0.000 2.470 1544 V HA 0.014 4.135 4.120 0.002 0.000 0.276 1544 V C 1.233 177.236 176.094 -0.152 0.000 1.040 1544 V CA -0.168 62.035 62.300 -0.161 0.000 1.008 1544 V CB 1.141 32.736 31.823 -0.379 0.000 0.990 1544 V HN 0.530 nan 8.190 nan 0.000 0.477 1545 L N 4.206 125.351 121.223 -0.131 0.000 2.115 1545 L HA 0.290 4.632 4.340 0.002 0.000 0.200 1545 L C 1.032 177.813 176.870 -0.148 0.000 1.094 1545 L CA 1.391 56.144 54.840 -0.146 0.000 0.769 1545 L CB -0.203 41.741 42.059 -0.193 0.000 0.931 1545 L HN 0.652 nan 8.230 nan 0.000 0.455 1546 E N -1.426 118.686 120.200 -0.146 0.000 2.312 1546 E HA 0.468 4.819 4.350 0.002 0.000 0.267 1546 E C -1.443 175.107 176.600 -0.083 0.000 0.894 1546 E CA -0.684 55.651 56.400 -0.108 0.000 0.773 1546 E CB 2.870 32.526 29.700 -0.074 0.000 1.241 1546 E HN -0.247 nan 8.360 nan 0.000 0.432 1547 V N 4.294 124.154 119.914 -0.091 0.000 2.333 1547 V HA 0.105 4.226 4.120 0.002 0.000 0.274 1547 V C 0.687 176.796 176.094 0.025 0.000 1.028 1547 V CA -0.303 61.963 62.300 -0.056 0.000 0.851 1547 V CB 0.516 32.273 31.823 -0.110 0.000 1.000 1547 V HN 0.673 nan 8.190 nan 0.000 0.456 1548 I N 3.037 123.668 120.570 0.103 0.000 2.315 1548 I HA 0.139 4.310 4.170 0.002 0.000 0.233 1548 I C 1.246 177.354 176.117 -0.016 0.000 1.067 1548 I CA 0.917 62.229 61.300 0.021 0.000 1.376 1548 I CB -0.346 37.666 38.000 0.021 0.000 1.143 1548 I HN 0.507 nan 8.210 nan 0.000 0.421 1549 K N 1.963 122.380 120.400 0.028 0.000 2.253 1549 K HA 0.146 4.467 4.320 0.002 0.000 0.277 1549 K C -0.077 176.616 176.600 0.154 0.000 1.053 1549 K CA -0.388 55.912 56.287 0.021 0.000 0.892 1549 K CB 0.719 33.194 32.500 -0.041 0.000 1.102 1549 K HN 0.056 nan 8.250 nan 0.000 0.469 1550 Q N 3.130 122.996 119.800 0.109 0.000 2.271 1550 Q HA 0.184 4.525 4.340 0.002 0.000 0.273 1550 Q C -0.050 176.075 176.000 0.207 0.000 1.051 1550 Q CA 0.080 55.970 55.803 0.145 0.000 0.901 1550 Q CB 1.041 29.817 28.738 0.064 0.000 1.174 1550 Q HN 0.721 nan 8.270 nan 0.000 0.385 1551 G N 2.076 111.066 108.800 0.317 0.000 2.535 1551 G HA2 0.162 4.123 3.960 0.002 0.000 0.282 1551 G HA3 0.162 4.123 3.960 0.002 0.000 0.282 1551 G C 0.211 175.225 174.900 0.190 0.000 1.350 1551 G CA -0.084 45.208 45.100 0.320 0.000 1.039 1551 G HN 0.723 nan 8.290 nan 0.000 0.509 1552 T N 0.314 114.962 114.554 0.158 0.000 3.023 1552 T HA 0.019 4.370 4.350 0.002 0.000 0.266 1552 T C 0.392 175.148 174.700 0.094 0.000 1.093 1552 T CA 0.496 62.655 62.100 0.099 0.000 1.129 1552 T CB -0.145 68.763 68.868 0.068 0.000 0.899 1552 T HN 0.371 nan 8.240 nan 0.000 0.491 1553 D N 2.777 123.257 120.400 0.134 0.000 2.376 1553 D HA 0.047 4.688 4.640 0.002 0.000 0.278 1553 D C 0.916 177.272 176.300 0.093 0.000 1.384 1553 D CA 0.167 54.244 54.000 0.129 0.000 1.033 1553 D CB 0.619 41.550 40.800 0.219 0.000 1.102 1553 D HN 0.349 nan 8.370 nan 0.000 0.530 1554 E N 1.169 121.405 120.200 0.060 0.000 2.284 1554 E HA -0.172 4.179 4.350 0.002 0.000 0.200 1554 E C 0.562 177.176 176.600 0.023 0.000 1.008 1554 E CA 0.923 57.345 56.400 0.037 0.000 0.829 1554 E CB 0.051 29.766 29.700 0.025 0.000 0.744 1554 E HN 0.271 nan 8.360 nan 0.000 0.491 1555 N N -1.614 117.103 118.700 0.028 0.000 3.049 1555 N HA 0.056 4.797 4.740 0.002 0.000 0.241 1555 N C -2.603 172.906 175.510 -0.002 0.000 1.323 1555 N CA -0.885 52.162 53.050 -0.005 0.000 0.824 1555 N CB 1.111 39.592 38.487 -0.009 0.000 1.557 1555 N HN -0.239 nan 8.380 nan 0.000 0.612 1556 P HA -0.025 nan 4.420 nan 0.000 0.212 1556 P C 1.077 178.259 177.300 -0.198 0.000 1.179 1556 P CA 1.170 64.192 63.100 -0.131 0.000 0.898 1556 P CB 0.166 31.566 31.700 -0.501 0.000 0.775 1557 R N 0.074 120.431 120.500 -0.237 0.000 2.332 1557 R HA -0.069 4.272 4.340 0.002 0.000 0.239 1557 R C 1.737 177.981 176.300 -0.094 0.000 1.160 1557 R CA 1.164 57.159 56.100 -0.175 0.000 1.020 1557 R CB -1.388 28.821 30.300 -0.152 0.000 0.859 1557 R HN 0.124 nan 8.270 nan 0.000 0.478 1558 A N 2.438 125.221 122.820 -0.061 0.000 1.889 1558 A HA -0.018 4.303 4.320 0.002 0.000 0.209 1558 A C 0.479 178.065 177.584 0.004 0.000 1.315 1558 A CA 0.705 52.730 52.037 -0.020 0.000 0.611 1558 A CB -0.068 18.930 19.000 -0.003 0.000 0.950 1558 A HN 0.070 nan 8.150 nan 0.000 0.477 1559 K N 2.478 122.903 120.400 0.041 0.000 2.292 1559 K HA 0.215 4.536 4.320 0.002 0.000 0.290 1559 K C 0.194 176.874 176.600 0.134 0.000 1.083 1559 K CA 0.308 56.638 56.287 0.070 0.000 0.918 1559 K CB -0.286 32.255 32.500 0.070 0.000 1.089 1559 K HN 0.708 nan 8.250 nan 0.000 0.473 1560 T N 0.955 115.568 114.554 0.099 0.000 2.848 1560 T HA -0.068 4.283 4.350 0.002 0.000 0.340 1560 T C 0.289 175.168 174.700 0.300 0.000 1.091 1560 T CA 0.260 62.436 62.100 0.125 0.000 1.123 1560 T CB 0.242 69.160 68.868 0.083 0.000 1.042 1560 T HN 0.425 nan 8.240 nan 0.000 0.544 1561 H N 0.551 119.657 119.070 0.059 0.000 2.533 1561 H HA 0.541 5.098 4.556 0.002 0.000 0.343 1561 H C -0.043 175.305 175.328 0.034 0.000 1.160 1561 H CA -0.848 55.216 56.048 0.026 0.000 1.218 1561 H CB 1.310 31.103 29.762 0.052 0.000 1.566 1561 H HN 0.668 nan 8.280 nan 0.000 0.522 1562 Q N 1.749 121.557 119.800 0.013 0.000 2.325 1562 Q HA 0.283 4.624 4.340 0.002 0.000 0.270 1562 Q C -1.182 174.757 176.000 -0.102 0.000 1.020 1562 Q CA -0.617 55.206 55.803 0.033 0.000 0.785 1562 Q CB 1.587 30.341 28.738 0.027 0.000 1.259 1562 Q HN 0.558 nan 8.270 nan 0.000 0.452 1563 Y N 3.223 123.604 120.300 0.135 0.000 2.491 1563 Y HA 0.369 4.920 4.550 0.002 0.000 0.334 1563 Y C -0.130 175.862 175.900 0.152 0.000 0.969 1563 Y CA -0.405 57.763 58.100 0.112 0.000 1.241 1563 Y CB 0.678 39.167 38.460 0.048 0.000 1.105 1563 Y HN 0.443 nan 8.280 nan 0.000 0.503 1564 I N 2.253 122.953 120.570 0.216 0.000 2.440 1564 I HA 0.462 4.633 4.170 0.002 0.000 0.294 1564 I C 0.299 176.514 176.117 0.162 0.000 0.995 1564 I CA -0.340 61.080 61.300 0.201 0.000 1.306 1564 I CB 1.625 39.697 38.000 0.120 0.000 1.407 1564 I HN 0.437 nan 8.210 nan 0.000 0.501 1565 S N 3.838 119.646 115.700 0.179 0.000 2.638 1565 S HA 0.377 4.848 4.470 0.002 0.000 0.274 1565 S C -1.256 173.413 174.600 0.115 0.000 1.157 1565 S CA -0.842 57.420 58.200 0.103 0.000 0.826 1565 S CB 1.755 64.967 63.200 0.019 0.000 1.139 1565 S HN 0.608 nan 8.310 nan 0.000 0.474 1566 Q N 1.319 121.161 119.800 0.070 0.000 2.340 1566 Q HA 0.356 4.697 4.340 0.002 0.000 0.249 1566 Q C 0.816 176.856 176.000 0.066 0.000 0.957 1566 Q CA -0.661 55.178 55.803 0.060 0.000 0.882 1566 Q CB 0.494 29.254 28.738 0.037 0.000 1.235 1566 Q HN 0.614 nan 8.270 nan 0.000 0.439 1567 R N 2.827 123.360 120.500 0.056 0.000 2.153 1567 R HA -0.261 4.081 4.340 0.002 0.000 0.252 1567 R C 1.775 178.099 176.300 0.039 0.000 1.158 1567 R CA 2.217 58.346 56.100 0.048 0.000 0.975 1567 R CB -0.360 29.958 30.300 0.030 0.000 0.871 1567 R HN 0.817 nan 8.270 nan 0.000 0.450 1568 K N -0.829 119.588 120.400 0.027 0.000 2.218 1568 K HA -0.156 4.166 4.320 0.002 0.000 0.205 1568 K C 1.045 177.650 176.600 0.008 0.000 1.046 1568 K CA 1.680 57.975 56.287 0.014 0.000 0.933 1568 K CB -0.260 32.245 32.500 0.008 0.000 0.728 1568 K HN 0.347 nan 8.250 nan 0.000 0.454 1569 c N 0.739 119.349 118.600 0.016 0.000 2.697 1569 c HA 0.097 4.668 4.570 0.002 0.000 0.267 1569 c C 2.054 176.152 174.090 0.012 0.000 1.278 1569 c CA -0.435 55.892 56.329 -0.003 0.000 1.708 1569 c CB -0.388 42.108 42.510 -0.024 0.000 1.860 1569 c HN 0.596 nan 8.230 nan 0.000 0.589 1570 Q N 2.601 122.431 119.800 0.049 0.000 1.928 1570 Q HA -0.284 4.057 4.340 0.002 0.000 0.223 1570 Q C 2.204 178.230 176.000 0.043 0.000 1.042 1570 Q CA 2.828 58.676 55.803 0.075 0.000 0.892 1570 Q CB -0.336 28.433 28.738 0.052 0.000 1.001 1570 Q HN 0.673 nan 8.270 nan 0.000 0.419 1571 E N -0.611 119.600 120.200 0.018 0.000 2.418 1571 E HA -0.067 4.284 4.350 0.002 0.000 0.197 1571 E C 1.190 177.781 176.600 -0.015 0.000 1.026 1571 E CA 1.141 57.544 56.400 0.006 0.000 0.862 1571 E CB -0.098 29.604 29.700 0.003 0.000 0.799 1571 E HN 0.435 nan 8.360 nan 0.000 0.518 1572 A N 0.691 123.493 122.820 -0.030 0.000 2.147 1572 A HA 0.226 4.548 4.320 0.002 0.000 0.211 1572 A C 2.230 179.762 177.584 -0.087 0.000 1.160 1572 A CA -0.078 51.925 52.037 -0.055 0.000 0.781 1572 A CB -0.112 18.852 19.000 -0.060 0.000 0.842 1572 A HN 0.234 nan 8.150 nan 0.000 0.475 1573 L N -1.325 119.845 121.223 -0.088 0.000 2.102 1573 L HA -0.033 4.309 4.340 0.002 0.000 0.202 1573 L C 1.028 177.832 176.870 -0.110 0.000 1.076 1573 L CA 0.936 55.688 54.840 -0.146 0.000 0.761 1573 L CB -0.432 41.506 42.059 -0.201 0.000 0.921 1573 L HN 0.520 nan 8.230 nan 0.000 0.444 1574 N N 0.584 119.267 118.700 -0.029 0.000 2.727 1574 N HA -0.189 4.552 4.740 0.002 0.000 0.249 1574 N C -0.304 175.219 175.510 0.022 0.000 1.048 1574 N CA 0.254 53.309 53.050 0.008 0.000 0.714 1574 N CB -1.035 37.447 38.487 -0.008 0.000 0.959 1574 N HN 0.029 nan 8.380 nan 0.000 0.544 1575 L N -0.369 120.871 121.223 0.029 0.000 2.473 1575 L HA 0.192 4.534 4.340 0.002 0.000 0.268 1575 L C 0.939 177.910 176.870 0.169 0.000 1.215 1575 L CA 0.835 55.690 54.840 0.024 0.000 0.823 1575 L CB 0.555 42.634 42.059 0.033 0.000 1.099 1575 L HN 0.359 nan 8.230 nan 0.000 0.483 1576 K N 0.646 121.214 120.400 0.280 0.000 2.468 1576 K HA 0.429 4.751 4.320 0.002 0.000 0.252 1576 K C -1.074 175.651 176.600 0.209 0.000 0.932 1576 K CA -0.678 55.733 56.287 0.206 0.000 0.794 1576 K CB 2.058 34.653 32.500 0.157 0.000 1.241 1576 K HN 0.249 nan 8.250 nan 0.000 0.428 1577 V N 4.564 124.557 119.914 0.133 0.000 2.901 1577 V HA -0.086 4.036 4.120 0.002 0.000 0.307 1577 V C 1.022 177.186 176.094 0.116 0.000 1.084 1577 V CA 0.472 62.841 62.300 0.115 0.000 1.184 1577 V CB 0.528 32.393 31.823 0.070 0.000 0.941 1577 V HN 1.112 nan 8.190 nan 0.000 0.493 1578 N N 0.918 119.687 118.700 0.114 0.000 2.815 1578 N HA -0.161 4.580 4.740 0.002 0.000 0.247 1578 N C 0.207 175.790 175.510 0.123 0.000 1.030 1578 N CA 1.281 54.404 53.050 0.121 0.000 0.881 1578 N CB -0.417 38.141 38.487 0.118 0.000 1.134 1578 N HN 0.820 nan 8.380 nan 0.000 0.582 1579 D N 0.658 121.064 120.400 0.010 0.000 2.423 1579 D HA 0.323 4.965 4.640 0.002 0.000 0.255 1579 D C 0.072 176.100 176.300 -0.452 0.000 1.174 1579 D CA 0.195 54.007 54.000 -0.313 0.000 1.008 1579 D CB 0.619 41.212 40.800 -0.344 0.000 1.101 1579 D HN -0.018 nan 8.370 nan 0.000 0.516 1580 D N -0.578 119.367 120.400 -0.759 0.000 2.252 1580 D HA 0.436 5.077 4.640 0.002 0.000 0.245 1580 D C -0.839 175.033 176.300 -0.714 0.000 1.009 1580 D CA -0.202 53.467 54.000 -0.552 0.000 0.870 1580 D CB 1.019 41.543 40.800 -0.460 0.000 1.251 1580 D HN 0.218 nan 8.370 nan 0.000 0.460 1581 Y N -0.127 120.181 120.300 0.013 0.000 2.513 1581 Y HA 0.311 4.862 4.550 0.002 0.000 0.340 1581 Y C -0.430 175.561 175.900 0.151 0.000 1.055 1581 Y CA -1.240 56.921 58.100 0.103 0.000 1.020 1581 Y CB 1.713 40.182 38.460 0.015 0.000 1.301 1581 Y HN 0.188 nan 8.280 nan 0.000 0.453 1582 L N 5.295 126.764 121.223 0.410 0.000 2.283 1582 L HA 0.628 4.969 4.340 0.002 0.000 0.287 1582 L C -1.250 175.801 176.870 0.302 0.000 1.073 1582 L CA 0.112 55.175 54.840 0.372 0.000 0.822 1582 L CB -0.323 41.899 42.059 0.271 0.000 1.186 1582 L HN 0.494 nan 8.230 nan 0.000 0.436 1583 I N 4.724 125.419 120.570 0.208 0.000 2.404 1583 I HA 0.490 4.661 4.170 0.002 0.000 0.293 1583 I C -1.204 174.918 176.117 0.009 0.000 0.992 1583 I CA -0.596 60.739 61.300 0.058 0.000 1.149 1583 I CB 1.339 39.239 38.000 -0.166 0.000 1.315 1583 I HN 0.819 nan 8.210 nan 0.000 0.446 1584 W N 5.930 127.092 121.300 -0.229 0.000 3.132 1584 W HA 0.834 5.495 4.660 0.002 0.000 0.337 1584 W C -0.896 175.395 176.519 -0.379 0.000 1.082 1584 W CA -0.844 56.200 57.345 -0.501 0.000 1.242 1584 W CB 0.922 30.171 29.460 -0.352 0.000 1.354 1584 W HN 0.712 nan 8.180 nan 0.000 0.461 1585 G N 1.324 109.882 108.800 -0.404 0.000 2.782 1585 G HA2 0.585 4.546 3.960 0.002 0.000 0.304 1585 G HA3 0.585 4.546 3.960 0.002 0.000 0.304 1585 G C -1.637 173.441 174.900 0.296 0.000 1.315 1585 G CA -0.785 44.315 45.100 0.000 0.000 0.791 1585 G HN 0.649 nan 8.290 nan 0.000 0.519 1586 S N -1.529 114.399 115.700 0.380 0.000 2.532 1586 S HA 0.480 4.951 4.470 0.002 0.000 0.301 1586 S C 1.228 175.987 174.600 0.264 0.000 1.083 1586 S CA -0.489 57.907 58.200 0.328 0.000 1.025 1586 S CB 1.901 65.203 63.200 0.171 0.000 1.056 1586 S HN 0.647 nan 8.310 nan 0.000 0.494 1587 R N 2.294 122.895 120.500 0.168 0.000 2.127 1587 R HA -0.009 4.332 4.340 0.002 0.000 0.238 1587 R C 1.959 178.183 176.300 -0.127 0.000 1.134 1587 R CA 2.228 58.302 56.100 -0.044 0.000 0.975 1587 R CB -1.021 29.280 30.300 0.002 0.000 0.865 1587 R HN 0.615 nan 8.270 nan 0.000 0.447 1588 S N 0.672 116.363 115.700 -0.014 0.000 2.440 1588 S HA -0.123 4.348 4.470 0.002 0.000 0.240 1588 S C 0.318 174.892 174.600 -0.043 0.000 1.014 1588 S CA 1.539 59.740 58.200 0.002 0.000 0.980 1588 S CB -0.188 63.070 63.200 0.097 0.000 0.775 1588 S HN 0.425 nan 8.310 nan 0.000 0.499 1589 D N 0.653 121.006 120.400 -0.078 0.000 2.491 1589 D HA 0.277 4.918 4.640 0.002 0.000 0.228 1589 D C 0.172 176.298 176.300 -0.291 0.000 1.183 1589 D CA -0.088 53.862 54.000 -0.083 0.000 0.827 1589 D CB -0.068 40.765 40.800 0.056 0.000 0.989 1589 D HN 0.325 nan 8.370 nan 0.000 0.494 1590 L N 0.482 121.409 121.223 -0.492 0.000 2.476 1590 L HA 0.359 4.701 4.340 0.002 0.000 0.255 1590 L C -0.286 176.412 176.870 -0.286 0.000 1.218 1590 L CA -0.308 54.151 54.840 -0.635 0.000 0.819 1590 L CB 1.056 42.757 42.059 -0.598 0.000 1.119 1590 L HN -0.020 nan 8.230 nan 0.000 0.485 1591 L N 2.636 123.731 121.223 -0.214 0.000 2.661 1591 L HA 0.382 4.724 4.340 0.002 0.000 0.263 1591 L C -2.469 174.348 176.870 -0.090 0.000 0.956 1591 L CA -1.466 53.305 54.840 -0.114 0.000 0.918 1591 L CB 2.186 44.203 42.059 -0.070 0.000 1.280 1591 L HN 0.363 nan 8.230 nan 0.000 0.416 1592 P HA 0.022 nan 4.420 nan 0.000 0.257 1592 P C -0.378 176.900 177.300 -0.036 0.000 1.269 1592 P CA 0.671 63.739 63.100 -0.055 0.000 1.122 1592 P CB 0.240 31.914 31.700 -0.044 0.000 1.285 1593 T N 2.308 116.842 114.554 -0.035 0.000 2.918 1593 T HA 0.249 4.600 4.350 0.002 0.000 0.283 1593 T C 0.359 175.050 174.700 -0.015 0.000 1.001 1593 T CA -0.860 61.228 62.100 -0.020 0.000 1.041 1593 T CB 0.496 69.353 68.868 -0.018 0.000 1.028 1593 T HN -0.060 nan 8.240 nan 0.000 0.511 1594 K N 3.026 123.422 120.400 -0.007 0.000 2.034 1594 K HA 0.064 4.385 4.320 0.002 0.000 0.225 1594 K C -0.408 176.192 176.600 -0.001 0.000 1.190 1594 K CA 0.304 56.590 56.287 -0.003 0.000 1.152 1594 K CB -1.079 31.421 32.500 0.000 0.000 1.300 1594 K HN 0.608 nan 8.250 nan 0.000 0.268 1595 D N 2.465 122.863 120.400 -0.004 0.000 2.760 1595 D HA -0.203 4.439 4.640 0.002 0.000 0.244 1595 D C -0.399 175.905 176.300 0.007 0.000 1.123 1595 D CA 1.333 55.333 54.000 0.001 0.000 0.719 1595 D CB -0.717 40.086 40.800 0.004 0.000 1.045 1595 D HN 0.850 nan 8.370 nan 0.000 0.426 1596 K N -0.101 120.301 120.400 0.003 0.000 2.652 1596 K HA 0.192 4.513 4.320 0.002 0.000 0.169 1596 K C 0.619 177.215 176.600 -0.008 0.000 1.238 1596 K CA -0.551 55.745 56.287 0.014 0.000 1.147 1596 K CB 0.066 32.579 32.500 0.022 0.000 0.985 1596 K HN 0.222 nan 8.250 nan 0.000 0.508 1597 I N 2.760 123.306 120.570 -0.039 0.000 6.248 1597 I HA -0.274 3.897 4.170 0.002 0.000 0.126 1597 I C -1.445 174.590 176.117 -0.137 0.000 1.387 1597 I CA 1.119 62.359 61.300 -0.100 0.000 2.521 1597 I CB -0.075 37.816 38.000 -0.181 0.000 2.602 1597 I HN 0.589 nan 8.210 nan 0.000 0.294 1598 S N 6.900 122.557 115.700 -0.071 0.000 2.541 1598 S HA 0.832 5.303 4.470 0.002 0.000 0.280 1598 S C -0.978 173.665 174.600 0.071 0.000 1.112 1598 S CA -0.933 57.228 58.200 -0.065 0.000 0.925 1598 S CB 1.945 65.118 63.200 -0.046 0.000 1.067 1598 S HN 0.524 nan 8.310 nan 0.000 0.479 1599 Y N 1.203 121.240 120.300 -0.439 0.000 2.650 1599 Y HA 0.702 5.254 4.550 0.002 0.000 0.331 1599 Y C 0.312 176.146 175.900 -0.109 0.000 1.082 1599 Y CA -2.190 55.747 58.100 -0.273 0.000 1.171 1599 Y CB 0.895 39.189 38.460 -0.278 0.000 1.326 1599 Y HN 0.804 nan 8.280 nan 0.000 0.513 1600 I N 0.055 120.728 120.570 0.173 0.000 2.465 1600 I HA 0.496 4.668 4.170 0.002 0.000 0.291 1600 I C -1.159 175.062 176.117 0.174 0.000 1.014 1600 I CA -1.072 60.315 61.300 0.145 0.000 1.093 1600 I CB 1.670 39.717 38.000 0.078 0.000 1.267 1600 I HN 0.229 nan 8.210 nan 0.000 0.431 1601 I N 5.784 126.439 120.570 0.141 0.000 2.471 1601 I HA 0.116 4.288 4.170 0.002 0.000 0.294 1601 I C 1.149 177.278 176.117 0.020 0.000 1.123 1601 I CA 0.747 62.091 61.300 0.072 0.000 1.336 1601 I CB 0.169 38.141 38.000 -0.046 0.000 1.430 1601 I HN 0.777 nan 8.210 nan 0.000 0.533 1602 T N 2.258 116.832 114.554 0.033 0.000 2.923 1602 T HA 0.387 4.739 4.350 0.002 0.000 0.281 1602 T C 0.971 175.654 174.700 -0.027 0.000 0.995 1602 T CA -0.944 61.163 62.100 0.011 0.000 0.985 1602 T CB 1.090 69.982 68.868 0.041 0.000 1.114 1602 T HN 0.642 nan 8.240 nan 0.000 0.548 1603 K N 0.308 120.689 120.400 -0.032 0.000 2.616 1603 K HA -0.054 4.267 4.320 0.002 0.000 0.192 1603 K C 1.165 177.742 176.600 -0.039 0.000 1.031 1603 K CA 1.352 57.607 56.287 -0.053 0.000 1.004 1603 K CB -0.491 31.977 32.500 -0.054 0.000 0.810 1603 K HN 0.656 nan 8.250 nan 0.000 0.497 1604 N N 0.217 118.904 118.700 -0.021 0.000 2.445 1604 N HA -0.034 4.708 4.740 0.002 0.000 0.204 1604 N C -0.392 175.099 175.510 -0.032 0.000 1.098 1604 N CA 0.017 53.062 53.050 -0.008 0.000 0.859 1604 N CB 0.805 39.300 38.487 0.013 0.000 1.249 1604 N HN -0.066 nan 8.380 nan 0.000 0.462 1605 T N 1.506 116.046 114.554 -0.023 0.000 2.752 1605 T HA 0.047 4.399 4.350 0.002 0.000 0.295 1605 T C -1.278 173.339 174.700 -0.138 0.000 0.923 1605 T CA -0.291 61.783 62.100 -0.043 0.000 1.112 1605 T CB -0.049 68.862 68.868 0.070 0.000 0.884 1605 T HN 0.254 nan 8.240 nan 0.000 0.525 1606 W N 7.328 128.286 121.300 -0.570 0.000 2.376 1606 W HA 0.546 5.208 4.660 0.002 0.000 0.312 1606 W C -1.849 174.351 176.519 -0.532 0.000 1.060 1606 W CA -1.919 55.014 57.345 -0.687 0.000 1.221 1606 W CB -0.041 28.660 29.460 -1.266 0.000 1.281 1606 W HN 0.350 nan 8.180 nan 0.000 0.456 1607 I N 3.997 124.409 120.570 -0.264 0.000 2.648 1607 I HA 0.536 4.708 4.170 0.002 0.000 0.304 1607 I C -0.283 175.760 176.117 -0.124 0.000 1.009 1607 I CA -1.131 60.086 61.300 -0.138 0.000 1.114 1607 I CB 1.810 39.630 38.000 -0.301 0.000 1.293 1607 I HN 0.458 nan 8.210 nan 0.000 0.449 1608 E N 1.585 121.877 120.200 0.154 0.000 2.372 1608 E HA 0.522 4.873 4.350 0.002 0.000 0.279 1608 E C -1.247 175.594 176.600 0.402 0.000 0.946 1608 E CA -1.097 55.441 56.400 0.229 0.000 0.769 1608 E CB 1.948 31.872 29.700 0.374 0.000 1.230 1608 E HN 0.474 nan 8.360 nan 0.000 0.442 1609 R N 2.718 123.409 120.500 0.317 0.000 2.267 1609 R HA 0.161 4.503 4.340 0.002 0.000 0.319 1609 R C -1.489 174.969 176.300 0.263 0.000 1.067 1609 R CA -0.183 56.021 56.100 0.173 0.000 0.936 1609 R CB 0.429 30.736 30.300 0.012 0.000 1.006 1609 R HN 0.400 nan 8.270 nan 0.000 0.452 1610 W N 9.322 130.617 121.300 -0.008 0.000 2.296 1610 W HA 0.404 5.065 4.660 0.002 0.000 0.316 1610 W C -2.541 173.919 176.519 -0.098 0.000 1.022 1610 W CA -3.286 54.239 57.345 0.301 0.000 1.324 1610 W CB 1.363 30.937 29.460 0.190 0.000 1.227 1610 W HN 0.580 nan 8.180 nan 0.000 0.409 1611 P HA -0.131 nan 4.420 nan 0.000 0.260 1611 P C 0.198 177.515 177.300 0.027 0.000 1.185 1611 P CA 0.812 63.801 63.100 -0.185 0.000 0.763 1611 P CB 0.252 31.752 31.700 -0.333 0.000 0.776 1612 H N 2.445 121.468 119.070 -0.079 0.000 3.092 1612 H HA -0.074 4.483 4.556 0.002 0.000 0.332 1612 H C 1.598 176.941 175.328 0.026 0.000 1.029 1612 H CA 0.704 56.735 56.048 -0.028 0.000 1.376 1612 H CB 0.426 30.165 29.762 -0.038 0.000 1.329 1612 H HN 0.594 nan 8.280 nan 0.000 0.598 1613 E N 2.552 122.879 120.200 0.212 0.000 2.068 1613 E HA -0.251 4.101 4.350 0.002 0.000 0.207 1613 E C 1.104 177.768 176.600 0.107 0.000 1.032 1613 E CA 1.889 58.370 56.400 0.136 0.000 0.839 1613 E CB 0.222 29.974 29.700 0.087 0.000 0.758 1613 E HN 0.686 nan 8.360 nan 0.000 0.457 1614 D N 0.244 120.688 120.400 0.073 0.000 2.087 1614 D HA -0.207 4.434 4.640 0.002 0.000 0.192 1614 D C 1.796 178.163 176.300 0.112 0.000 0.993 1614 D CA 1.154 55.192 54.000 0.062 0.000 0.828 1614 D CB -0.559 40.249 40.800 0.014 0.000 0.968 1614 D HN 0.327 nan 8.370 nan 0.000 0.448 1615 E N 0.143 120.437 120.200 0.158 0.000 2.253 1615 E HA -0.209 4.142 4.350 0.002 0.000 0.202 1615 E C 2.260 179.021 176.600 0.268 0.000 1.014 1615 E CA 0.715 57.264 56.400 0.249 0.000 0.823 1615 E CB -0.237 29.604 29.700 0.234 0.000 0.736 1615 E HN 0.304 nan 8.360 nan 0.000 0.478 1616 c N 1.226 119.932 118.600 0.177 0.000 2.398 1616 c HA -0.167 4.404 4.570 0.002 0.000 0.279 1616 c C 2.229 176.398 174.090 0.132 0.000 1.250 1616 c CA 0.709 57.131 56.329 0.155 0.000 1.786 1616 c CB -0.825 41.756 42.510 0.119 0.000 2.018 1616 c HN 0.476 nan 8.230 nan 0.000 0.494 1617 Q N 1.007 120.874 119.800 0.111 0.000 2.541 1617 Q HA 0.056 4.397 4.340 0.002 0.000 0.215 1617 Q C 0.567 176.604 176.000 0.061 0.000 0.977 1617 Q CA 0.768 56.614 55.803 0.073 0.000 0.934 1617 Q CB -0.262 28.509 28.738 0.056 0.000 0.988 1617 Q HN 0.755 nan 8.270 nan 0.000 0.521 1618 E N 0.514 120.766 120.200 0.087 0.000 2.250 1618 E HA 0.122 4.473 4.350 0.002 0.000 0.269 1618 E C 0.267 176.852 176.600 -0.025 0.000 1.018 1618 E CA -0.328 56.083 56.400 0.017 0.000 0.873 1618 E CB 0.990 30.678 29.700 -0.020 0.000 1.134 1618 E HN 0.052 nan 8.360 nan 0.000 0.403 1619 E N 1.091 121.242 120.200 -0.082 0.000 2.208 1619 E HA -0.187 4.165 4.350 0.002 0.000 0.193 1619 E C 1.526 178.035 176.600 -0.153 0.000 0.988 1619 E CA 0.703 57.049 56.400 -0.089 0.000 0.828 1619 E CB 0.238 29.888 29.700 -0.083 0.000 0.763 1619 E HN 0.513 nan 8.360 nan 0.000 0.478 1620 E N -1.315 118.691 120.200 -0.323 0.000 2.418 1620 E HA -0.115 4.236 4.350 0.002 0.000 0.197 1620 E C 0.672 177.011 176.600 -0.435 0.000 1.026 1620 E CA 0.734 56.799 56.400 -0.559 0.000 0.862 1620 E CB 0.211 29.287 29.700 -1.039 0.000 0.799 1620 E HN 0.353 nan 8.360 nan 0.000 0.518 1621 F N -1.009 118.926 119.950 -0.026 0.000 2.764 1621 F HA 0.009 4.537 4.527 0.002 0.000 0.342 1621 F C 2.232 177.996 175.800 -0.060 0.000 0.873 1621 F CA -0.397 57.576 58.000 -0.046 0.000 1.086 1621 F CB 0.018 39.006 39.000 -0.020 0.000 0.937 1621 F HN -0.098 nan 8.300 nan 0.000 0.623 1622 Q N 1.620 121.503 119.800 0.140 0.000 2.118 1622 Q HA -0.260 4.081 4.340 0.002 0.000 0.211 1622 Q C 1.409 177.425 176.000 0.026 0.000 0.998 1622 Q CA 1.535 57.382 55.803 0.073 0.000 0.872 1622 Q CB -0.705 28.060 28.738 0.045 0.000 0.925 1622 Q HN 0.244 nan 8.270 nan 0.000 0.414 1623 K N 0.897 121.304 120.400 0.011 0.000 2.020 1623 K HA -0.123 4.198 4.320 0.002 0.000 0.212 1623 K C 2.223 178.774 176.600 -0.083 0.000 1.050 1623 K CA 0.997 57.270 56.287 -0.025 0.000 0.929 1623 K CB -0.906 31.581 32.500 -0.023 0.000 0.714 1623 K HN 0.197 nan 8.250 nan 0.000 0.443 1624 L N 1.130 122.275 121.223 -0.130 0.000 1.989 1624 L HA -0.219 4.122 4.340 0.002 0.000 0.211 1624 L C 2.530 179.154 176.870 -0.409 0.000 1.071 1624 L CA 1.574 56.188 54.840 -0.375 0.000 0.749 1624 L CB -0.776 40.985 42.059 -0.496 0.000 0.890 1624 L HN 0.202 nan 8.230 nan 0.000 0.431 1625 c N -0.539 117.934 118.600 -0.212 0.000 2.353 1625 c HA -0.301 4.270 4.570 0.002 0.000 0.272 1625 c C 2.648 176.725 174.090 -0.022 0.000 1.165 1625 c CA 1.411 57.698 56.329 -0.070 0.000 1.786 1625 c CB -1.018 41.519 42.510 0.043 0.000 2.071 1625 c HN 0.691 nan 8.230 nan 0.000 0.451 1626 D N 0.487 120.875 120.400 -0.020 0.000 2.088 1626 D HA -0.145 4.497 4.640 0.002 0.000 0.191 1626 D C 1.629 177.941 176.300 0.021 0.000 0.992 1626 D CA 1.933 55.941 54.000 0.014 0.000 0.831 1626 D CB -0.558 40.247 40.800 0.008 0.000 0.973 1626 D HN 0.489 nan 8.370 nan 0.000 0.447 1627 D N 0.005 120.390 120.400 -0.025 0.000 2.126 1627 D HA -0.208 4.433 4.640 0.002 0.000 0.190 1627 D C 2.190 178.561 176.300 0.119 0.000 1.001 1627 D CA 0.738 54.750 54.000 0.020 0.000 0.841 1627 D CB -0.813 39.969 40.800 -0.030 0.000 0.949 1627 D HN 0.271 nan 8.370 nan 0.000 0.446 1628 F N 1.664 121.495 119.950 -0.199 0.000 2.011 1628 F HA -0.194 4.334 4.527 0.002 0.000 0.296 1628 F C 2.799 178.523 175.800 -0.127 0.000 1.144 1628 F CA 0.640 58.413 58.000 -0.378 0.000 1.185 1628 F CB -1.458 37.004 39.000 -0.896 0.000 0.961 1628 F HN -0.030 nan 8.300 nan 0.000 0.485 1629 A N -0.665 122.274 122.820 0.198 0.000 1.971 1629 A HA -0.337 3.984 4.320 0.002 0.000 0.222 1629 A C 2.198 179.919 177.584 0.229 0.000 1.182 1629 A CA 2.289 54.471 52.037 0.241 0.000 0.649 1629 A CB -1.139 17.980 19.000 0.197 0.000 0.818 1629 A HN 0.568 nan 8.150 nan 0.000 0.458 1630 Q N -2.039 117.879 119.800 0.196 0.000 2.046 1630 Q HA -0.130 4.211 4.340 0.002 0.000 0.200 1630 Q C 1.823 177.978 176.000 0.259 0.000 0.975 1630 Q CA 1.632 57.560 55.803 0.208 0.000 0.836 1630 Q CB -0.270 28.561 28.738 0.154 0.000 0.896 1630 Q HN 0.674 nan 8.270 nan 0.000 0.428 1631 F N 0.477 120.466 119.950 0.064 0.000 2.025 1631 F HA -0.301 4.227 4.527 0.002 0.000 0.297 1631 F C 2.603 178.421 175.800 0.029 0.000 1.132 1631 F CA 2.016 60.022 58.000 0.009 0.000 1.191 1631 F CB -0.988 37.969 39.000 -0.072 0.000 0.963 1631 F HN 0.123 nan 8.300 nan 0.000 0.481 1632 S N -0.852 114.979 115.700 0.219 0.000 2.372 1632 S HA -0.362 4.109 4.470 0.002 0.000 0.227 1632 S C 2.100 176.752 174.600 0.086 0.000 1.044 1632 S CA 1.870 60.166 58.200 0.161 0.000 1.050 1632 S CB -1.158 62.289 63.200 0.411 0.000 0.901 1632 S HN 0.604 nan 8.310 nan 0.000 0.447 1633 Y N 1.704 122.036 120.300 0.052 0.000 2.114 1633 Y HA -0.067 4.484 4.550 0.002 0.000 0.284 1633 Y C 2.757 178.648 175.900 -0.015 0.000 1.143 1633 Y CA 2.314 60.424 58.100 0.016 0.000 1.135 1633 Y CB -1.069 37.427 38.460 0.061 0.000 0.980 1633 Y HN 0.283 nan 8.280 nan 0.000 0.499 1634 T N 1.215 115.810 114.554 0.068 0.000 2.746 1634 T HA -0.187 4.164 4.350 0.002 0.000 0.267 1634 T C 2.038 176.708 174.700 -0.051 0.000 1.039 1634 T CA 1.694 63.855 62.100 0.101 0.000 1.142 1634 T CB -0.503 68.444 68.868 0.132 0.000 0.866 1634 T HN 0.272 nan 8.240 nan 0.000 0.444 1635 L N 0.361 121.414 121.223 -0.283 0.000 1.993 1635 L HA -0.101 4.241 4.340 0.002 0.000 0.206 1635 L C 2.913 179.607 176.870 -0.294 0.000 1.074 1635 L CA 1.349 55.988 54.840 -0.335 0.000 0.746 1635 L CB -0.993 40.718 42.059 -0.579 0.000 0.896 1635 L HN 0.242 nan 8.230 nan 0.000 0.435 1636 T N -0.550 113.830 114.554 -0.290 0.000 2.755 1636 T HA -0.280 4.071 4.350 0.002 0.000 0.266 1636 T C 1.341 175.825 174.700 -0.359 0.000 1.041 1636 T CA 1.751 63.702 62.100 -0.247 0.000 1.147 1636 T CB -0.177 68.594 68.868 -0.161 0.000 0.847 1636 T HN 0.415 nan 8.240 nan 0.000 0.478 1637 E N -1.202 118.640 120.200 -0.598 0.000 2.601 1637 E HA 0.233 4.584 4.350 0.002 0.000 0.219 1637 E C -0.804 175.155 176.600 -1.068 0.000 0.964 1637 E CA -0.139 55.751 56.400 -0.850 0.000 1.050 1637 E CB 0.724 29.768 29.700 -1.094 0.000 1.068 1637 E HN 0.404 nan 8.360 nan 0.000 0.496 1638 F N -0.171 119.633 119.950 -0.244 0.000 2.578 1638 F HA 0.458 4.986 4.527 0.002 0.000 0.311 1638 F C 0.978 176.685 175.800 -0.156 0.000 1.094 1638 F CA -1.283 56.616 58.000 -0.169 0.000 0.923 1638 F CB 1.034 39.947 39.000 -0.145 0.000 1.230 1638 F HN -0.182 nan 8.300 nan 0.000 0.450 1639 G N 0.021 108.861 108.800 0.067 0.000 2.466 1639 G HA2 0.109 4.071 3.960 0.002 0.000 0.279 1639 G HA3 0.109 4.071 3.960 0.002 0.000 0.279 1639 G C -0.572 174.312 174.900 -0.027 0.000 1.410 1639 G CA -0.539 44.557 45.100 -0.008 0.000 1.065 1639 G HN 0.801 nan 8.290 nan 0.000 0.547 1640 c N 1.176 119.748 118.600 -0.047 0.000 2.648 1640 c HA 0.205 4.776 4.570 0.002 0.000 0.419 1640 c C -0.188 173.875 174.090 -0.045 0.000 1.352 1640 c CA -0.523 55.769 56.329 -0.061 0.000 1.816 1640 c CB 0.771 43.247 42.510 -0.058 0.000 2.598 1640 c HN 0.537 nan 8.230 nan 0.000 0.598 1641 P HA -0.121 nan 4.420 nan 0.000 0.217 1641 P C 0.828 178.105 177.300 -0.039 0.000 1.158 1641 P CA 1.638 64.707 63.100 -0.051 0.000 0.887 1641 P CB -0.087 31.580 31.700 -0.055 0.000 0.792 1642 T N 0.000 114.533 114.554 -0.035 0.000 3.816 1642 T HA 0.000 4.351 4.350 0.002 0.000 0.228 1642 T CA 0.000 62.085 62.100 -0.026 0.000 1.349 1642 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 1642 T HN 0.000 nan 8.240 nan 0.000 0.658