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 3prx_1_B DATA FIRST_RESID 23 DATA SEQUENCE ALYTLITPAV LRTDTEEQIL VEAHGDSTPK QLDIFVHDFP RKQKTLFQTR DATA SEQUENCE VDMNPAGGML VTPTIEIPAK EVSTDSRQNQ YVVVQVTGPQ VRLEKVVLLS DATA SEQUENCE YQSSFLFIQT DKGIYTPGSP VLYRVFSMDH XXXXXNKTVI 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 KcPQXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXEDGFIAD 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 XXXXXXXXKD DATA SEQUENCE LNLDITIELP DREVPIRYRI NYENALLART VETKLNQDIT VTASGDGKAT DATA SEQUENCE MTILTFYNAQ LXXXXXVcNK FHLNVSVENI HLXXXXXKGA 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 0.000 177.349 177.584 -0.392 0.000 1.274 23 A CA 0.000 51.874 52.037 -0.272 0.000 0.836 23 A CB 0.000 18.920 19.000 -0.133 0.000 0.831 24 L N 1.512 122.491 121.223 -0.407 0.000 2.294 24 L HA 0.757 5.099 4.340 0.003 0.000 0.283 24 L C -1.721 174.966 176.870 -0.305 0.000 1.015 24 L CA -0.982 53.689 54.840 -0.281 0.000 0.831 24 L CB 0.458 42.456 42.059 -0.102 0.000 1.217 24 L HN 0.191 nan 8.230 nan 0.000 0.420 25 Y N 2.664 123.014 120.300 0.084 0.000 2.335 25 Y HA 0.633 5.185 4.550 0.003 0.000 0.339 25 Y C 0.706 176.649 175.900 0.072 0.000 0.987 25 Y CA -0.754 57.391 58.100 0.075 0.000 1.140 25 Y CB 1.578 40.062 38.460 0.040 0.000 1.173 25 Y HN 0.648 nan 8.280 nan 0.000 0.486 26 T N 1.623 116.320 114.554 0.240 0.000 2.856 26 T HA 0.673 5.024 4.350 0.003 0.000 0.283 26 T C -1.234 173.553 174.700 0.146 0.000 1.008 26 T CA -0.843 61.355 62.100 0.164 0.000 0.997 26 T CB 1.655 70.638 68.868 0.192 0.000 0.992 26 T HN 0.439 nan 8.240 nan 0.000 0.454 27 L N 3.621 124.908 121.223 0.107 0.000 2.372 27 L HA 0.690 5.031 4.340 0.003 0.000 0.274 27 L C -1.462 175.473 176.870 0.107 0.000 0.988 27 L CA -0.913 53.984 54.840 0.096 0.000 0.833 27 L CB 0.898 42.996 42.059 0.065 0.000 1.236 27 L HN 0.785 nan 8.230 nan 0.000 0.410 28 I N 4.627 125.282 120.570 0.143 0.000 2.389 28 I HA 0.557 4.729 4.170 0.003 0.000 0.288 28 I C 0.022 176.202 176.117 0.104 0.000 0.999 28 I CA -0.413 60.992 61.300 0.175 0.000 1.129 28 I CB 1.942 40.120 38.000 0.295 0.000 1.288 28 I HN 0.705 nan 8.210 nan 0.000 0.444 29 T N 3.038 117.631 114.554 0.065 0.000 2.916 29 T HA 0.619 4.971 4.350 0.003 0.000 0.292 29 T C -2.930 171.767 174.700 -0.005 0.000 1.064 29 T CA -2.570 59.539 62.100 0.014 0.000 1.011 29 T CB 2.105 70.958 68.868 -0.025 0.000 1.152 29 T HN 0.112 nan 8.240 nan 0.000 0.510 30 P HA 0.274 nan 4.420 nan 0.000 0.268 30 P C 0.649 177.856 177.300 -0.156 0.000 1.205 30 P CA -0.190 62.867 63.100 -0.071 0.000 0.771 30 P CB 0.275 31.928 31.700 -0.077 0.000 0.858 31 A N 3.073 125.777 122.820 -0.192 0.000 1.978 31 A HA -0.037 4.285 4.320 0.003 0.000 0.220 31 A C 0.685 178.023 177.584 -0.409 0.000 1.170 31 A CA 1.607 53.495 52.037 -0.248 0.000 0.636 31 A CB -0.546 18.335 19.000 -0.198 0.000 0.810 31 A HN 0.439 nan 8.150 nan 0.000 0.448 32 V N 0.137 119.655 119.914 -0.660 0.000 2.525 32 V HA 0.437 4.559 4.120 0.003 0.000 0.299 32 V C -0.829 174.951 176.094 -0.524 0.000 1.034 32 V CA -0.485 61.349 62.300 -0.777 0.000 0.863 32 V CB 1.535 32.461 31.823 -1.494 0.000 0.999 32 V HN 0.309 nan 8.190 nan 0.000 0.423 33 L N 5.058 126.108 121.223 -0.289 0.000 2.282 33 L HA 0.586 4.928 4.340 0.003 0.000 0.288 33 L C 0.467 177.281 176.870 -0.093 0.000 1.033 33 L CA -0.513 54.232 54.840 -0.157 0.000 0.807 33 L CB 1.246 43.224 42.059 -0.136 0.000 1.209 33 L HN 0.535 nan 8.230 nan 0.000 0.423 34 R N 1.942 122.422 120.500 -0.035 0.000 2.242 34 R HA 0.214 4.555 4.340 0.003 0.000 0.334 34 R C 0.249 176.525 176.300 -0.040 0.000 1.071 34 R CA -0.442 55.646 56.100 -0.020 0.000 0.922 34 R CB 0.368 30.665 30.300 -0.005 0.000 1.023 34 R HN 0.658 nan 8.270 nan 0.000 0.458 35 T N -0.473 114.052 114.554 -0.048 0.000 2.791 35 T HA -0.064 4.287 4.350 0.003 0.000 0.323 35 T C 0.529 175.224 174.700 -0.008 0.000 1.082 35 T CA -0.506 61.579 62.100 -0.025 0.000 1.084 35 T CB 0.393 69.252 68.868 -0.016 0.000 0.992 35 T HN 0.649 nan 8.240 nan 0.000 0.547 36 D N -0.213 120.190 120.400 0.006 0.000 2.903 36 D HA -0.141 4.501 4.640 0.003 0.000 0.228 36 D C -0.197 176.093 176.300 -0.016 0.000 1.178 36 D CA 1.531 55.531 54.000 -0.000 0.000 0.740 36 D CB -1.293 39.504 40.800 -0.005 0.000 1.077 36 D HN 0.764 nan 8.370 nan 0.000 0.419 37 T N 0.018 114.560 114.554 -0.020 0.000 2.991 37 T HA 0.225 4.576 4.350 0.003 0.000 0.303 37 T C -0.106 174.584 174.700 -0.017 0.000 1.015 37 T CA -0.698 61.383 62.100 -0.033 0.000 1.007 37 T CB 2.591 71.410 68.868 -0.082 0.000 1.034 37 T HN 0.026 nan 8.240 nan 0.000 0.446 38 E N 2.199 122.399 120.200 -0.001 0.000 2.467 38 E HA 0.085 4.437 4.350 0.003 0.000 0.264 38 E C -0.222 176.374 176.600 -0.007 0.000 1.020 38 E CA 0.492 56.898 56.400 0.011 0.000 0.945 38 E CB 0.521 30.237 29.700 0.028 0.000 0.942 38 E HN 0.438 nan 8.360 nan 0.000 0.449 39 E N 2.135 122.324 120.200 -0.019 0.000 2.413 39 E HA 0.212 4.563 4.350 0.003 0.000 0.277 39 E C -1.272 175.312 176.600 -0.028 0.000 0.958 39 E CA -0.683 55.702 56.400 -0.024 0.000 0.779 39 E CB 2.049 31.720 29.700 -0.049 0.000 1.278 39 E HN 0.451 nan 8.360 nan 0.000 0.456 40 Q N 1.617 121.417 119.800 -0.000 0.000 2.321 40 Q HA 0.536 4.878 4.340 0.003 0.000 0.270 40 Q C -0.862 175.141 176.000 0.005 0.000 1.032 40 Q CA -0.591 55.218 55.803 0.009 0.000 0.784 40 Q CB 1.715 30.491 28.738 0.063 0.000 1.264 40 Q HN 0.529 nan 8.270 nan 0.000 0.448 41 I N 0.447 121.008 120.570 -0.015 0.000 2.530 41 I HA 0.540 4.711 4.170 0.003 0.000 0.297 41 I C -1.222 174.911 176.117 0.027 0.000 1.011 41 I CA -1.357 59.944 61.300 0.001 0.000 1.107 41 I CB 1.383 39.367 38.000 -0.026 0.000 1.285 41 I HN 0.425 nan 8.210 nan 0.000 0.436 42 L N 6.701 127.958 121.223 0.057 0.000 2.265 42 L HA 0.610 4.952 4.340 0.003 0.000 0.288 42 L C -0.896 176.026 176.870 0.086 0.000 1.058 42 L CA -0.112 54.774 54.840 0.077 0.000 0.809 42 L CB 1.309 43.434 42.059 0.111 0.000 1.179 42 L HN 0.572 nan 8.230 nan 0.000 0.429 43 V N 5.697 125.651 119.914 0.068 0.000 2.483 43 V HA 0.535 4.656 4.120 0.003 0.000 0.297 43 V C -0.514 175.620 176.094 0.066 0.000 1.027 43 V CA -0.556 61.789 62.300 0.075 0.000 0.855 43 V CB 1.902 33.759 31.823 0.057 0.000 0.995 43 V HN 0.837 nan 8.190 nan 0.000 0.424 44 E N 2.976 123.228 120.200 0.087 0.000 2.288 44 E HA 0.790 5.142 4.350 0.003 0.000 0.268 44 E C -0.843 175.786 176.600 0.048 0.000 0.885 44 E CA -0.897 55.507 56.400 0.005 0.000 0.767 44 E CB 2.628 32.284 29.700 -0.073 0.000 1.220 44 E HN 0.714 nan 8.360 nan 0.000 0.427 45 A N 2.983 125.790 122.820 -0.022 0.000 2.291 45 A HA 0.384 4.706 4.320 0.003 0.000 0.311 45 A C -1.027 176.464 177.584 -0.155 0.000 1.224 45 A CA -0.667 51.394 52.037 0.039 0.000 0.821 45 A CB 0.409 19.548 19.000 0.231 0.000 1.172 45 A HN 0.554 nan 8.150 nan 0.000 0.494 46 H N 1.563 120.633 119.070 -0.001 0.000 2.594 46 H HA 0.430 4.987 4.556 0.003 0.000 0.304 46 H C 0.934 176.215 175.328 -0.077 0.000 1.068 46 H CA 0.781 56.854 56.048 0.042 0.000 1.308 46 H CB 1.329 31.113 29.762 0.038 0.000 1.409 46 H HN 1.290 nan 8.280 nan 0.000 0.460 47 G N 3.736 112.575 108.800 0.065 0.000 2.540 47 G HA2 -0.206 3.756 3.960 0.003 0.000 0.260 47 G HA3 -0.206 3.756 3.960 0.003 0.000 0.260 47 G C -0.433 174.455 174.900 -0.021 0.000 0.993 47 G CA 0.366 45.459 45.100 -0.012 0.000 1.327 47 G HN 0.797 nan 8.290 nan 0.000 0.485 48 D N 0.416 120.826 120.400 0.017 0.000 3.198 48 D HA 0.152 4.794 4.640 0.003 0.000 0.237 48 D C 1.049 177.383 176.300 0.057 0.000 1.468 48 D CA 0.170 54.197 54.000 0.045 0.000 0.948 48 D CB -0.350 40.507 40.800 0.095 0.000 1.479 48 D HN 0.144 nan 8.370 nan 0.000 0.611 49 S N 0.033 115.755 115.700 0.038 0.000 2.653 49 S HA 0.037 4.509 4.470 0.003 0.000 0.233 49 S C 0.935 175.558 174.600 0.038 0.000 0.970 49 S CA 0.540 58.762 58.200 0.036 0.000 0.947 49 S CB -0.335 62.879 63.200 0.022 0.000 0.771 49 S HN 0.644 nan 8.310 nan 0.000 0.538 50 T N 1.235 115.817 114.554 0.045 0.000 2.744 50 T HA 0.443 4.795 4.350 0.003 0.000 0.291 50 T C -2.751 171.978 174.700 0.048 0.000 0.957 50 T CA -2.465 59.660 62.100 0.042 0.000 1.002 50 T CB 0.997 69.889 68.868 0.041 0.000 0.919 50 T HN -0.161 nan 8.240 nan 0.000 0.468 51 P HA 0.177 nan 4.420 nan 0.000 0.272 51 P C -0.196 177.123 177.300 0.032 0.000 1.225 51 P CA -0.071 63.049 63.100 0.034 0.000 0.800 51 P CB 0.371 32.087 31.700 0.026 0.000 0.894 52 K N -0.008 120.408 120.400 0.026 0.000 2.578 52 K HA 0.389 4.710 4.320 0.003 0.000 0.287 52 K C -1.188 175.421 176.600 0.015 0.000 1.010 52 K CA -0.705 55.592 56.287 0.015 0.000 0.889 52 K CB 1.776 34.281 32.500 0.007 0.000 1.514 52 K HN 0.311 nan 8.250 nan 0.000 0.424 53 Q N 2.269 122.075 119.800 0.010 0.000 2.374 53 Q HA 0.355 4.697 4.340 0.003 0.000 0.250 53 Q C -1.582 174.430 176.000 0.021 0.000 0.918 53 Q CA -0.471 55.343 55.803 0.019 0.000 0.778 53 Q CB 1.469 30.220 28.738 0.022 0.000 1.328 53 Q HN 0.467 nan 8.270 nan 0.000 0.445 54 L N -0.723 120.517 121.223 0.030 0.000 2.354 54 L HA 0.730 5.072 4.340 0.003 0.000 0.269 54 L C -0.632 176.288 176.870 0.083 0.000 1.005 54 L CA -1.165 53.698 54.840 0.038 0.000 0.819 54 L CB 1.716 43.783 42.059 0.013 0.000 1.311 54 L HN 0.211 nan 8.230 nan 0.000 0.423 55 D N 2.577 123.052 120.400 0.125 0.000 2.175 55 D HA 0.575 5.217 4.640 0.003 0.000 0.248 55 D C -0.471 175.991 176.300 0.270 0.000 1.047 55 D CA -0.113 54.023 54.000 0.227 0.000 0.883 55 D CB 1.769 42.785 40.800 0.360 0.000 1.180 55 D HN 0.366 nan 8.370 nan 0.000 0.438 56 I N 1.000 121.727 120.570 0.262 0.000 2.389 56 I HA 0.479 4.651 4.170 0.003 0.000 0.288 56 I C -0.808 175.448 176.117 0.233 0.000 0.999 56 I CA -0.647 60.783 61.300 0.217 0.000 1.129 56 I CB 0.220 38.267 38.000 0.079 0.000 1.288 56 I HN 0.246 nan 8.210 nan 0.000 0.444 57 F N 4.423 124.418 119.950 0.075 0.000 2.540 57 F HA 0.659 5.187 4.527 0.003 0.000 0.317 57 F C -0.270 175.525 175.800 -0.010 0.000 1.104 57 F CA -0.752 57.281 58.000 0.055 0.000 0.913 57 F CB 2.470 41.557 39.000 0.146 0.000 1.170 57 F HN 0.161 nan 8.300 nan 0.000 0.450 58 V N 3.145 123.032 119.914 -0.046 0.000 2.577 58 V HA 0.498 4.620 4.120 0.003 0.000 0.303 58 V C -0.814 175.146 176.094 -0.223 0.000 1.042 58 V CA -0.808 61.469 62.300 -0.039 0.000 0.872 58 V CB 1.653 33.465 31.823 -0.019 0.000 0.998 58 V HN 0.689 nan 8.190 nan 0.000 0.423 59 H N 2.507 121.685 119.070 0.179 0.000 2.690 59 H HA 0.348 4.906 4.556 0.003 0.000 0.368 59 H C -0.791 174.635 175.328 0.164 0.000 1.150 59 H CA -0.691 55.457 56.048 0.167 0.000 1.174 59 H CB 2.447 32.313 29.762 0.172 0.000 1.684 59 H HN 0.923 nan 8.280 nan 0.000 0.538 60 D N 1.746 122.293 120.400 0.244 0.000 2.472 60 D HA -0.089 4.553 4.640 0.003 0.000 0.237 60 D C -0.355 176.091 176.300 0.244 0.000 1.141 60 D CA 0.291 54.413 54.000 0.203 0.000 0.875 60 D CB 0.877 41.760 40.800 0.138 0.000 1.192 60 D HN 0.158 nan 8.370 nan 0.000 0.450 61 F N 2.372 122.391 119.950 0.115 0.000 2.422 61 F HA 0.273 4.802 4.527 0.003 0.000 0.333 61 F C -1.462 174.360 175.800 0.036 0.000 1.095 61 F CA -2.186 55.872 58.000 0.097 0.000 1.038 61 F CB 1.864 40.959 39.000 0.158 0.000 1.156 61 F HN 0.183 nan 8.300 nan 0.000 0.483 62 P HA 0.081 nan 4.420 nan 0.000 0.252 62 P C 0.745 177.713 177.300 -0.554 0.000 1.218 62 P CA 0.589 62.859 63.100 -1.383 0.000 0.807 62 P CB 0.241 31.157 31.700 -1.307 0.000 1.072 63 R N 1.699 122.045 120.500 -0.257 0.000 2.285 63 R HA -0.048 4.294 4.340 0.003 0.000 0.213 63 R C 1.081 177.337 176.300 -0.073 0.000 1.068 63 R CA 0.836 56.852 56.100 -0.140 0.000 1.004 63 R CB -0.738 29.516 30.300 -0.076 0.000 0.873 63 R HN 0.269 nan 8.270 nan 0.000 0.467 64 K N 0.202 120.591 120.400 -0.018 0.000 3.003 64 K HA -0.337 3.985 4.320 0.003 0.000 0.257 64 K C 0.328 176.959 176.600 0.052 0.000 0.958 64 K CA 1.523 57.827 56.287 0.029 0.000 0.707 64 K CB -1.641 30.785 32.500 -0.122 0.000 1.279 64 K HN 0.341 nan 8.250 nan 0.000 0.479 65 Q N 0.738 120.581 119.800 0.072 0.000 2.046 65 Q HA -0.108 4.234 4.340 0.003 0.000 0.200 65 Q C 0.410 176.479 176.000 0.115 0.000 0.975 65 Q CA 1.990 57.833 55.803 0.066 0.000 0.836 65 Q CB -0.000 28.765 28.738 0.045 0.000 0.896 65 Q HN 0.782 nan 8.270 nan 0.000 0.428 66 K N -0.262 120.238 120.400 0.167 0.000 2.426 66 K HA 0.431 4.753 4.320 0.003 0.000 0.251 66 K C -1.144 175.582 176.600 0.210 0.000 0.941 66 K CA -0.648 55.736 56.287 0.161 0.000 0.808 66 K CB 1.823 34.376 32.500 0.088 0.000 1.265 66 K HN -0.342 nan 8.250 nan 0.000 0.432 67 T N 3.780 118.415 114.554 0.134 0.000 2.776 67 T HA 0.079 4.430 4.350 0.003 0.000 0.292 67 T C 1.136 175.774 174.700 -0.103 0.000 0.921 67 T CA -0.554 61.505 62.100 -0.069 0.000 1.038 67 T CB 0.120 68.964 68.868 -0.041 0.000 0.910 67 T HN 0.366 nan 8.240 nan 0.000 0.536 68 L N 2.532 123.693 121.223 -0.103 0.000 2.027 68 L HA 0.317 4.659 4.340 0.003 0.000 0.206 68 L C 0.554 177.433 176.870 0.014 0.000 1.074 68 L CA 1.422 56.249 54.840 -0.021 0.000 0.745 68 L CB -0.826 41.245 42.059 0.019 0.000 0.898 68 L HN 0.640 nan 8.230 nan 0.000 0.433 69 F N -0.820 119.002 119.950 -0.213 0.000 2.596 69 F HA 0.471 4.999 4.527 0.003 0.000 0.311 69 F C -0.511 175.077 175.800 -0.353 0.000 1.116 69 F CA -0.791 57.080 58.000 -0.215 0.000 0.957 69 F CB 1.373 40.290 39.000 -0.138 0.000 1.250 69 F HN -0.083 nan 8.300 nan 0.000 0.444 70 Q N 4.730 124.379 119.800 -0.252 0.000 2.305 70 Q HA 0.616 4.958 4.340 0.003 0.000 0.271 70 Q C -1.782 174.096 176.000 -0.204 0.000 1.046 70 Q CA -0.376 55.214 55.803 -0.354 0.000 0.798 70 Q CB 2.701 31.006 28.738 -0.723 0.000 1.286 70 Q HN 0.850 nan 8.270 nan 0.000 0.435 71 T N 1.720 116.356 114.554 0.137 0.000 2.731 71 T HA 0.574 4.926 4.350 0.003 0.000 0.300 71 T C -1.929 172.845 174.700 0.123 0.000 1.283 71 T CA -0.648 61.536 62.100 0.140 0.000 1.005 71 T CB 1.625 70.704 68.868 0.352 0.000 1.420 71 T HN 0.607 nan 8.240 nan 0.000 0.503 72 R N 1.447 122.005 120.500 0.097 0.000 2.538 72 R HA 0.729 5.071 4.340 0.003 0.000 0.292 72 R C -2.069 174.273 176.300 0.071 0.000 1.008 72 R CA -0.494 55.657 56.100 0.086 0.000 0.896 72 R CB 1.296 31.636 30.300 0.067 0.000 1.187 72 R HN 0.438 nan 8.270 nan 0.000 0.440 73 V N 2.317 122.271 119.914 0.066 0.000 2.789 73 V HA 0.352 4.474 4.120 0.003 0.000 0.311 73 V C -0.997 175.121 176.094 0.041 0.000 1.073 73 V CA -1.135 61.195 62.300 0.051 0.000 0.921 73 V CB 2.160 34.012 31.823 0.049 0.000 1.009 73 V HN 0.815 nan 8.190 nan 0.000 0.426 74 D N 3.395 123.816 120.400 0.034 0.000 2.256 74 D HA 0.534 5.176 4.640 0.003 0.000 0.250 74 D C -0.236 176.080 176.300 0.027 0.000 1.093 74 D CA -0.316 53.702 54.000 0.029 0.000 0.882 74 D CB 1.407 42.222 40.800 0.026 0.000 1.185 74 D HN 0.648 nan 8.370 nan 0.000 0.437 75 M N 2.680 122.296 119.600 0.026 0.000 2.046 75 M HA 0.286 4.768 4.480 0.003 0.000 0.309 75 M C -1.646 174.672 176.300 0.030 0.000 0.935 75 M CA -0.697 54.619 55.300 0.027 0.000 0.915 75 M CB 0.899 33.517 32.600 0.030 0.000 1.474 75 M HN 0.467 nan 8.290 nan 0.000 0.415 76 N N 5.588 124.304 118.700 0.027 0.000 2.471 76 N HA 0.624 5.365 4.740 0.003 0.000 0.288 76 N C -2.599 172.929 175.510 0.029 0.000 1.220 76 N CA -1.722 51.344 53.050 0.028 0.000 0.893 76 N CB 0.780 39.281 38.487 0.024 0.000 1.256 76 N HN 0.321 nan 8.380 nan 0.000 0.534 77 P HA -0.113 nan 4.420 nan 0.000 0.218 77 P C 1.161 178.480 177.300 0.031 0.000 1.148 77 P CA 1.783 64.904 63.100 0.034 0.000 0.822 77 P CB -0.099 31.621 31.700 0.032 0.000 0.784 78 A N 0.917 123.752 122.820 0.025 0.000 1.873 78 A HA -0.092 4.230 4.320 0.003 0.000 0.218 78 A C 2.200 179.796 177.584 0.020 0.000 1.193 78 A CA 1.914 53.964 52.037 0.022 0.000 0.629 78 A CB -1.924 17.088 19.000 0.019 0.000 0.826 78 A HN 0.319 nan 8.150 nan 0.000 0.447 79 G N -1.412 107.398 108.800 0.016 0.000 3.353 79 G HA2 0.408 4.370 3.960 0.003 0.000 0.247 79 G HA3 0.408 4.370 3.960 0.003 0.000 0.247 79 G C 1.160 176.059 174.900 -0.003 0.000 1.025 79 G CA 0.434 45.538 45.100 0.008 0.000 1.863 79 G HN 1.576 nan 8.290 nan 0.000 0.635 80 G N 0.556 109.359 108.800 0.005 0.000 2.230 80 G HA2 -0.359 3.602 3.960 0.003 0.000 0.270 80 G HA3 -0.359 3.602 3.960 0.003 0.000 0.270 80 G C 0.975 175.872 174.900 -0.006 0.000 0.987 80 G CA 0.653 45.752 45.100 -0.002 0.000 0.664 80 G HN 1.020 nan 8.290 nan 0.000 0.539 81 M N -1.906 117.696 119.600 0.004 0.000 2.417 81 M HA -0.141 4.341 4.480 0.003 0.000 0.205 81 M C 0.266 176.543 176.300 -0.039 0.000 0.452 81 M CA 1.759 57.062 55.300 0.005 0.000 0.512 81 M CB -2.187 30.433 32.600 0.034 0.000 1.774 81 M HN 1.501 nan 8.290 nan 0.000 0.874 82 L N -1.957 119.242 121.223 -0.039 0.000 2.630 82 L HA 1.058 5.399 4.340 0.003 0.000 0.258 82 L C -0.885 175.980 176.870 -0.008 0.000 1.072 82 L CA -1.013 53.804 54.840 -0.038 0.000 0.885 82 L CB 2.603 44.611 42.059 -0.085 0.000 1.502 82 L HN 0.115 nan 8.230 nan 0.000 0.406 83 V N -2.256 117.662 119.914 0.007 0.000 3.120 83 V HA 0.687 4.809 4.120 0.003 0.000 0.303 83 V C -0.170 175.939 176.094 0.024 0.000 1.238 83 V CA 0.252 62.563 62.300 0.017 0.000 1.008 83 V CB 1.467 33.304 31.823 0.024 0.000 1.064 83 V HN 0.956 nan 8.190 nan 0.000 0.434 84 T N -0.412 114.158 114.554 0.026 0.000 3.377 84 T HA 0.553 4.904 4.350 0.003 0.000 0.270 84 T C -2.517 172.200 174.700 0.028 0.000 1.586 84 T CA -1.517 60.602 62.100 0.031 0.000 1.487 84 T CB 0.249 69.139 68.868 0.037 0.000 0.994 84 T HN 0.615 nan 8.240 nan 0.000 0.689 85 P HA 0.267 nan 4.420 nan 0.000 0.271 85 P C -0.229 177.056 177.300 -0.025 0.000 1.216 85 P CA -0.042 63.061 63.100 0.004 0.000 0.776 85 P CB 0.521 32.214 31.700 -0.011 0.000 0.881 86 T N 2.954 117.502 114.554 -0.010 0.000 2.753 86 T HA 0.537 4.889 4.350 0.003 0.000 0.297 86 T C 0.476 175.108 174.700 -0.114 0.000 0.981 86 T CA -0.544 61.540 62.100 -0.028 0.000 0.956 86 T CB -0.208 68.683 68.868 0.038 0.000 0.936 86 T HN 0.098 nan 8.240 nan 0.000 0.463 87 I N 0.328 120.710 120.570 -0.314 0.000 3.062 87 I HA 0.699 4.871 4.170 0.003 0.000 0.318 87 I C 0.388 176.395 176.117 -0.184 0.000 1.026 87 I CA -1.200 59.673 61.300 -0.712 0.000 1.096 87 I CB 0.530 37.975 38.000 -0.924 0.000 1.348 87 I HN 0.649 nan 8.210 nan 0.000 0.543 88 E N 1.749 121.966 120.200 0.029 0.000 2.640 88 E HA 0.374 4.726 4.350 0.003 0.000 0.360 88 E C -1.488 175.232 176.600 0.200 0.000 1.014 88 E CA -0.245 56.245 56.400 0.149 0.000 0.757 88 E CB 0.884 30.694 29.700 0.183 0.000 1.565 88 E HN 0.602 nan 8.360 nan 0.000 0.381 89 I N 4.845 125.467 120.570 0.086 0.000 2.533 89 I HA 0.137 4.308 4.170 0.003 0.000 0.284 89 I C -2.102 174.046 176.117 0.053 0.000 1.109 89 I CA -1.553 59.790 61.300 0.072 0.000 1.412 89 I CB 0.639 38.651 38.000 0.020 0.000 1.396 89 I HN 0.274 nan 8.210 nan 0.000 0.543 90 P HA 0.186 nan 4.420 nan 0.000 0.293 90 P C -0.008 177.318 177.300 0.043 0.000 1.313 90 P CA -0.424 62.697 63.100 0.035 0.000 0.787 90 P CB 1.555 33.268 31.700 0.022 0.000 0.910 91 A N 3.897 126.749 122.820 0.052 0.000 2.172 91 A HA -0.161 4.161 4.320 0.003 0.000 0.216 91 A C 1.924 179.558 177.584 0.083 0.000 1.154 91 A CA 1.168 53.263 52.037 0.096 0.000 0.701 91 A CB -0.880 18.205 19.000 0.141 0.000 0.789 91 A HN 0.474 nan 8.150 nan 0.000 0.465 92 K N -0.382 120.045 120.400 0.044 0.000 2.442 92 K HA -0.086 4.236 4.320 0.003 0.000 0.198 92 K C 0.879 177.497 176.600 0.029 0.000 1.042 92 K CA 1.100 57.402 56.287 0.024 0.000 0.958 92 K CB 0.102 32.605 32.500 0.005 0.000 0.766 92 K HN 0.363 nan 8.250 nan 0.000 0.474 93 E N -0.063 120.163 120.200 0.043 0.000 2.498 93 E HA 0.043 4.394 4.350 0.003 0.000 0.203 93 E C -0.586 176.055 176.600 0.068 0.000 1.013 93 E CA 0.116 56.542 56.400 0.044 0.000 0.927 93 E CB 1.039 30.760 29.700 0.035 0.000 1.012 93 E HN -0.037 nan 8.360 nan 0.000 0.482 94 V N 2.965 122.938 119.914 0.099 0.000 2.353 94 V HA 0.038 4.160 4.120 0.003 0.000 0.264 94 V C 1.394 177.574 176.094 0.143 0.000 1.049 94 V CA 0.054 62.440 62.300 0.143 0.000 0.896 94 V CB 0.969 32.926 31.823 0.223 0.000 1.025 94 V HN 0.116 nan 8.190 nan 0.000 0.475 95 S N 2.083 117.848 115.700 0.109 0.000 2.562 95 S HA -0.017 4.455 4.470 0.003 0.000 0.221 95 S C 0.890 175.542 174.600 0.088 0.000 0.975 95 S CA -0.100 58.147 58.200 0.079 0.000 0.918 95 S CB -0.374 62.859 63.200 0.055 0.000 0.772 95 S HN 0.686 nan 8.310 nan 0.000 0.531 96 T N 2.873 117.512 114.554 0.142 0.000 2.813 96 T HA 0.255 4.607 4.350 0.003 0.000 0.297 96 T C -0.248 174.496 174.700 0.075 0.000 1.036 96 T CA -0.284 61.903 62.100 0.145 0.000 1.044 96 T CB 0.567 69.574 68.868 0.232 0.000 0.993 96 T HN 0.204 nan 8.240 nan 0.000 0.535 97 D N -0.077 120.342 120.400 0.032 0.000 2.326 97 D HA 0.205 4.847 4.640 0.003 0.000 0.251 97 D C 1.088 177.347 176.300 -0.068 0.000 1.023 97 D CA -0.478 53.478 54.000 -0.074 0.000 0.966 97 D CB 1.416 42.204 40.800 -0.019 0.000 1.156 97 D HN 0.490 nan 8.370 nan 0.000 0.494 98 S N 1.116 116.711 115.700 -0.174 0.000 2.653 98 S HA -0.106 4.366 4.470 0.003 0.000 0.233 98 S C 1.474 176.127 174.600 0.089 0.000 0.970 98 S CA 0.247 58.434 58.200 -0.022 0.000 0.947 98 S CB 0.053 63.215 63.200 -0.063 0.000 0.771 98 S HN 0.321 nan 8.310 nan 0.000 0.538 99 R N 2.027 122.567 120.500 0.068 0.000 2.236 99 R HA 0.135 4.476 4.340 0.003 0.000 0.208 99 R C 0.705 177.060 176.300 0.091 0.000 1.036 99 R CA 0.789 56.931 56.100 0.070 0.000 1.001 99 R CB -0.087 30.242 30.300 0.049 0.000 0.896 99 R HN 0.853 nan 8.270 nan 0.000 0.464 100 Q N -1.233 118.641 119.800 0.123 0.000 2.391 100 Q HA 0.321 4.663 4.340 0.003 0.000 0.279 100 Q C -1.526 174.577 176.000 0.172 0.000 1.028 100 Q CA -0.974 54.904 55.803 0.125 0.000 0.836 100 Q CB 0.774 29.563 28.738 0.086 0.000 1.414 100 Q HN -0.174 nan 8.270 nan 0.000 0.397 101 N N 2.684 121.487 118.700 0.172 0.000 2.400 101 N HA 0.056 4.798 4.740 0.003 0.000 0.278 101 N C -1.099 174.572 175.510 0.269 0.000 1.247 101 N CA 0.246 53.437 53.050 0.236 0.000 0.970 101 N CB 0.740 39.400 38.487 0.287 0.000 1.312 101 N HN 0.503 nan 8.380 nan 0.000 0.488 102 Q N 1.800 121.748 119.800 0.247 0.000 2.256 102 Q HA 0.307 4.648 4.340 0.003 0.000 0.254 102 Q C -0.836 175.402 176.000 0.397 0.000 0.916 102 Q CA -0.250 55.695 55.803 0.236 0.000 0.932 102 Q CB 0.757 29.606 28.738 0.185 0.000 1.207 102 Q HN 0.467 nan 8.270 nan 0.000 0.426 103 Y N 1.279 121.636 120.300 0.095 0.000 2.453 103 Y HA 0.683 5.234 4.550 0.003 0.000 0.326 103 Y C -0.224 175.740 175.900 0.107 0.000 1.186 103 Y CA -1.324 56.808 58.100 0.053 0.000 1.200 103 Y CB 1.775 40.238 38.460 0.004 0.000 1.247 103 Y HN 0.347 nan 8.280 nan 0.000 0.482 104 V N 2.480 122.508 119.914 0.189 0.000 3.040 104 V HA 0.653 4.775 4.120 0.003 0.000 0.312 104 V C -1.316 174.850 176.094 0.120 0.000 1.115 104 V CA -0.710 61.694 62.300 0.174 0.000 0.998 104 V CB 2.274 34.148 31.823 0.085 0.000 1.042 104 V HN 0.518 nan 8.190 nan 0.000 0.433 105 V N 3.846 123.874 119.914 0.190 0.000 2.487 105 V HA 0.743 4.865 4.120 0.003 0.000 0.298 105 V C -0.327 175.857 176.094 0.150 0.000 1.028 105 V CA -0.729 61.668 62.300 0.162 0.000 0.860 105 V CB 1.141 33.142 31.823 0.296 0.000 0.991 105 V HN 0.629 nan 8.190 nan 0.000 0.427 106 V N 3.539 123.503 119.914 0.084 0.000 2.743 106 V HA 0.658 4.780 4.120 0.003 0.000 0.301 106 V C -0.112 176.049 176.094 0.113 0.000 1.057 106 V CA -0.375 61.971 62.300 0.076 0.000 1.006 106 V CB 1.373 33.204 31.823 0.015 0.000 1.024 106 V HN 1.060 nan 8.190 nan 0.000 0.473 107 Q N 1.209 121.092 119.800 0.137 0.000 2.327 107 Q HA 0.635 4.976 4.340 0.003 0.000 0.265 107 Q C -2.126 173.959 176.000 0.143 0.000 0.993 107 Q CA -0.405 55.486 55.803 0.146 0.000 0.885 107 Q CB 2.614 31.484 28.738 0.219 0.000 1.379 107 Q HN 0.648 nan 8.270 nan 0.000 0.408 108 V N 1.504 121.469 119.914 0.084 0.000 2.638 108 V HA 0.796 4.917 4.120 0.003 0.000 0.306 108 V C -0.476 175.632 176.094 0.024 0.000 1.052 108 V CA -0.655 61.689 62.300 0.073 0.000 0.885 108 V CB 1.698 33.547 31.823 0.044 0.000 0.999 108 V HN 0.881 nan 8.190 nan 0.000 0.424 109 T N 0.403 114.973 114.554 0.026 0.000 2.952 109 T HA 0.948 5.300 4.350 0.003 0.000 0.305 109 T C -0.189 174.495 174.700 -0.026 0.000 1.064 109 T CA 0.025 62.109 62.100 -0.027 0.000 1.008 109 T CB 1.957 70.786 68.868 -0.065 0.000 1.078 109 T HN 1.598 nan 8.240 nan 0.000 0.459 110 G N 1.656 110.418 108.800 -0.063 0.000 2.348 110 G HA2 0.587 4.549 3.960 0.003 0.000 0.296 110 G HA3 0.587 4.549 3.960 0.003 0.000 0.296 110 G C -3.254 171.595 174.900 -0.085 0.000 1.258 110 G CA -0.978 44.087 45.100 -0.057 0.000 0.868 110 G HN 0.677 nan 8.290 nan 0.000 0.488 111 P HA 0.195 nan 4.420 nan 0.000 0.256 111 P C 0.162 177.397 177.300 -0.107 0.000 1.173 111 P CA 0.927 63.989 63.100 -0.062 0.000 0.768 111 P CB 0.421 32.101 31.700 -0.035 0.000 0.758 112 Q N -0.873 118.879 119.800 -0.080 0.000 2.393 112 Q HA -0.189 4.152 4.340 0.003 0.000 0.235 112 Q C -0.590 175.280 176.000 -0.216 0.000 0.823 112 Q CA 0.708 56.467 55.803 -0.073 0.000 1.284 112 Q CB -1.258 27.489 28.738 0.016 0.000 1.669 112 Q HN 0.328 nan 8.270 nan 0.000 0.597 113 V N -0.317 119.428 119.914 -0.281 0.000 2.932 113 V HA 0.792 4.914 4.120 0.003 0.000 0.307 113 V C -0.514 175.467 176.094 -0.188 0.000 1.147 113 V CA -0.826 61.246 62.300 -0.379 0.000 0.951 113 V CB 2.207 33.567 31.823 -0.771 0.000 1.031 113 V HN 0.359 nan 8.190 nan 0.000 0.426 114 R N 3.247 123.676 120.500 -0.119 0.000 2.604 114 R HA 0.891 5.233 4.340 0.003 0.000 0.270 114 R C -2.216 174.073 176.300 -0.019 0.000 1.052 114 R CA -0.682 55.382 56.100 -0.060 0.000 0.902 114 R CB 1.557 31.829 30.300 -0.047 0.000 1.233 114 R HN 0.602 nan 8.270 nan 0.000 0.455 115 L N 0.915 122.140 121.223 0.002 0.000 2.434 115 L HA 0.629 4.970 4.340 0.003 0.000 0.260 115 L C -0.879 176.011 176.870 0.033 0.000 0.983 115 L CA -0.855 54.000 54.840 0.025 0.000 0.820 115 L CB 2.788 44.870 42.059 0.039 0.000 1.361 115 L HN 0.793 nan 8.230 nan 0.000 0.410 116 E N 2.050 122.270 120.200 0.033 0.000 2.291 116 E HA 0.441 4.793 4.350 0.003 0.000 0.276 116 E C -1.653 174.963 176.600 0.027 0.000 0.896 116 E CA -0.737 55.688 56.400 0.043 0.000 0.774 116 E CB 2.588 32.316 29.700 0.047 0.000 1.227 116 E HN 0.254 nan 8.360 nan 0.000 0.413 117 K N 2.910 123.323 120.400 0.021 0.000 2.565 117 K HA 0.294 4.615 4.320 0.003 0.000 0.249 117 K C -1.826 174.742 176.600 -0.054 0.000 0.958 117 K CA -0.653 55.623 56.287 -0.018 0.000 0.806 117 K CB 1.918 34.407 32.500 -0.019 0.000 1.194 117 K HN 0.275 nan 8.250 nan 0.000 0.434 118 V N 6.014 125.856 119.914 -0.120 0.000 2.530 118 V HA 0.714 4.836 4.120 0.003 0.000 0.282 118 V C -0.638 175.299 176.094 -0.262 0.000 1.048 118 V CA -0.061 62.101 62.300 -0.231 0.000 0.997 118 V CB 0.829 32.388 31.823 -0.439 0.000 0.987 118 V HN 0.542 nan 8.190 nan 0.000 0.477 119 V N 5.375 125.126 119.914 -0.271 0.000 3.130 119 V HA 0.633 4.755 4.120 0.003 0.000 0.310 119 V C -0.577 175.251 176.094 -0.442 0.000 1.158 119 V CA -1.212 60.885 62.300 -0.338 0.000 1.029 119 V CB 1.623 33.304 31.823 -0.236 0.000 1.057 119 V HN 0.739 nan 8.190 nan 0.000 0.436 120 L N 1.781 122.705 121.223 -0.499 0.000 2.399 120 L HA 0.628 4.970 4.340 0.003 0.000 0.266 120 L C -0.497 176.212 176.870 -0.269 0.000 1.114 120 L CA -0.400 54.165 54.840 -0.459 0.000 0.804 120 L CB 1.230 43.030 42.059 -0.432 0.000 1.146 120 L HN 0.660 nan 8.230 nan 0.000 0.451 121 L N 2.322 123.435 121.223 -0.183 0.000 2.333 121 L HA 0.451 4.793 4.340 0.003 0.000 0.280 121 L C -0.157 176.575 176.870 -0.229 0.000 1.004 121 L CA 0.109 54.829 54.840 -0.201 0.000 0.820 121 L CB 1.612 43.547 42.059 -0.207 0.000 1.247 121 L HN 0.688 nan 8.230 nan 0.000 0.416 122 S N 2.754 118.359 115.700 -0.160 0.000 2.462 122 S HA 0.338 4.809 4.470 0.003 0.000 0.294 122 S C 0.481 175.006 174.600 -0.126 0.000 1.144 122 S CA -0.258 57.899 58.200 -0.072 0.000 1.088 122 S CB 0.466 63.741 63.200 0.126 0.000 1.009 122 S HN 0.453 nan 8.310 nan 0.000 0.484 123 Y N 2.251 122.594 120.300 0.071 0.000 2.578 123 Y HA 0.112 4.664 4.550 0.003 0.000 0.297 123 Y C 1.438 177.359 175.900 0.034 0.000 1.176 123 Y CA 0.252 58.383 58.100 0.053 0.000 1.315 123 Y CB -0.452 38.048 38.460 0.067 0.000 1.031 123 Y HN 0.744 nan 8.280 nan 0.000 0.524 124 Q N 0.470 120.359 119.800 0.148 0.000 2.485 124 Q HA -0.126 4.215 4.340 0.003 0.000 0.348 124 Q C 1.048 177.038 176.000 -0.017 0.000 1.097 124 Q CA 0.975 56.815 55.803 0.062 0.000 1.079 124 Q CB 1.037 29.781 28.738 0.009 0.000 1.108 124 Q HN 0.191 nan 8.270 nan 0.000 0.400 125 S N 2.504 118.179 115.700 -0.042 0.000 2.559 125 S HA 0.370 4.842 4.470 0.003 0.000 0.212 125 S C 0.164 174.637 174.600 -0.212 0.000 0.994 125 S CA 0.425 58.540 58.200 -0.142 0.000 0.903 125 S CB 0.201 63.267 63.200 -0.224 0.000 0.861 125 S HN 0.779 nan 8.310 nan 0.000 0.601 126 S N -1.590 114.033 115.700 -0.128 0.000 2.714 126 S HA 0.620 5.091 4.470 0.003 0.000 0.280 126 S C -2.442 172.100 174.600 -0.097 0.000 1.200 126 S CA -0.597 57.502 58.200 -0.168 0.000 0.900 126 S CB 0.087 63.397 63.200 0.182 0.000 1.235 126 S HN 0.193 nan 8.310 nan 0.000 0.512 127 F N 2.173 122.202 119.950 0.133 0.000 2.499 127 F HA 0.590 5.118 4.527 0.003 0.000 0.333 127 F C -0.057 175.455 175.800 -0.480 0.000 1.138 127 F CA -0.922 56.943 58.000 -0.225 0.000 0.945 127 F CB 1.155 39.978 39.000 -0.294 0.000 1.181 127 F HN 0.366 nan 8.300 nan 0.000 0.435 128 L N 3.143 124.123 121.223 -0.405 0.000 2.375 128 L HA 0.591 4.933 4.340 0.003 0.000 0.268 128 L C -1.226 175.089 176.870 -0.925 0.000 1.058 128 L CA -0.747 53.821 54.840 -0.455 0.000 0.803 128 L CB 1.549 43.494 42.059 -0.190 0.000 1.212 128 L HN 0.340 nan 8.230 nan 0.000 0.451 129 F N 1.350 121.236 119.950 -0.107 0.000 2.722 129 F HA 0.426 4.954 4.527 0.003 0.000 0.336 129 F C -0.170 175.738 175.800 0.180 0.000 1.216 129 F CA -0.734 57.212 58.000 -0.090 0.000 1.065 129 F CB 1.081 40.058 39.000 -0.037 0.000 1.325 129 F HN 0.130 nan 8.300 nan 0.000 0.524 130 I N 2.976 123.838 120.570 0.487 0.000 2.499 130 I HA 0.471 4.643 4.170 0.003 0.000 0.296 130 I C -0.319 175.919 176.117 0.202 0.000 0.992 130 I CA -0.627 60.800 61.300 0.211 0.000 1.297 130 I CB 1.788 39.828 38.000 0.067 0.000 1.410 130 I HN 0.544 nan 8.210 nan 0.000 0.507 131 Q N 4.646 124.534 119.800 0.147 0.000 2.285 131 Q HA 0.415 4.757 4.340 0.003 0.000 0.269 131 Q C -1.365 174.804 176.000 0.282 0.000 1.030 131 Q CA -0.676 55.252 55.803 0.209 0.000 0.788 131 Q CB 2.178 31.048 28.738 0.220 0.000 1.266 131 Q HN 0.817 nan 8.270 nan 0.000 0.438 132 T N -0.051 114.685 114.554 0.303 0.000 2.855 132 T HA 0.182 4.534 4.350 0.003 0.000 0.281 132 T C 1.092 176.016 174.700 0.373 0.000 1.007 132 T CA -0.331 61.975 62.100 0.342 0.000 1.009 132 T CB 1.224 70.302 68.868 0.350 0.000 0.983 132 T HN 0.729 nan 8.240 nan 0.000 0.455 133 D N 2.533 123.144 120.400 0.353 0.000 2.170 133 D HA -0.225 4.416 4.640 0.003 0.000 0.193 133 D C 0.550 176.976 176.300 0.209 0.000 1.004 133 D CA 1.456 55.722 54.000 0.443 0.000 0.860 133 D CB 0.027 40.925 40.800 0.163 0.000 0.931 133 D HN 0.853 nan 8.370 nan 0.000 0.448 134 K N -2.761 117.699 120.400 0.100 0.000 2.499 134 K HA 0.577 4.899 4.320 0.003 0.000 0.277 134 K C 0.670 177.260 176.600 -0.017 0.000 1.025 134 K CA -0.556 55.699 56.287 -0.052 0.000 0.900 134 K CB 1.246 33.601 32.500 -0.242 0.000 1.494 134 K HN -0.152 nan 8.250 nan 0.000 0.442 135 G N 0.233 109.042 108.800 0.015 0.000 3.042 135 G HA2 0.247 4.209 3.960 0.003 0.000 0.212 135 G HA3 0.247 4.209 3.960 0.003 0.000 0.212 135 G C -0.133 174.875 174.900 0.180 0.000 1.166 135 G CA 0.290 45.512 45.100 0.204 0.000 0.767 135 G HN 0.536 nan 8.290 nan 0.000 0.546 136 I N -1.634 118.826 120.570 -0.184 0.000 2.771 136 I HA 0.515 4.687 4.170 0.003 0.000 0.291 136 I C -2.202 173.665 176.117 -0.417 0.000 1.527 136 I CA -1.155 60.093 61.300 -0.085 0.000 1.024 136 I CB 1.726 39.749 38.000 0.039 0.000 1.388 136 I HN -0.037 nan 8.210 nan 0.000 0.447 137 Y N 3.754 124.032 120.300 -0.037 0.000 2.457 137 Y HA 0.435 4.987 4.550 0.003 0.000 0.343 137 Y C 0.113 175.941 175.900 -0.121 0.000 0.994 137 Y CA -0.705 57.316 58.100 -0.131 0.000 1.031 137 Y CB 2.361 40.651 38.460 -0.284 0.000 1.246 137 Y HN 0.430 nan 8.280 nan 0.000 0.449 138 T N 4.829 119.388 114.554 0.008 0.000 2.934 138 T HA 0.116 4.468 4.350 0.003 0.000 0.306 138 T C -2.473 172.211 174.700 -0.027 0.000 1.042 138 T CA -0.980 61.076 62.100 -0.074 0.000 1.145 138 T CB 0.180 69.006 68.868 -0.070 0.000 0.982 138 T HN 0.208 nan 8.240 nan 0.000 0.544 139 P HA 0.206 nan 4.420 nan 0.000 0.268 139 P C 1.230 178.523 177.300 -0.012 0.000 1.208 139 P CA 0.804 63.905 63.100 0.002 0.000 0.777 139 P CB 0.196 31.945 31.700 0.081 0.000 0.875 140 G N 0.681 109.434 108.800 -0.078 0.000 2.320 140 G HA2 -0.266 3.695 3.960 0.003 0.000 0.242 140 G HA3 -0.266 3.695 3.960 0.003 0.000 0.242 140 G C 0.479 175.314 174.900 -0.109 0.000 1.033 140 G CA 0.420 45.471 45.100 -0.082 0.000 0.620 140 G HN 0.817 nan 8.290 nan 0.000 0.517 141 S N 1.246 116.887 115.700 -0.099 0.000 2.596 141 S HA 0.604 5.076 4.470 0.003 0.000 0.260 141 S C -2.634 171.838 174.600 -0.213 0.000 1.336 141 S CA -0.514 57.626 58.200 -0.100 0.000 0.993 141 S CB 1.875 65.072 63.200 -0.006 0.000 0.923 141 S HN 0.408 nan 8.310 nan 0.000 0.567 142 P HA 0.426 nan 4.420 nan 0.000 0.304 142 P C -1.268 175.829 177.300 -0.339 0.000 1.385 142 P CA -0.785 62.143 63.100 -0.287 0.000 0.896 142 P CB 1.386 32.962 31.700 -0.207 0.000 0.958 143 V N 5.555 125.151 119.914 -0.529 0.000 2.389 143 V HA 0.168 4.290 4.120 0.003 0.000 0.264 143 V C 0.567 176.438 176.094 -0.372 0.000 1.049 143 V CA -0.176 61.706 62.300 -0.698 0.000 0.932 143 V CB 0.024 31.212 31.823 -1.058 0.000 1.011 143 V HN 0.361 nan 8.190 nan 0.000 0.475 144 L N 5.702 126.665 121.223 -0.432 0.000 2.317 144 L HA 0.855 5.197 4.340 0.003 0.000 0.281 144 L C -0.593 175.884 176.870 -0.655 0.000 1.024 144 L CA -0.713 53.707 54.840 -0.700 0.000 0.810 144 L CB 1.197 42.634 42.059 -1.037 0.000 1.240 144 L HN 0.615 nan 8.230 nan 0.000 0.427 145 Y N 0.364 120.387 120.300 -0.460 0.000 2.633 145 Y HA 0.832 5.383 4.550 0.003 0.000 0.339 145 Y C -0.754 174.942 175.900 -0.340 0.000 1.045 145 Y CA -1.512 56.438 58.100 -0.251 0.000 1.098 145 Y CB 1.491 39.829 38.460 -0.202 0.000 1.296 145 Y HN 0.625 nan 8.280 nan 0.000 0.494 146 R N 0.964 121.483 120.500 0.032 0.000 2.673 146 R HA 0.709 5.050 4.340 0.003 0.000 0.281 146 R C -2.202 173.841 176.300 -0.429 0.000 0.991 146 R CA -1.159 54.700 56.100 -0.401 0.000 0.896 146 R CB 2.766 32.980 30.300 -0.143 0.000 1.201 146 R HN 0.728 nan 8.270 nan 0.000 0.457 147 V N 5.358 125.053 119.914 -0.365 0.000 2.376 147 V HA 0.456 4.577 4.120 0.003 0.000 0.287 147 V C -1.145 174.919 176.094 -0.051 0.000 1.015 147 V CA -0.529 61.691 62.300 -0.134 0.000 0.834 147 V CB 1.030 32.842 31.823 -0.018 0.000 1.001 147 V HN 0.528 nan 8.190 nan 0.000 0.428 148 F N 3.901 123.985 119.950 0.223 0.000 2.377 148 F HA 0.694 5.223 4.527 0.003 0.000 0.328 148 F C 0.733 176.641 175.800 0.181 0.000 1.094 148 F CA -0.370 57.773 58.000 0.239 0.000 1.093 148 F CB 1.933 41.109 39.000 0.293 0.000 1.214 148 F HN 0.502 nan 8.300 nan 0.000 0.518 149 S N 2.715 118.697 115.700 0.469 0.000 2.557 149 S HA 0.447 4.918 4.470 0.003 0.000 0.291 149 S C -0.559 174.249 174.600 0.346 0.000 1.116 149 S CA -1.030 57.343 58.200 0.288 0.000 0.992 149 S CB 1.263 64.629 63.200 0.277 0.000 1.028 149 S HN 0.494 nan 8.310 nan 0.000 0.484 150 M N 3.430 123.101 119.600 0.118 0.000 3.282 150 M HA 0.131 4.613 4.480 0.003 0.000 0.242 150 M C 0.213 176.309 176.300 -0.340 0.000 1.568 150 M CA -0.058 55.212 55.300 -0.050 0.000 1.668 150 M CB -1.877 30.753 32.600 0.049 0.000 1.236 150 M HN 0.879 nan 8.290 nan 0.000 0.527 151 D N 2.558 122.908 120.400 -0.084 0.000 2.795 151 D HA -0.109 4.533 4.640 0.003 0.000 0.221 151 D C -0.125 175.963 176.300 -0.353 0.000 1.108 151 D CA 1.359 55.353 54.000 -0.010 0.000 0.832 151 D CB 0.521 41.510 40.800 0.314 0.000 1.183 151 D HN 0.434 nan 8.370 nan 0.000 0.503 159 K N 0.032 120.462 120.400 0.050 0.000 2.220 159 K HA 0.388 4.710 4.320 0.003 0.000 0.283 159 K C -0.487 176.190 176.600 0.127 0.000 1.098 159 K CA -0.498 55.845 56.287 0.094 0.000 0.928 159 K CB 0.157 32.705 32.500 0.080 0.000 1.214 159 K HN 0.387 nan 8.250 nan 0.000 0.442 160 T N -0.520 114.142 114.554 0.180 0.000 2.809 160 T HA 0.440 4.792 4.350 0.003 0.000 0.284 160 T C -0.315 174.536 174.700 0.250 0.000 0.992 160 T CA -0.754 61.456 62.100 0.184 0.000 0.957 160 T CB 1.125 70.085 68.868 0.153 0.000 0.942 160 T HN 0.240 nan 8.240 nan 0.000 0.439 161 V N 4.860 124.878 119.914 0.173 0.000 2.555 161 V HA 0.578 4.700 4.120 0.003 0.000 0.302 161 V C 0.080 176.230 176.094 0.092 0.000 1.038 161 V CA -1.178 61.181 62.300 0.099 0.000 0.887 161 V CB 1.747 33.584 31.823 0.023 0.000 0.991 161 V HN 1.028 nan 8.190 nan 0.000 0.434 162 I N 4.082 124.682 120.570 0.049 0.000 2.336 162 I HA 0.593 4.765 4.170 0.003 0.000 0.292 162 I C -0.944 175.180 176.117 0.012 0.000 0.991 162 I CA -0.372 60.958 61.300 0.050 0.000 1.227 162 I CB 1.454 39.471 38.000 0.028 0.000 1.366 162 I HN 0.443 nan 8.210 nan 0.000 0.466 163 V N 7.249 127.190 119.914 0.046 0.000 2.628 163 V HA 0.518 4.639 4.120 0.003 0.000 0.306 163 V C -0.448 175.682 176.094 0.059 0.000 1.045 163 V CA -0.606 61.689 62.300 -0.008 0.000 0.905 163 V CB 1.962 33.762 31.823 -0.039 0.000 0.997 163 V HN 0.705 nan 8.190 nan 0.000 0.436 164 E N 2.315 122.517 120.200 0.003 0.000 2.314 164 E HA 0.531 4.883 4.350 0.003 0.000 0.272 164 E C -1.952 174.685 176.600 0.062 0.000 0.884 164 E CA -0.619 55.824 56.400 0.072 0.000 0.753 164 E CB 2.722 32.415 29.700 -0.011 0.000 1.213 164 E HN 0.486 nan 8.360 nan 0.000 0.432 165 F N 2.016 121.902 119.950 -0.107 0.000 2.375 165 F HA 0.290 4.819 4.527 0.003 0.000 0.361 165 F C 0.059 175.800 175.800 -0.098 0.000 1.117 165 F CA -0.466 57.486 58.000 -0.081 0.000 1.037 165 F CB 1.511 40.428 39.000 -0.138 0.000 1.192 165 F HN 0.192 nan 8.300 nan 0.000 0.452 166 Q N 1.371 121.131 119.800 -0.066 0.000 2.282 166 Q HA 0.390 4.732 4.340 0.003 0.000 0.260 166 Q C 0.197 175.943 176.000 -0.423 0.000 0.964 166 Q CA -0.863 54.823 55.803 -0.195 0.000 0.880 166 Q CB 2.264 30.885 28.738 -0.195 0.000 1.286 166 Q HN 0.643 nan 8.270 nan 0.000 0.445 167 T N 0.574 114.695 114.554 -0.722 0.000 2.813 167 T HA 0.169 4.521 4.350 0.003 0.000 0.297 167 T C -1.819 172.464 174.700 -0.694 0.000 1.036 167 T CA -1.600 59.743 62.100 -1.261 0.000 1.044 167 T CB 0.433 68.659 68.868 -1.069 0.000 0.993 167 T HN 0.304 nan 8.240 nan 0.000 0.535 168 P HA 0.092 nan 4.420 nan 0.000 0.229 168 P C 1.024 178.184 177.300 -0.233 0.000 1.160 168 P CA 0.696 63.599 63.100 -0.328 0.000 0.777 168 P CB 0.097 31.678 31.700 -0.199 0.000 0.814 169 E N -0.936 119.121 120.200 -0.238 0.000 2.150 169 E HA -0.016 4.336 4.350 0.003 0.000 0.193 169 E C 1.468 177.972 176.600 -0.160 0.000 0.985 169 E CA 1.180 57.488 56.400 -0.152 0.000 0.814 169 E CB -0.358 29.270 29.700 -0.120 0.000 0.752 169 E HN 0.278 nan 8.360 nan 0.000 0.466 170 G N 0.462 109.134 108.800 -0.213 0.000 2.318 170 G HA2 -0.163 3.799 3.960 0.003 0.000 0.172 170 G HA3 -0.163 3.799 3.960 0.003 0.000 0.172 170 G C 0.233 175.032 174.900 -0.169 0.000 1.002 170 G CA -0.249 44.743 45.100 -0.180 0.000 0.697 170 G HN 0.098 nan 8.290 nan 0.000 0.483 171 I N 1.650 122.111 120.570 -0.182 0.000 2.581 171 I HA 0.516 4.687 4.170 0.003 0.000 0.288 171 I C 0.802 176.841 176.117 -0.131 0.000 1.047 171 I CA -0.920 60.300 61.300 -0.132 0.000 1.374 171 I CB 0.998 38.936 38.000 -0.103 0.000 1.423 171 I HN 0.064 nan 8.210 nan 0.000 0.549 172 L N 6.155 127.334 121.223 -0.073 0.000 2.436 172 L HA 0.275 4.616 4.340 0.003 0.000 0.265 172 L C 0.438 177.304 176.870 -0.006 0.000 1.168 172 L CA 0.543 55.358 54.840 -0.042 0.000 0.815 172 L CB 1.413 43.458 42.059 -0.023 0.000 1.109 172 L HN 0.531 nan 8.230 nan 0.000 0.462 173 V N 0.637 120.563 119.914 0.020 0.000 3.509 173 V HA 0.340 4.462 4.120 0.003 0.000 0.286 173 V C -0.104 175.978 176.094 -0.020 0.000 1.618 173 V CA 0.256 62.585 62.300 0.048 0.000 1.088 173 V CB 0.063 31.970 31.823 0.140 0.000 0.909 173 V HN 0.737 nan 8.190 nan 0.000 0.429 174 S N -0.219 115.475 115.700 -0.011 0.000 2.586 174 S HA 0.521 4.993 4.470 0.003 0.000 0.296 174 S C -1.305 173.346 174.600 0.085 0.000 1.120 174 S CA -0.052 58.146 58.200 -0.003 0.000 0.927 174 S CB 1.873 64.964 63.200 -0.182 0.000 1.114 174 S HN 0.173 nan 8.310 nan 0.000 0.453 175 S N 3.722 119.478 115.700 0.094 0.000 2.745 175 S HA 0.547 5.019 4.470 0.003 0.000 0.283 175 S C -0.956 173.729 174.600 0.141 0.000 1.170 175 S CA -0.634 57.624 58.200 0.097 0.000 1.119 175 S CB -0.155 63.076 63.200 0.051 0.000 1.035 175 S HN 0.745 nan 8.310 nan 0.000 0.483 176 N N 1.274 120.098 118.700 0.207 0.000 2.335 176 N HA 0.499 5.241 4.740 0.003 0.000 0.304 176 N C -1.133 174.534 175.510 0.263 0.000 1.135 176 N CA -0.978 52.265 53.050 0.320 0.000 0.817 176 N CB 1.791 40.631 38.487 0.589 0.000 1.294 176 N HN 0.349 nan 8.380 nan 0.000 0.497 177 S N 0.456 116.329 115.700 0.288 0.000 2.150 177 S HA 0.234 4.706 4.470 0.003 0.000 0.171 177 S C -0.088 174.658 174.600 0.244 0.000 1.620 177 S CA -0.824 57.504 58.200 0.213 0.000 1.190 177 S CB -0.015 63.278 63.200 0.155 0.000 1.102 177 S HN 0.474 nan 8.310 nan 0.000 0.464 178 V N -0.141 119.922 119.914 0.247 0.000 2.743 178 V HA 0.587 4.708 4.120 0.003 0.000 0.301 178 V C -0.021 176.131 176.094 0.096 0.000 1.057 178 V CA -0.770 61.660 62.300 0.217 0.000 1.006 178 V CB 1.412 33.349 31.823 0.191 0.000 1.024 178 V HN 0.692 nan 8.190 nan 0.000 0.473 179 D N 3.665 124.084 120.400 0.031 0.000 2.264 179 D HA 0.177 4.819 4.640 0.003 0.000 0.249 179 D C 0.805 176.993 176.300 -0.187 0.000 1.070 179 D CA -0.533 53.448 54.000 -0.032 0.000 0.912 179 D CB 1.849 42.635 40.800 -0.023 0.000 1.193 179 D HN 0.619 nan 8.370 nan 0.000 0.427 180 L N 1.574 122.706 121.223 -0.152 0.000 2.642 180 L HA -0.109 4.233 4.340 0.003 0.000 0.236 180 L C 1.908 178.580 176.870 -0.329 0.000 1.169 180 L CA 0.188 54.888 54.840 -0.235 0.000 0.851 180 L CB -0.899 41.094 42.059 -0.111 0.000 0.968 180 L HN 0.427 nan 8.230 nan 0.000 0.453 181 N N 0.101 118.647 118.700 -0.257 0.000 2.278 181 N HA -0.011 4.731 4.740 0.003 0.000 0.181 181 N C -0.072 175.493 175.510 0.092 0.000 1.023 181 N CA 0.850 53.858 53.050 -0.069 0.000 0.862 181 N CB 0.373 38.841 38.487 -0.031 0.000 1.003 181 N HN 0.012 nan 8.380 nan 0.000 0.431 182 F N 0.224 119.888 119.950 -0.477 0.000 2.556 182 F HA 0.482 5.011 4.527 0.003 0.000 0.314 182 F C -0.933 174.634 175.800 -0.389 0.000 1.106 182 F CA -1.215 56.600 58.000 -0.308 0.000 0.911 182 F CB 1.298 40.276 39.000 -0.036 0.000 1.190 182 F HN -0.093 nan 8.300 nan 0.000 0.448 183 F N 0.598 120.523 119.950 -0.041 0.000 2.678 183 F HA 0.585 5.114 4.527 0.003 0.000 0.308 183 F C -1.187 174.384 175.800 -0.382 0.000 1.118 183 F CA -1.898 55.899 58.000 -0.338 0.000 0.959 183 F CB 1.079 39.656 39.000 -0.705 0.000 1.305 183 F HN 0.539 nan 8.300 nan 0.000 0.443 184 W N 0.427 121.714 121.300 -0.021 0.000 2.181 184 W HA 0.908 5.569 4.660 0.003 0.000 0.415 184 W C -3.024 173.236 176.519 -0.433 0.000 1.689 184 W CA -2.023 55.210 57.345 -0.187 0.000 1.859 184 W CB -0.617 28.791 29.460 -0.087 0.000 1.425 184 W HN 0.166 nan 8.180 nan 0.000 0.713 185 P HA 0.175 nan 4.420 nan 0.000 0.285 185 P C -1.859 175.452 177.300 0.019 0.000 1.285 185 P CA -0.649 62.282 63.100 -0.281 0.000 0.854 185 P CB 0.938 32.467 31.700 -0.284 0.000 1.180 186 Y N 1.059 121.212 120.300 -0.246 0.000 2.367 186 Y HA 0.324 4.876 4.550 0.003 0.000 0.342 186 Y C -0.093 175.658 175.900 -0.249 0.000 0.979 186 Y CA -0.959 56.954 58.100 -0.312 0.000 1.161 186 Y CB -0.172 37.821 38.460 -0.778 0.000 1.155 186 Y HN 0.292 nan 8.280 nan 0.000 0.503 187 N N 6.635 125.015 118.700 -0.535 0.000 2.406 187 N HA 0.186 4.928 4.740 0.003 0.000 0.265 187 N C -1.035 173.976 175.510 -0.832 0.000 1.203 187 N CA -0.112 52.614 53.050 -0.539 0.000 0.945 187 N CB 0.419 38.723 38.487 -0.305 0.000 1.165 187 N HN 0.547 nan 8.380 nan 0.000 0.485 188 L N 4.995 125.807 121.223 -0.685 0.000 2.360 188 L HA 0.260 4.601 4.340 0.003 0.000 0.276 188 L C -1.924 174.749 176.870 -0.328 0.000 1.121 188 L CA -1.761 52.731 54.840 -0.580 0.000 0.845 188 L CB 0.366 42.116 42.059 -0.515 0.000 1.143 188 L HN 0.277 nan 8.230 nan 0.000 0.452 189 P HA -0.057 nan 4.420 nan 0.000 0.267 189 P C 0.191 177.421 177.300 -0.118 0.000 1.200 189 P CA -0.139 62.883 63.100 -0.130 0.000 0.772 189 P CB 0.577 32.241 31.700 -0.061 0.000 0.855 190 D N 1.186 121.534 120.400 -0.087 0.000 2.389 190 D HA -0.071 4.570 4.640 0.003 0.000 0.221 190 D C 0.074 176.324 176.300 -0.083 0.000 0.974 190 D CA 1.062 55.025 54.000 -0.061 0.000 0.923 190 D CB 0.166 40.941 40.800 -0.041 0.000 0.892 190 D HN 0.234 nan 8.370 nan 0.000 0.518 191 L N 0.847 121.983 121.223 -0.145 0.000 2.492 191 L HA 0.330 4.671 4.340 0.003 0.000 0.258 191 L C -1.411 175.111 176.870 -0.582 0.000 1.028 191 L CA -0.384 54.284 54.840 -0.287 0.000 0.900 191 L CB 1.966 43.913 42.059 -0.188 0.000 1.191 191 L HN -0.336 nan 8.230 nan 0.000 0.459 192 V N 1.666 121.235 119.914 -0.575 0.000 3.147 192 V HA 0.415 4.537 4.120 0.003 0.000 0.299 192 V C -0.138 175.936 176.094 -0.034 0.000 1.302 192 V CA -0.409 61.614 62.300 -0.461 0.000 1.015 192 V CB 2.788 34.643 31.823 0.054 0.000 1.086 192 V HN 0.690 nan 8.190 nan 0.000 0.437 193 S N 5.138 121.080 115.700 0.403 0.000 2.631 193 S HA 0.129 4.601 4.470 0.003 0.000 0.311 193 S C -0.390 174.509 174.600 0.498 0.000 1.254 193 S CA 0.117 58.614 58.200 0.496 0.000 1.039 193 S CB -0.110 63.316 63.200 0.377 0.000 0.753 193 S HN 0.503 nan 8.310 nan 0.000 0.494 194 L N 2.494 123.924 121.223 0.344 0.000 2.325 194 L HA 0.785 5.127 4.340 0.003 0.000 0.278 194 L C 1.001 178.037 176.870 0.277 0.000 1.023 194 L CA 0.589 55.615 54.840 0.310 0.000 0.811 194 L CB 0.660 42.835 42.059 0.193 0.000 1.249 194 L HN 1.017 nan 8.230 nan 0.000 0.431 195 G N 2.443 111.434 108.800 0.318 0.000 2.295 195 G HA2 -0.057 3.905 3.960 0.003 0.000 0.155 195 G HA3 -0.057 3.905 3.960 0.003 0.000 0.155 195 G C -0.865 174.212 174.900 0.295 0.000 1.307 195 G CA -0.331 44.904 45.100 0.226 0.000 1.140 195 G HN 0.369 nan 8.290 nan 0.000 0.470 196 T N 1.153 115.805 114.554 0.162 0.000 3.253 196 T HA 0.475 4.827 4.350 0.003 0.000 0.391 196 T C -0.504 174.170 174.700 -0.044 0.000 1.527 196 T CA -0.264 61.904 62.100 0.113 0.000 1.268 196 T CB 0.203 69.072 68.868 0.001 0.000 1.126 196 T HN 0.448 nan 8.240 nan 0.000 0.620 197 W N 3.165 124.279 121.300 -0.309 0.000 2.209 197 W HA 0.224 4.886 4.660 0.003 0.000 0.344 197 W C 0.823 176.920 176.519 -0.703 0.000 1.285 197 W CA -0.729 56.279 57.345 -0.562 0.000 1.267 197 W CB 0.248 29.165 29.460 -0.906 0.000 1.167 197 W HN 0.423 nan 8.180 nan 0.000 0.574 198 R N 3.322 123.609 120.500 -0.355 0.000 2.343 198 R HA 0.620 4.961 4.340 0.003 0.000 0.320 198 R C -0.854 175.205 176.300 -0.402 0.000 0.956 198 R CA -0.870 55.075 56.100 -0.259 0.000 0.836 198 R CB 1.234 31.450 30.300 -0.141 0.000 1.151 198 R HN 0.415 nan 8.270 nan 0.000 0.450 199 I N 4.086 124.349 120.570 -0.512 0.000 2.315 199 I HA 0.196 4.367 4.170 0.003 0.000 0.291 199 I C -0.250 175.586 176.117 -0.468 0.000 1.006 199 I CA -0.895 59.978 61.300 -0.712 0.000 1.265 199 I CB 1.668 39.203 38.000 -0.774 0.000 1.387 199 I HN 0.481 nan 8.210 nan 0.000 0.475 200 V N 4.219 123.904 119.914 -0.382 0.000 2.483 200 V HA 0.877 4.999 4.120 0.003 0.000 0.297 200 V C -0.277 175.690 176.094 -0.211 0.000 1.027 200 V CA -0.521 61.613 62.300 -0.276 0.000 0.855 200 V CB 1.303 33.009 31.823 -0.195 0.000 0.995 200 V HN 0.701 nan 8.190 nan 0.000 0.424 201 A N 5.191 127.906 122.820 -0.176 0.000 2.337 201 A HA 0.988 5.309 4.320 0.003 0.000 0.329 201 A C -0.232 177.302 177.584 -0.084 0.000 1.146 201 A CA -0.540 51.424 52.037 -0.122 0.000 0.800 201 A CB 1.638 20.569 19.000 -0.116 0.000 1.220 201 A HN 1.295 nan 8.150 nan 0.000 0.472 202 K N 0.348 120.685 120.400 -0.104 0.000 2.507 202 K HA 0.576 4.898 4.320 0.003 0.000 0.284 202 K C -1.935 174.585 176.600 -0.134 0.000 1.038 202 K CA -0.764 55.463 56.287 -0.100 0.000 0.903 202 K CB 0.828 33.324 32.500 -0.007 0.000 1.531 202 K HN 0.421 nan 8.250 nan 0.000 0.430 203 Y N 2.038 122.376 120.300 0.063 0.000 2.320 203 Y HA 0.131 4.683 4.550 0.003 0.000 0.334 203 Y C -0.004 175.946 175.900 0.083 0.000 1.055 203 Y CA -0.547 57.598 58.100 0.075 0.000 1.143 203 Y CB 1.489 39.996 38.460 0.078 0.000 1.193 203 Y HN 0.622 nan 8.280 nan 0.000 0.477 204 E N 2.995 123.375 120.200 0.300 0.000 2.924 204 E HA -0.125 4.226 4.350 0.003 0.000 0.236 204 E C -1.000 175.822 176.600 0.371 0.000 1.028 204 E CA 0.299 56.857 56.400 0.264 0.000 0.952 204 E CB -0.696 29.215 29.700 0.351 0.000 0.918 204 E HN 0.839 nan 8.360 nan 0.000 0.536 205 H N 0.607 119.734 119.070 0.095 0.000 2.944 205 H HA -0.154 4.404 4.556 0.003 0.000 0.313 205 H C -0.998 174.369 175.328 0.064 0.000 1.293 205 H CA 1.148 57.236 56.048 0.067 0.000 1.173 205 H CB -1.827 27.977 29.762 0.069 0.000 1.420 205 H HN 0.666 nan 8.280 nan 0.000 0.432 206 S N -0.868 114.929 115.700 0.163 0.000 2.465 206 S HA 0.346 4.818 4.470 0.003 0.000 0.186 206 S C -3.011 171.678 174.600 0.148 0.000 0.839 206 S CA -1.187 57.100 58.200 0.145 0.000 1.037 206 S CB 0.813 64.106 63.200 0.156 0.000 1.407 206 S HN -0.015 nan 8.310 nan 0.000 0.396 207 P HA 0.014 nan 4.420 nan 0.000 0.165 207 P C 0.664 178.038 177.300 0.123 0.000 1.190 207 P CA 0.566 63.720 63.100 0.091 0.000 1.111 207 P CB -0.042 31.702 31.700 0.073 0.000 1.648 208 E N 1.605 121.892 120.200 0.145 0.000 2.250 208 E HA -0.092 4.260 4.350 0.003 0.000 0.192 208 E C 0.494 177.178 176.600 0.139 0.000 0.986 208 E CA 0.202 56.704 56.400 0.171 0.000 0.849 208 E CB -0.171 29.656 29.700 0.212 0.000 0.797 208 E HN 0.102 nan 8.360 nan 0.000 0.482 209 N N 0.396 119.146 118.700 0.083 0.000 2.708 209 N HA -0.273 4.469 4.740 0.003 0.000 0.251 209 N C -0.881 174.659 175.510 0.050 0.000 1.017 209 N CA 0.581 53.655 53.050 0.040 0.000 0.742 209 N CB -1.714 36.797 38.487 0.039 0.000 0.943 209 N HN 0.277 nan 8.380 nan 0.000 0.539 210 Y N -0.242 120.028 120.300 -0.050 0.000 2.300 210 Y HA 0.539 5.091 4.550 0.003 0.000 0.328 210 Y C 0.904 176.737 175.900 -0.112 0.000 1.270 210 Y CA 0.211 58.273 58.100 -0.063 0.000 1.352 210 Y CB 1.098 39.523 38.460 -0.058 0.000 1.286 210 Y HN 0.091 nan 8.280 nan 0.000 0.536 211 T N 2.638 116.335 114.554 -1.428 0.000 2.843 211 T HA 0.813 5.165 4.350 0.003 0.000 0.302 211 T C -2.015 171.999 174.700 -1.144 0.000 1.232 211 T CA -0.165 61.352 62.100 -0.972 0.000 1.009 211 T CB 0.949 69.433 68.868 -0.639 0.000 1.254 211 T HN 0.974 nan 8.240 nan 0.000 0.504 212 A N 2.068 124.413 122.820 -0.791 0.000 2.540 212 A HA 0.694 5.016 4.320 0.003 0.000 0.297 212 A C -2.245 175.064 177.584 -0.459 0.000 1.056 212 A CA -0.577 51.096 52.037 -0.607 0.000 0.700 212 A CB 1.034 19.869 19.000 -0.275 0.000 1.280 212 A HN 0.610 nan 8.150 nan 0.000 0.398 213 Y N 1.175 121.198 120.300 -0.462 0.000 2.377 213 Y HA 0.707 5.259 4.550 0.003 0.000 0.339 213 Y C -0.203 175.391 175.900 -0.510 0.000 1.011 213 Y CA -1.660 56.027 58.100 -0.687 0.000 1.093 213 Y CB 1.480 39.288 38.460 -1.087 0.000 1.201 213 Y HN 0.665 nan 8.280 nan 0.000 0.455 214 F N 0.170 120.124 119.950 0.007 0.000 2.563 214 F HA 0.674 5.203 4.527 0.003 0.000 0.316 214 F C -0.853 175.152 175.800 0.342 0.000 1.076 214 F CA -1.671 56.486 58.000 0.261 0.000 0.921 214 F CB 1.266 40.469 39.000 0.339 0.000 1.209 214 F HN 0.265 nan 8.300 nan 0.000 0.462 215 D N 1.977 122.849 120.400 0.785 0.000 2.210 215 D HA 0.473 5.115 4.640 0.003 0.000 0.249 215 D C -1.100 175.541 176.300 0.569 0.000 1.062 215 D CA -0.078 54.267 54.000 0.574 0.000 0.891 215 D CB 2.566 43.609 40.800 0.406 0.000 1.186 215 D HN 0.539 nan 8.370 nan 0.000 0.432 216 V N 3.425 123.611 119.914 0.454 0.000 2.569 216 V HA 0.571 4.692 4.120 0.003 0.000 0.301 216 V C -0.976 175.256 176.094 0.230 0.000 1.044 216 V CA -0.471 62.008 62.300 0.298 0.000 0.874 216 V CB 1.766 33.678 31.823 0.150 0.000 1.002 216 V HN 0.622 nan 8.190 nan 0.000 0.424 217 R N 5.041 125.630 120.500 0.147 0.000 2.725 217 R HA 0.350 4.692 4.340 0.003 0.000 0.254 217 R C -1.576 174.749 176.300 0.041 0.000 1.076 217 R CA -0.799 55.367 56.100 0.111 0.000 0.940 217 R CB 1.639 32.006 30.300 0.112 0.000 1.260 217 R HN 0.656 nan 8.270 nan 0.000 0.466 218 K N 3.769 124.198 120.400 0.049 0.000 2.315 218 K HA 0.157 4.479 4.320 0.003 0.000 0.291 218 K C -0.845 175.752 176.600 -0.005 0.000 1.074 218 K CA -0.011 56.264 56.287 -0.020 0.000 0.936 218 K CB 0.360 33.074 32.500 0.358 0.000 1.049 218 K HN 0.319 nan 8.250 nan 0.000 0.471 219 Y N 0.761 120.867 120.300 -0.324 0.000 3.059 219 Y HA 0.418 4.970 4.550 0.003 0.000 0.301 219 Y C -1.247 174.533 175.900 -0.200 0.000 1.677 219 Y CA -1.646 56.349 58.100 -0.176 0.000 1.079 219 Y CB 1.445 39.830 38.460 -0.125 0.000 1.534 219 Y HN 0.133 nan 8.280 nan 0.000 0.473 220 V N 1.029 120.848 119.914 -0.158 0.000 3.029 220 V HA 0.282 4.404 4.120 0.003 0.000 0.253 220 V C -1.132 174.648 176.094 -0.524 0.000 0.859 220 V CA -1.039 61.105 62.300 -0.261 0.000 0.970 220 V CB -0.070 31.736 31.823 -0.028 0.000 1.003 220 V HN 0.591 nan 8.190 nan 0.000 0.507 221 L N 2.799 123.721 121.223 -0.502 0.000 2.980 221 L HA 0.130 4.472 4.340 0.003 0.000 0.297 221 L C -1.748 174.936 176.870 -0.310 0.000 1.024 221 L CA -0.164 54.410 54.840 -0.443 0.000 1.118 221 L CB -1.344 40.561 42.059 -0.258 0.000 1.559 221 L HN 0.341 nan 8.230 nan 0.000 0.427 222 P HA 0.018 nan 4.420 nan 0.000 0.270 222 P C 0.658 177.903 177.300 -0.091 0.000 1.227 222 P CA -0.166 62.841 63.100 -0.155 0.000 0.788 222 P CB 0.644 32.241 31.700 -0.170 0.000 0.926 223 S N 0.215 115.956 115.700 0.070 0.000 2.650 223 S HA 0.165 4.637 4.470 0.003 0.000 0.219 223 S C 0.131 174.793 174.600 0.104 0.000 0.960 223 S CA -0.233 58.026 58.200 0.097 0.000 0.925 223 S CB -1.193 62.132 63.200 0.209 0.000 0.775 223 S HN 0.480 nan 8.310 nan 0.000 0.525 224 F N -0.737 119.080 119.950 -0.222 0.000 2.596 224 F HA 0.658 5.187 4.527 0.003 0.000 0.311 224 F C -0.762 174.909 175.800 -0.215 0.000 1.116 224 F CA -1.206 56.620 58.000 -0.291 0.000 0.957 224 F CB 1.043 39.727 39.000 -0.527 0.000 1.250 224 F HN -0.027 nan 8.300 nan 0.000 0.444 225 E N 2.785 122.841 120.200 -0.239 0.000 2.354 225 E HA 0.472 4.824 4.350 0.003 0.000 0.269 225 E C -1.529 174.921 176.600 -0.251 0.000 1.036 225 E CA -0.588 55.645 56.400 -0.277 0.000 0.876 225 E CB 1.771 31.379 29.700 -0.154 0.000 1.009 225 E HN 0.677 nan 8.360 nan 0.000 0.416 226 V N 5.198 124.941 119.914 -0.284 0.000 2.495 226 V HA 0.428 4.550 4.120 0.003 0.000 0.298 226 V C -0.392 175.630 176.094 -0.120 0.000 1.031 226 V CA -0.535 61.668 62.300 -0.161 0.000 0.871 226 V CB 1.718 33.440 31.823 -0.169 0.000 0.988 226 V HN 0.682 nan 8.190 nan 0.000 0.432 227 R N 5.269 125.724 120.500 -0.075 0.000 2.599 227 R HA 0.716 5.057 4.340 0.003 0.000 0.295 227 R C -1.496 174.778 176.300 -0.042 0.000 0.963 227 R CA -0.733 55.330 56.100 -0.061 0.000 0.883 227 R CB 2.164 32.434 30.300 -0.051 0.000 1.171 227 R HN 0.530 nan 8.270 nan 0.000 0.450 228 L N 2.015 123.216 121.223 -0.036 0.000 2.334 228 L HA 0.490 4.831 4.340 0.003 0.000 0.276 228 L C -0.465 176.407 176.870 0.002 0.000 1.014 228 L CA -0.958 53.870 54.840 -0.019 0.000 0.815 228 L CB 1.845 43.890 42.059 -0.024 0.000 1.268 228 L HN 0.401 nan 8.230 nan 0.000 0.428 229 Q N 3.301 123.114 119.800 0.021 0.000 2.444 229 Q HA 0.436 4.777 4.340 0.003 0.000 0.251 229 Q C -2.673 173.376 176.000 0.081 0.000 0.939 229 Q CA -1.593 54.235 55.803 0.042 0.000 0.740 229 Q CB 2.215 30.971 28.738 0.029 0.000 1.308 229 Q HN 0.162 nan 8.270 nan 0.000 0.461 230 P HA 0.091 nan 4.420 nan 0.000 0.272 230 P C 0.177 177.609 177.300 0.220 0.000 1.230 230 P CA -0.035 63.222 63.100 0.262 0.000 0.788 230 P CB 1.067 32.972 31.700 0.341 0.000 0.949 231 S N -0.267 115.615 115.700 0.303 0.000 2.371 231 S HA -0.020 4.451 4.470 0.003 0.000 0.224 231 S C 0.575 175.125 174.600 -0.083 0.000 1.029 231 S CA 0.884 59.157 58.200 0.122 0.000 0.978 231 S CB -0.353 62.993 63.200 0.242 0.000 0.833 231 S HN 0.428 nan 8.310 nan 0.000 0.466 232 E N 0.161 120.186 120.200 -0.292 0.000 2.410 232 E HA 0.434 4.786 4.350 0.003 0.000 0.269 232 E C -0.465 175.851 176.600 -0.473 0.000 0.937 232 E CA -0.680 55.401 56.400 -0.533 0.000 0.793 232 E CB 1.451 30.519 29.700 -1.052 0.000 1.314 232 E HN 0.058 nan 8.360 nan 0.000 0.447 233 K N 0.334 120.497 120.400 -0.396 0.000 2.487 233 K HA 0.093 4.415 4.320 0.003 0.000 0.192 233 K C -0.491 176.132 176.600 0.038 0.000 1.027 233 K CA 0.384 56.633 56.287 -0.064 0.000 1.054 233 K CB -0.243 32.308 32.500 0.085 0.000 0.824 233 K HN 0.365 nan 8.250 nan 0.000 0.510 234 F N -3.845 115.994 119.950 -0.185 0.000 2.741 234 F HA 0.462 4.991 4.527 0.003 0.000 0.311 234 F C -1.627 174.029 175.800 -0.240 0.000 1.149 234 F CA -1.986 55.934 58.000 -0.134 0.000 0.930 234 F CB 0.620 39.516 39.000 -0.174 0.000 1.312 234 F HN -0.232 nan 8.300 nan 0.000 0.450 235 F N 2.204 122.172 119.950 0.029 0.000 2.518 235 F HA 0.592 5.121 4.527 0.003 0.000 0.323 235 F C -1.290 174.623 175.800 0.189 0.000 1.129 235 F CA -1.214 56.745 58.000 -0.068 0.000 0.920 235 F CB 1.096 40.108 39.000 0.021 0.000 1.160 235 F HN 0.435 nan 8.300 nan 0.000 0.440 236 Y N 7.231 127.305 120.300 -0.376 0.000 2.730 236 Y HA 0.089 4.640 4.550 0.003 0.000 0.354 236 Y C 1.468 177.187 175.900 -0.301 0.000 1.139 236 Y CA -0.045 57.893 58.100 -0.271 0.000 1.516 236 Y CB 0.061 38.351 38.460 -0.283 0.000 1.204 236 Y HN 0.628 nan 8.280 nan 0.000 0.520 237 I N 2.592 123.230 120.570 0.114 0.000 3.294 237 I HA -0.227 3.945 4.170 0.003 0.000 0.287 237 I C 0.228 176.335 176.117 -0.016 0.000 1.328 237 I CA 1.329 62.687 61.300 0.096 0.000 1.375 237 I CB -0.062 38.006 38.000 0.113 0.000 1.045 237 I HN 0.654 nan 8.210 nan 0.000 0.522 238 D N -2.175 118.190 120.400 -0.058 0.000 2.848 238 D HA 0.163 4.804 4.640 0.003 0.000 0.303 238 D C 0.251 176.492 176.300 -0.099 0.000 1.665 238 D CA -0.051 53.901 54.000 -0.080 0.000 0.807 238 D CB -0.649 40.107 40.800 -0.073 0.000 1.288 238 D HN 0.100 nan 8.370 nan 0.000 0.441 239 G N -0.195 108.538 108.800 -0.112 0.000 2.782 239 G HA2 0.296 4.257 3.960 0.003 0.000 0.201 239 G HA3 0.296 4.257 3.960 0.003 0.000 0.201 239 G C 0.518 175.377 174.900 -0.068 0.000 1.374 239 G CA -0.571 44.477 45.100 -0.086 0.000 1.039 239 G HN 0.083 nan 8.290 nan 0.000 0.576 240 N N -0.061 118.614 118.700 -0.041 0.000 2.239 240 N HA 0.021 4.763 4.740 0.003 0.000 0.208 240 N C 0.160 175.666 175.510 -0.007 0.000 1.200 240 N CA -0.129 52.915 53.050 -0.011 0.000 0.895 240 N CB 0.901 39.390 38.487 0.004 0.000 1.085 240 N HN 0.669 nan 8.380 nan 0.000 0.500 241 E N 2.533 122.697 120.200 -0.059 0.000 2.465 241 E HA -0.008 4.343 4.350 0.003 0.000 0.260 241 E C -0.464 176.144 176.600 0.014 0.000 0.980 241 E CA 0.218 56.578 56.400 -0.066 0.000 0.927 241 E CB 0.467 30.073 29.700 -0.157 0.000 0.934 241 E HN 0.002 nan 8.360 nan 0.000 0.459 242 N N 3.175 121.879 118.700 0.008 0.000 2.503 242 N HA 0.139 4.881 4.740 0.003 0.000 0.267 242 N C -0.855 174.601 175.510 -0.091 0.000 1.214 242 N CA -0.136 52.907 53.050 -0.012 0.000 0.959 242 N CB 0.527 38.940 38.487 -0.123 0.000 1.142 242 N HN 0.534 nan 8.380 nan 0.000 0.455 243 F N 2.466 122.243 119.950 -0.288 0.000 2.308 243 F HA 0.188 4.717 4.527 0.003 0.000 0.370 243 F C 0.133 175.693 175.800 -0.399 0.000 1.100 243 F CA -0.931 56.874 58.000 -0.325 0.000 1.108 243 F CB 0.393 39.179 39.000 -0.356 0.000 1.293 243 F HN 0.336 nan 8.300 nan 0.000 0.478 244 H N 5.079 124.407 119.070 0.431 0.000 2.610 244 H HA 0.340 4.898 4.556 0.003 0.000 0.336 244 H C -0.517 174.919 175.328 0.180 0.000 1.087 244 H CA -0.388 55.783 56.048 0.205 0.000 1.405 244 H CB 1.868 31.713 29.762 0.138 0.000 1.460 244 H HN 0.294 nan 8.280 nan 0.000 0.538 245 V N 2.848 122.868 119.914 0.176 0.000 2.443 245 V HA 0.133 4.255 4.120 0.003 0.000 0.293 245 V C 0.182 176.323 176.094 0.078 0.000 1.021 245 V CA -0.826 61.530 62.300 0.093 0.000 0.848 245 V CB 1.463 33.281 31.823 -0.007 0.000 0.998 245 V HN 0.724 nan 8.190 nan 0.000 0.424 246 S N 5.699 121.439 115.700 0.068 0.000 2.565 246 S HA 0.663 5.135 4.470 0.003 0.000 0.274 246 S C -0.202 174.401 174.600 0.005 0.000 1.309 246 S CA -0.318 57.901 58.200 0.031 0.000 1.043 246 S CB 0.856 64.071 63.200 0.024 0.000 0.939 246 S HN 0.567 nan 8.310 nan 0.000 0.504 247 I N 2.958 123.522 120.570 -0.010 0.000 2.418 247 I HA 0.306 4.478 4.170 0.003 0.000 0.287 247 I C -0.048 176.058 176.117 -0.019 0.000 1.008 247 I CA -0.510 60.776 61.300 -0.023 0.000 1.104 247 I CB 1.867 39.844 38.000 -0.039 0.000 1.264 247 I HN 0.587 nan 8.210 nan 0.000 0.438 248 T N 2.630 117.174 114.554 -0.017 0.000 2.855 248 T HA 0.856 5.207 4.350 0.003 0.000 0.281 248 T C -0.442 174.256 174.700 -0.003 0.000 1.007 248 T CA -0.875 61.218 62.100 -0.011 0.000 1.009 248 T CB 2.255 71.117 68.868 -0.011 0.000 0.983 248 T HN 0.673 nan 8.240 nan 0.000 0.455 249 A N 3.001 125.829 122.820 0.013 0.000 2.414 249 A HA 0.778 5.100 4.320 0.003 0.000 0.286 249 A C -0.417 177.200 177.584 0.054 0.000 1.073 249 A CA -0.973 51.103 52.037 0.065 0.000 0.727 249 A CB 1.087 20.158 19.000 0.118 0.000 1.215 249 A HN 0.817 nan 8.150 nan 0.000 0.430 250 R N 1.194 121.733 120.500 0.065 0.000 2.604 250 R HA 0.409 4.751 4.340 0.003 0.000 0.281 250 R C -1.466 174.843 176.300 0.014 0.000 1.020 250 R CA -0.668 55.451 56.100 0.031 0.000 0.899 250 R CB 1.731 32.045 30.300 0.023 0.000 1.205 250 R HN 0.726 nan 8.270 nan 0.000 0.450 251 Y N 2.521 122.732 120.300 -0.148 0.000 2.811 251 Y HA -0.162 4.389 4.550 0.003 0.000 0.334 251 Y C 1.791 177.494 175.900 -0.330 0.000 1.247 251 Y CA 0.410 58.294 58.100 -0.360 0.000 1.526 251 Y CB 0.412 38.235 38.460 -1.063 0.000 1.284 251 Y HN 0.569 nan 8.280 nan 0.000 0.586 252 L N 2.471 123.636 121.223 -0.097 0.000 2.137 252 L HA -0.322 4.020 4.340 0.003 0.000 0.213 252 L C 1.780 178.631 176.870 -0.032 0.000 1.085 252 L CA 1.500 56.297 54.840 -0.072 0.000 0.760 252 L CB -0.775 41.239 42.059 -0.075 0.000 0.893 252 L HN 0.823 nan 8.230 nan 0.000 0.434 253 Y N -0.823 119.506 120.300 0.048 0.000 2.578 253 Y HA 0.405 4.956 4.550 0.003 0.000 0.297 253 Y C 1.422 177.350 175.900 0.046 0.000 1.176 253 Y CA -0.341 57.754 58.100 -0.008 0.000 1.315 253 Y CB -0.986 37.423 38.460 -0.085 0.000 1.031 253 Y HN 0.071 nan 8.280 nan 0.000 0.524 254 G N -0.260 108.595 108.800 0.091 0.000 2.142 254 G HA2 -0.197 3.764 3.960 0.003 0.000 0.225 254 G HA3 -0.197 3.764 3.960 0.003 0.000 0.225 254 G C -0.427 174.538 174.900 0.108 0.000 1.015 254 G CA 0.004 45.161 45.100 0.096 0.000 0.716 254 G HN 0.345 nan 8.290 nan 0.000 0.508 255 E N 0.109 120.374 120.200 0.108 0.000 2.299 255 E HA 0.445 4.797 4.350 0.003 0.000 0.265 255 E C 0.169 176.838 176.600 0.114 0.000 0.911 255 E CA -0.817 55.633 56.400 0.084 0.000 0.789 255 E CB 1.070 30.833 29.700 0.105 0.000 1.246 255 E HN 0.503 nan 8.360 nan 0.000 0.427 256 E N 0.464 120.699 120.200 0.058 0.000 2.360 256 E HA 0.200 4.552 4.350 0.003 0.000 0.269 256 E C -0.331 176.357 176.600 0.146 0.000 1.022 256 E CA -0.197 56.242 56.400 0.067 0.000 0.887 256 E CB 1.157 30.866 29.700 0.014 0.000 0.990 256 E HN 0.046 nan 8.360 nan 0.000 0.426 257 V N 2.825 122.773 119.914 0.056 0.000 2.686 257 V HA 0.133 4.254 4.120 0.003 0.000 0.295 257 V C -0.043 176.027 176.094 -0.040 0.000 1.057 257 V CA -0.134 62.137 62.300 -0.049 0.000 1.012 257 V CB 1.683 33.270 31.823 -0.393 0.000 1.006 257 V HN 0.668 nan 8.190 nan 0.000 0.477 258 E N 1.566 121.749 120.200 -0.028 0.000 2.222 258 E HA 0.726 5.078 4.350 0.003 0.000 0.267 258 E C 0.025 176.584 176.600 -0.068 0.000 0.884 258 E CA 0.399 56.787 56.400 -0.020 0.000 0.764 258 E CB 1.811 31.535 29.700 0.040 0.000 1.169 258 E HN 0.879 nan 8.360 nan 0.000 0.413 259 G N 1.151 109.912 108.800 -0.065 0.000 2.441 259 G HA2 0.326 4.288 3.960 0.003 0.000 0.225 259 G HA3 0.326 4.288 3.960 0.003 0.000 0.225 259 G C -1.539 173.284 174.900 -0.128 0.000 1.200 259 G CA -0.121 44.931 45.100 -0.080 0.000 0.947 259 G HN 0.507 nan 8.290 nan 0.000 0.484 260 V N 0.286 120.075 119.914 -0.209 0.000 2.760 260 V HA 0.820 4.942 4.120 0.003 0.000 0.309 260 V C -0.153 175.699 176.094 -0.404 0.000 1.077 260 V CA -0.082 61.986 62.300 -0.387 0.000 0.910 260 V CB 1.392 32.770 31.823 -0.742 0.000 1.008 260 V HN 1.872 nan 8.190 nan 0.000 0.424 261 A N 3.973 126.572 122.820 -0.369 0.000 2.374 261 A HA 0.905 5.226 4.320 0.003 0.000 0.305 261 A C -1.262 176.204 177.584 -0.198 0.000 1.053 261 A CA -0.392 51.442 52.037 -0.338 0.000 0.726 261 A CB 0.936 19.818 19.000 -0.196 0.000 1.229 261 A HN 0.535 nan 8.150 nan 0.000 0.431 262 F N 2.024 121.820 119.950 -0.257 0.000 2.424 262 F HA 0.488 5.017 4.527 0.003 0.000 0.356 262 F C 0.202 175.730 175.800 -0.453 0.000 1.110 262 F CA -1.132 56.615 58.000 -0.422 0.000 1.161 262 F CB 1.189 39.814 39.000 -0.625 0.000 1.115 262 F HN 0.203 nan 8.300 nan 0.000 0.507 263 V N 5.597 125.340 119.914 -0.284 0.000 2.448 263 V HA 0.488 4.609 4.120 0.003 0.000 0.295 263 V C -0.577 175.167 176.094 -0.583 0.000 1.025 263 V CA -0.796 61.238 62.300 -0.442 0.000 0.859 263 V CB 1.840 33.360 31.823 -0.506 0.000 0.988 263 V HN 0.564 nan 8.190 nan 0.000 0.431 264 L N 5.140 126.034 121.223 -0.550 0.000 2.341 264 L HA 0.784 5.126 4.340 0.003 0.000 0.278 264 L C -1.227 175.336 176.870 -0.512 0.000 1.005 264 L CA 0.150 54.731 54.840 -0.431 0.000 0.818 264 L CB 1.374 43.326 42.059 -0.179 0.000 1.259 264 L HN 0.391 nan 8.230 nan 0.000 0.418 265 F N 2.974 122.768 119.950 -0.261 0.000 2.432 265 F HA 0.926 5.455 4.527 0.003 0.000 0.329 265 F C 1.023 176.456 175.800 -0.612 0.000 1.076 265 F CA 0.124 57.855 58.000 -0.449 0.000 1.018 265 F CB 2.004 40.714 39.000 -0.483 0.000 1.201 265 F HN 0.733 nan 8.300 nan 0.000 0.489 266 G N 0.042 108.313 108.800 -0.881 0.000 2.600 266 G HA2 0.587 4.549 3.960 0.003 0.000 0.293 266 G HA3 0.587 4.549 3.960 0.003 0.000 0.293 266 G C -2.340 172.033 174.900 -0.879 0.000 1.408 266 G CA -0.704 43.800 45.100 -0.992 0.000 0.782 266 G HN 0.496 nan 8.290 nan 0.000 0.482 267 V N 0.007 119.803 119.914 -0.197 0.000 2.735 267 V HA 0.585 4.707 4.120 0.003 0.000 0.310 267 V C -0.274 175.988 176.094 0.279 0.000 1.061 267 V CA -0.921 61.425 62.300 0.076 0.000 0.913 267 V CB 2.047 33.956 31.823 0.143 0.000 1.005 267 V HN 0.685 nan 8.190 nan 0.000 0.428 268 K N 4.490 125.061 120.400 0.286 0.000 2.300 268 K HA 0.497 4.819 4.320 0.003 0.000 0.264 268 K C -0.125 176.569 176.600 0.156 0.000 1.083 268 K CA -0.456 55.973 56.287 0.235 0.000 0.958 268 K CB 0.503 33.133 32.500 0.217 0.000 1.318 268 K HN 0.740 nan 8.250 nan 0.000 0.448 269 I N 2.131 122.724 120.570 0.039 0.000 2.349 269 I HA 0.091 4.263 4.170 0.003 0.000 0.302 269 I C -0.287 175.922 176.117 0.154 0.000 1.180 269 I CA -0.550 60.749 61.300 -0.002 0.000 1.405 269 I CB -0.345 37.545 38.000 -0.183 0.000 1.474 269 I HN 0.646 nan 8.210 nan 0.000 0.632 270 D N 4.062 124.615 120.400 0.256 0.000 4.134 270 D HA -0.291 4.351 4.640 0.003 0.000 0.141 270 D C 0.428 176.778 176.300 0.083 0.000 0.779 270 D CA 2.159 56.243 54.000 0.140 0.000 1.126 270 D CB -0.568 40.301 40.800 0.116 0.000 0.523 270 D HN 0.692 nan 8.370 nan 0.000 0.513 271 D N 1.457 121.891 120.400 0.057 0.000 2.460 271 D HA 0.547 5.189 4.640 0.003 0.000 0.229 271 D C -0.143 176.171 176.300 0.024 0.000 1.170 271 D CA 0.461 54.478 54.000 0.029 0.000 0.827 271 D CB -0.041 40.771 40.800 0.020 0.000 0.973 271 D HN 0.451 nan 8.370 nan 0.000 0.496 272 A N 0.104 122.947 122.820 0.040 0.000 2.454 272 A HA 0.637 4.958 4.320 0.003 0.000 0.302 272 A C -0.048 177.572 177.584 0.060 0.000 1.079 272 A CA -0.742 51.318 52.037 0.038 0.000 0.731 272 A CB 2.290 21.315 19.000 0.041 0.000 1.299 272 A HN -0.099 nan 8.150 nan 0.000 0.413 273 K N 0.294 120.736 120.400 0.070 0.000 2.258 273 K HA 0.680 5.001 4.320 0.003 0.000 0.236 273 K C -1.053 175.673 176.600 0.210 0.000 1.008 273 K CA -0.722 55.663 56.287 0.165 0.000 0.869 273 K CB 1.895 34.437 32.500 0.069 0.000 1.171 273 K HN 0.554 nan 8.250 nan 0.000 0.447 274 K N 0.841 121.431 120.400 0.317 0.000 2.695 274 K HA 0.201 4.523 4.320 0.003 0.000 0.255 274 K C -1.281 175.447 176.600 0.213 0.000 1.016 274 K CA -0.160 56.281 56.287 0.257 0.000 0.928 274 K CB 1.726 34.415 32.500 0.315 0.000 1.235 274 K HN 0.531 nan 8.250 nan 0.000 0.467 275 S N 2.576 118.378 115.700 0.171 0.000 2.573 275 S HA 0.189 4.661 4.470 0.003 0.000 0.277 275 S C 0.698 175.275 174.600 -0.038 0.000 1.346 275 S CA -0.112 58.146 58.200 0.096 0.000 1.034 275 S CB 0.311 63.614 63.200 0.171 0.000 0.879 275 S HN 0.452 nan 8.310 nan 0.000 0.528 276 I N 3.132 123.635 120.570 -0.112 0.000 2.682 276 I HA 0.181 4.353 4.170 0.003 0.000 0.302 276 I C -1.890 174.180 176.117 -0.078 0.000 1.180 276 I CA -1.971 59.222 61.300 -0.179 0.000 1.146 276 I CB 0.053 37.901 38.000 -0.252 0.000 1.756 276 I HN 0.389 nan 8.210 nan 0.000 0.559 277 P HA -0.257 nan 4.420 nan 0.000 0.221 277 P C 0.784 178.093 177.300 0.016 0.000 1.160 277 P CA 1.808 64.937 63.100 0.049 0.000 0.933 277 P CB 0.101 31.805 31.700 0.007 0.000 0.793 278 D N -1.304 119.080 120.400 -0.027 0.000 2.309 278 D HA -0.111 4.530 4.640 0.003 0.000 0.212 278 D C 1.839 178.121 176.300 -0.029 0.000 0.968 278 D CA 1.365 55.347 54.000 -0.029 0.000 0.882 278 D CB -0.749 40.029 40.800 -0.036 0.000 0.918 278 D HN 0.292 nan 8.370 nan 0.000 0.503 279 S N 0.259 115.943 115.700 -0.027 0.000 2.515 279 S HA -0.079 4.392 4.470 0.003 0.000 0.231 279 S C 0.923 175.499 174.600 -0.042 0.000 0.987 279 S CA -0.343 57.866 58.200 0.015 0.000 0.936 279 S CB -0.735 62.518 63.200 0.089 0.000 0.766 279 S HN 0.363 nan 8.310 nan 0.000 0.528 280 L N 3.023 124.188 121.223 -0.097 0.000 2.433 280 L HA 0.571 4.913 4.340 0.003 0.000 0.275 280 L C -0.381 176.355 176.870 -0.223 0.000 1.128 280 L CA 0.342 55.054 54.840 -0.213 0.000 0.875 280 L CB 0.181 42.127 42.059 -0.189 0.000 1.171 280 L HN 0.303 nan 8.230 nan 0.000 0.463 281 T N 2.038 116.434 114.554 -0.264 0.000 2.883 281 T HA 0.519 4.870 4.350 0.003 0.000 0.301 281 T C -0.573 174.007 174.700 -0.199 0.000 1.158 281 T CA -0.999 60.977 62.100 -0.206 0.000 1.007 281 T CB 1.403 70.198 68.868 -0.120 0.000 1.186 281 T HN 0.833 nan 8.240 nan 0.000 0.499 282 R N 0.725 121.129 120.500 -0.161 0.000 2.460 282 R HA 0.720 5.062 4.340 0.003 0.000 0.303 282 R C -1.604 174.605 176.300 -0.152 0.000 0.968 282 R CA -0.802 55.253 56.100 -0.075 0.000 0.889 282 R CB 0.557 30.798 30.300 -0.098 0.000 1.123 282 R HN 0.637 nan 8.270 nan 0.000 0.455 283 I N 5.550 126.017 120.570 -0.172 0.000 2.607 283 I HA 0.319 4.491 4.170 0.003 0.000 0.290 283 I C -2.422 173.558 176.117 -0.229 0.000 1.129 283 I CA -2.340 58.849 61.300 -0.185 0.000 1.042 283 I CB 2.284 40.213 38.000 -0.119 0.000 1.242 283 I HN 0.523 nan 8.210 nan 0.000 0.421 284 P HA 0.273 nan 4.420 nan 0.000 0.276 284 P C -0.722 176.527 177.300 -0.085 0.000 1.264 284 P CA -0.142 62.872 63.100 -0.144 0.000 0.769 284 P CB 0.207 31.902 31.700 -0.008 0.000 0.840 285 I N 5.741 126.255 120.570 -0.094 0.000 2.322 285 I HA 0.153 4.324 4.170 0.003 0.000 0.292 285 I C 0.249 176.343 176.117 -0.038 0.000 1.060 285 I CA 0.224 61.485 61.300 -0.065 0.000 1.309 285 I CB -0.211 37.743 38.000 -0.078 0.000 1.415 285 I HN 0.167 nan 8.210 nan 0.000 0.492 286 I N 5.301 125.859 120.570 -0.021 0.000 2.474 286 I HA 0.269 4.441 4.170 0.003 0.000 0.294 286 I C 0.298 176.410 176.117 -0.009 0.000 1.005 286 I CA -0.608 60.688 61.300 -0.007 0.000 1.113 286 I CB 1.314 39.316 38.000 0.002 0.000 1.289 286 I HN 0.501 nan 8.210 nan 0.000 0.436 287 D N 5.135 125.532 120.400 -0.005 0.000 2.702 287 D HA -0.198 4.443 4.640 0.003 0.000 0.233 287 D C 1.346 177.641 176.300 -0.007 0.000 1.164 287 D CA 1.601 55.597 54.000 -0.006 0.000 0.638 287 D CB -0.836 39.958 40.800 -0.011 0.000 1.041 287 D HN 1.139 nan 8.370 nan 0.000 0.422 288 G N -0.887 107.907 108.800 -0.010 0.000 2.205 288 G HA2 -0.302 3.660 3.960 0.003 0.000 0.261 288 G HA3 -0.302 3.660 3.960 0.003 0.000 0.261 288 G C -0.038 174.853 174.900 -0.015 0.000 0.980 288 G CA 0.512 45.605 45.100 -0.012 0.000 0.632 288 G HN 0.482 nan 8.290 nan 0.000 0.533 289 D N 0.187 120.576 120.400 -0.017 0.000 2.299 289 D HA 0.708 5.349 4.640 0.003 0.000 0.243 289 D C 0.495 176.781 176.300 -0.023 0.000 0.982 289 D CA 0.848 54.837 54.000 -0.018 0.000 0.924 289 D CB 1.528 42.320 40.800 -0.014 0.000 1.238 289 D HN 1.098 nan 8.370 nan 0.000 0.484 290 G N -0.006 108.780 108.800 -0.023 0.000 2.429 290 G HA2 0.377 4.338 3.960 0.003 0.000 0.300 290 G HA3 0.377 4.338 3.960 0.003 0.000 0.300 290 G C -1.584 173.305 174.900 -0.019 0.000 1.598 290 G CA -0.923 44.162 45.100 -0.026 0.000 0.863 290 G HN 0.346 nan 8.290 nan 0.000 0.614 291 K N 0.306 120.702 120.400 -0.008 0.000 2.206 291 K HA 0.804 5.126 4.320 0.003 0.000 0.264 291 K C -0.068 176.550 176.600 0.031 0.000 0.967 291 K CA -0.226 56.072 56.287 0.019 0.000 0.844 291 K CB 1.682 34.200 32.500 0.029 0.000 1.099 291 K HN 1.072 nan 8.250 nan 0.000 0.441 292 A N 3.453 126.303 122.820 0.049 0.000 2.273 292 A HA 0.468 4.790 4.320 0.003 0.000 0.315 292 A C -0.857 176.843 177.584 0.194 0.000 1.256 292 A CA -0.629 51.439 52.037 0.053 0.000 0.851 292 A CB 0.814 19.776 19.000 -0.062 0.000 1.172 292 A HN 0.730 nan 8.150 nan 0.000 0.508 293 T N 2.640 117.314 114.554 0.200 0.000 2.859 293 T HA 0.518 4.869 4.350 0.003 0.000 0.281 293 T C -0.522 174.271 174.700 0.155 0.000 1.005 293 T CA -0.311 61.890 62.100 0.169 0.000 1.025 293 T CB 1.221 70.180 68.868 0.152 0.000 0.977 293 T HN 0.629 nan 8.240 nan 0.000 0.458 294 L N 2.787 123.860 121.223 -0.250 0.000 2.307 294 L HA 0.746 5.087 4.340 0.003 0.000 0.284 294 L C -0.437 176.299 176.870 -0.224 0.000 1.023 294 L CA -0.821 53.734 54.840 -0.474 0.000 0.810 294 L CB 1.092 42.242 42.059 -1.516 0.000 1.231 294 L HN 0.324 nan 8.230 nan 0.000 0.423 295 K N 2.778 123.119 120.400 -0.098 0.000 2.183 295 K HA 0.356 4.678 4.320 0.003 0.000 0.274 295 K C 0.891 177.528 176.600 0.062 0.000 1.009 295 K CA -0.301 55.980 56.287 -0.010 0.000 0.888 295 K CB 1.439 33.946 32.500 0.011 0.000 1.078 295 K HN 0.588 nan 8.250 nan 0.000 0.459 296 R N 2.298 122.872 120.500 0.124 0.000 2.103 296 R HA -0.159 4.183 4.340 0.003 0.000 0.242 296 R C 0.352 176.762 176.300 0.184 0.000 1.142 296 R CA 2.312 58.547 56.100 0.225 0.000 0.960 296 R CB -0.390 30.008 30.300 0.164 0.000 0.858 296 R HN 0.845 nan 8.270 nan 0.000 0.439 297 D N -1.602 118.861 120.400 0.105 0.000 2.117 297 D HA -0.104 4.538 4.640 0.003 0.000 0.198 297 D C 1.680 178.025 176.300 0.076 0.000 0.982 297 D CA 1.959 56.005 54.000 0.076 0.000 0.828 297 D CB -0.455 40.373 40.800 0.047 0.000 0.967 297 D HN 0.247 nan 8.370 nan 0.000 0.464 298 T N 0.693 115.283 114.554 0.060 0.000 2.720 298 T HA -0.196 4.156 4.350 0.003 0.000 0.268 298 T C 1.602 176.346 174.700 0.073 0.000 1.037 298 T CA 0.690 62.806 62.100 0.028 0.000 1.144 298 T CB -0.478 68.382 68.868 -0.013 0.000 0.864 298 T HN 0.044 nan 8.240 nan 0.000 0.444 299 F N 2.829 122.742 119.950 -0.062 0.000 2.043 299 F HA -0.110 4.419 4.527 0.003 0.000 0.297 299 F C 2.412 178.200 175.800 -0.020 0.000 1.121 299 F CA 1.151 59.115 58.000 -0.060 0.000 1.199 299 F CB -0.623 38.380 39.000 0.005 0.000 0.968 299 F HN 0.021 nan 8.300 nan 0.000 0.478 300 R N -0.522 120.107 120.500 0.216 0.000 2.083 300 R HA -0.148 4.194 4.340 0.003 0.000 0.237 300 R C 2.312 178.660 176.300 0.080 0.000 1.137 300 R CA 1.657 57.811 56.100 0.090 0.000 0.951 300 R CB -1.055 29.274 30.300 0.049 0.000 0.851 300 R HN 0.195 nan 8.270 nan 0.000 0.434 301 S N 0.264 115.996 115.700 0.053 0.000 2.500 301 S HA -0.104 4.368 4.470 0.003 0.000 0.239 301 S C 1.720 176.295 174.600 -0.041 0.000 0.989 301 S CA 1.039 59.245 58.200 0.010 0.000 0.951 301 S CB -0.098 63.103 63.200 0.002 0.000 0.759 301 S HN 0.176 nan 8.310 nan 0.000 0.523 302 R N 0.070 120.508 120.500 -0.103 0.000 2.175 302 R HA 0.222 4.564 4.340 0.003 0.000 0.202 302 R C -0.401 175.675 176.300 -0.374 0.000 1.018 302 R CA 0.920 56.807 56.100 -0.354 0.000 1.029 302 R CB 0.002 29.917 30.300 -0.643 0.000 0.959 302 R HN 0.240 nan 8.270 nan 0.000 0.480 303 F N 1.158 121.197 119.950 0.148 0.000 2.623 303 F HA 0.432 4.961 4.527 0.003 0.000 0.361 303 F C -1.808 174.010 175.800 0.031 0.000 1.469 303 F CA -2.835 55.225 58.000 0.100 0.000 1.126 303 F CB 1.610 40.708 39.000 0.162 0.000 1.221 303 F HN -0.014 nan 8.300 nan 0.000 0.536 304 P HA -0.157 nan 4.420 nan 0.000 0.222 304 P C 0.556 177.906 177.300 0.083 0.000 1.147 304 P CA 0.938 64.095 63.100 0.096 0.000 0.790 304 P CB 0.277 32.018 31.700 0.067 0.000 0.780 305 N N 1.035 119.800 118.700 0.108 0.000 2.671 305 N HA -0.002 4.739 4.740 0.003 0.000 0.274 305 N C 1.209 176.745 175.510 0.044 0.000 1.188 305 N CA -0.184 52.907 53.050 0.068 0.000 1.065 305 N CB -0.568 37.959 38.487 0.067 0.000 1.415 305 N HN -0.189 nan 8.380 nan 0.000 0.511 306 L N 2.860 124.099 121.223 0.027 0.000 2.051 306 L HA -0.208 4.134 4.340 0.003 0.000 0.214 306 L C 2.016 178.888 176.870 0.003 0.000 1.076 306 L CA 1.548 56.391 54.840 0.006 0.000 0.758 306 L CB -1.240 40.817 42.059 -0.003 0.000 0.890 306 L HN 0.629 nan 8.230 nan 0.000 0.433 307 N N 0.115 118.820 118.700 0.009 0.000 2.322 307 N HA -0.250 4.492 4.740 0.003 0.000 0.189 307 N C 1.551 177.068 175.510 0.012 0.000 1.012 307 N CA 1.620 54.679 53.050 0.014 0.000 0.880 307 N CB 0.106 38.603 38.487 0.016 0.000 0.967 307 N HN 0.604 nan 8.380 nan 0.000 0.439 308 E N -0.064 120.122 120.200 -0.023 0.000 2.158 308 E HA -0.016 4.335 4.350 0.003 0.000 0.191 308 E C 2.025 178.567 176.600 -0.098 0.000 0.982 308 E CA 0.415 56.769 56.400 -0.076 0.000 0.823 308 E CB 0.094 29.703 29.700 -0.152 0.000 0.766 308 E HN 0.416 nan 8.360 nan 0.000 0.468 309 L N 1.013 122.191 121.223 -0.076 0.000 2.217 309 L HA -0.013 4.329 4.340 0.003 0.000 0.211 309 L C 0.876 177.923 176.870 0.295 0.000 1.107 309 L CA 0.060 54.908 54.840 0.012 0.000 0.783 309 L CB -0.480 41.592 42.059 0.022 0.000 0.919 309 L HN -0.066 nan 8.230 nan 0.000 0.442 310 V N 2.360 122.382 119.914 0.181 0.000 2.795 310 V HA -0.112 4.010 4.120 0.003 0.000 0.298 310 V C 1.356 177.520 176.094 0.116 0.000 1.107 310 V CA 1.307 63.690 62.300 0.138 0.000 1.270 310 V CB -0.994 30.878 31.823 0.082 0.000 0.831 310 V HN 0.726 nan 8.190 nan 0.000 0.473 311 G N 3.608 112.452 108.800 0.073 0.000 2.351 311 G HA2 -0.241 3.721 3.960 0.003 0.000 0.297 311 G HA3 -0.241 3.721 3.960 0.003 0.000 0.297 311 G C -0.252 174.495 174.900 -0.256 0.000 1.054 311 G CA 0.638 45.721 45.100 -0.029 0.000 1.123 311 G HN 1.054 nan 8.290 nan 0.000 0.512 312 H N -1.000 118.147 119.070 0.128 0.000 3.747 312 H HA 0.860 5.418 4.556 0.003 0.000 0.343 312 H C 0.400 175.772 175.328 0.073 0.000 1.692 312 H CA 0.025 56.124 56.048 0.085 0.000 1.262 312 H CB 1.441 31.234 29.762 0.052 0.000 1.557 312 H HN 0.577 nan 8.280 nan 0.000 0.722 313 T N -0.005 114.682 114.554 0.223 0.000 2.928 313 T HA 0.428 4.780 4.350 0.003 0.000 0.296 313 T C -1.116 173.684 174.700 0.166 0.000 1.000 313 T CA -0.838 61.332 62.100 0.116 0.000 0.989 313 T CB 0.957 69.829 68.868 0.007 0.000 1.005 313 T HN 0.243 nan 8.240 nan 0.000 0.442 314 L N 4.065 125.381 121.223 0.155 0.000 2.426 314 L HA 0.558 4.900 4.340 0.003 0.000 0.271 314 L C -0.471 176.460 176.870 0.101 0.000 1.169 314 L CA -0.160 54.709 54.840 0.048 0.000 0.836 314 L CB -0.107 41.979 42.059 0.046 0.000 1.112 314 L HN 0.828 nan 8.230 nan 0.000 0.465 315 Y N 2.123 122.426 120.300 0.006 0.000 2.492 315 Y HA 0.818 5.370 4.550 0.003 0.000 0.346 315 Y C -0.868 175.037 175.900 0.009 0.000 0.997 315 Y CA -1.780 56.321 58.100 0.002 0.000 1.025 315 Y CB 1.194 39.654 38.460 -0.001 0.000 1.263 315 Y HN 0.665 nan 8.280 nan 0.000 0.454 316 A N 2.866 125.804 122.820 0.197 0.000 2.277 316 A HA 0.582 4.904 4.320 0.003 0.000 0.318 316 A C -0.695 176.910 177.584 0.035 0.000 1.339 316 A CA -0.687 51.370 52.037 0.034 0.000 0.875 316 A CB 0.315 19.297 19.000 -0.031 0.000 1.158 316 A HN 0.711 nan 8.150 nan 0.000 0.514 317 S N 1.470 117.194 115.700 0.040 0.000 2.422 317 S HA 0.369 4.840 4.470 0.003 0.000 0.283 317 S C -0.311 174.216 174.600 -0.122 0.000 1.163 317 S CA -0.122 58.080 58.200 0.005 0.000 1.054 317 S CB 0.372 63.629 63.200 0.095 0.000 0.967 317 S HN 0.770 nan 8.310 nan 0.000 0.499 318 V N 5.721 125.573 119.914 -0.103 0.000 2.448 318 V HA 0.564 4.686 4.120 0.003 0.000 0.295 318 V C -0.399 175.650 176.094 -0.075 0.000 1.025 318 V CA -0.236 61.988 62.300 -0.126 0.000 0.859 318 V CB 2.080 33.821 31.823 -0.137 0.000 0.988 318 V HN 0.843 nan 8.190 nan 0.000 0.431 319 T N 5.870 120.386 114.554 -0.064 0.000 2.786 319 T HA 0.586 4.938 4.350 0.003 0.000 0.283 319 T C -0.715 173.910 174.700 -0.124 0.000 0.992 319 T CA -0.286 61.786 62.100 -0.046 0.000 0.954 319 T CB 1.526 70.435 68.868 0.068 0.000 0.934 319 T HN 0.462 nan 8.240 nan 0.000 0.440 320 V N 4.438 124.310 119.914 -0.070 0.000 2.769 320 V HA 0.788 4.910 4.120 0.003 0.000 0.312 320 V C -0.826 175.287 176.094 0.031 0.000 1.061 320 V CA -1.005 61.265 62.300 -0.049 0.000 0.931 320 V CB 2.125 33.982 31.823 0.057 0.000 1.010 320 V HN 0.944 nan 8.190 nan 0.000 0.433 321 M N 4.134 123.690 119.600 -0.074 0.000 2.238 321 M HA 0.357 4.839 4.480 0.003 0.000 0.278 321 M C -0.462 175.759 176.300 -0.132 0.000 1.040 321 M CA -0.206 55.053 55.300 -0.067 0.000 0.969 321 M CB 1.914 34.449 32.600 -0.108 0.000 1.694 321 M HN 0.743 nan 8.290 nan 0.000 0.472 322 T N 1.735 116.155 114.554 -0.224 0.000 2.937 322 T HA 0.027 4.379 4.350 0.003 0.000 0.316 322 T C 1.170 175.842 174.700 -0.048 0.000 1.079 322 T CA 0.777 62.725 62.100 -0.252 0.000 1.131 322 T CB 0.651 69.334 68.868 -0.308 0.000 1.000 322 T HN 0.862 nan 8.240 nan 0.000 0.549 323 E N 2.435 122.631 120.200 -0.006 0.000 2.265 323 E HA -0.104 4.248 4.350 0.003 0.000 0.196 323 E C 1.923 178.582 176.600 0.098 0.000 0.996 323 E CA 1.612 58.068 56.400 0.093 0.000 0.832 323 E CB -0.607 29.150 29.700 0.096 0.000 0.756 323 E HN 0.599 nan 8.360 nan 0.000 0.491 324 S N -0.591 115.145 115.700 0.060 0.000 2.603 324 S HA 0.157 4.628 4.470 0.003 0.000 0.229 324 S C 1.874 176.511 174.600 0.062 0.000 0.972 324 S CA 0.262 58.495 58.200 0.055 0.000 0.935 324 S CB -0.610 62.618 63.200 0.048 0.000 0.769 324 S HN 0.730 nan 8.310 nan 0.000 0.536 325 G N 1.148 109.994 108.800 0.077 0.000 2.189 325 G HA2 -0.402 3.560 3.960 0.003 0.000 0.267 325 G HA3 -0.402 3.560 3.960 0.003 0.000 0.267 325 G C 1.112 176.072 174.900 0.099 0.000 0.975 325 G CA 1.176 46.333 45.100 0.094 0.000 0.644 325 G HN 1.155 nan 8.290 nan 0.000 0.537 326 S N -0.687 115.060 115.700 0.077 0.000 2.326 326 S HA 0.196 4.668 4.470 0.003 0.000 0.211 326 S C 0.714 175.367 174.600 0.088 0.000 1.031 326 S CA 1.466 59.715 58.200 0.082 0.000 0.985 326 S CB 0.232 63.483 63.200 0.086 0.000 0.961 326 S HN 0.343 nan 8.310 nan 0.000 0.436 327 D N 0.582 121.026 120.400 0.073 0.000 2.340 327 D HA 0.560 5.202 4.640 0.003 0.000 0.240 327 D C -0.853 175.541 176.300 0.157 0.000 1.001 327 D CA -0.418 53.652 54.000 0.116 0.000 0.888 327 D CB 1.808 42.701 40.800 0.155 0.000 1.310 327 D HN 0.495 nan 8.370 nan 0.000 0.474 328 M N 2.657 122.398 119.600 0.236 0.000 2.365 328 M HA 0.385 4.866 4.480 0.003 0.000 0.288 328 M C -1.987 174.403 176.300 0.149 0.000 1.152 328 M CA -0.675 54.761 55.300 0.227 0.000 0.948 328 M CB 1.554 34.197 32.600 0.072 0.000 1.729 328 M HN 0.200 nan 8.290 nan 0.000 0.487 329 V N 2.233 122.195 119.914 0.080 0.000 3.046 329 V HA 0.989 5.111 4.120 0.003 0.000 0.316 329 V C -0.883 175.164 176.094 -0.078 0.000 1.104 329 V CA -0.649 61.579 62.300 -0.119 0.000 1.006 329 V CB 1.603 33.121 31.823 -0.507 0.000 1.058 329 V HN 0.896 nan 8.190 nan 0.000 0.440 330 V N -0.478 119.390 119.914 -0.077 0.000 2.668 330 V HA 0.951 5.072 4.120 0.003 0.000 0.304 330 V C -0.254 175.792 176.094 -0.079 0.000 1.071 330 V CA 0.354 62.615 62.300 -0.066 0.000 0.894 330 V CB 0.784 32.579 31.823 -0.047 0.000 1.008 330 V HN 1.454 nan 8.190 nan 0.000 0.425 331 T N 0.442 114.945 114.554 -0.085 0.000 2.716 331 T HA 0.832 5.183 4.350 0.003 0.000 0.286 331 T C -0.889 173.769 174.700 -0.069 0.000 1.052 331 T CA -0.504 61.547 62.100 -0.082 0.000 1.024 331 T CB 2.475 71.286 68.868 -0.095 0.000 1.349 331 T HN 1.137 nan 8.240 nan 0.000 0.525 332 E N 0.424 120.587 120.200 -0.061 0.000 2.274 332 E HA 0.349 4.701 4.350 0.003 0.000 0.269 332 E C -1.348 175.241 176.600 -0.018 0.000 0.891 332 E CA -0.640 55.737 56.400 -0.038 0.000 0.784 332 E CB 1.795 31.460 29.700 -0.059 0.000 1.225 332 E HN 0.509 nan 8.360 nan 0.000 0.412 333 Q N 3.102 122.902 119.800 0.001 0.000 2.381 333 Q HA 0.206 4.547 4.340 0.003 0.000 0.243 333 Q C -0.933 175.108 176.000 0.067 0.000 1.154 333 Q CA 0.078 55.895 55.803 0.023 0.000 0.899 333 Q CB 0.459 29.202 28.738 0.009 0.000 1.396 333 Q HN 0.537 nan 8.270 nan 0.000 0.485 334 S N 1.850 117.585 115.700 0.059 0.000 2.748 334 S HA 0.789 5.260 4.470 0.003 0.000 0.299 334 S C 0.818 175.464 174.600 0.076 0.000 1.119 334 S CA -0.235 58.012 58.200 0.079 0.000 0.997 334 S CB 1.076 64.294 63.200 0.030 0.000 1.223 334 S HN 1.264 nan 8.310 nan 0.000 0.541 335 G N -0.131 108.699 108.800 0.050 0.000 2.212 335 G HA2 -0.205 3.757 3.960 0.003 0.000 0.267 335 G HA3 -0.205 3.757 3.960 0.003 0.000 0.267 335 G C 0.044 174.971 174.900 0.044 0.000 1.002 335 G CA 0.314 45.416 45.100 0.003 0.000 0.729 335 G HN 0.662 nan 8.290 nan 0.000 0.517 336 I N 1.504 122.144 120.570 0.117 0.000 2.517 336 I HA 0.159 4.331 4.170 0.003 0.000 0.285 336 I C 0.748 176.967 176.117 0.170 0.000 1.106 336 I CA -0.466 60.954 61.300 0.200 0.000 1.402 336 I CB 0.290 38.498 38.000 0.347 0.000 1.399 336 I HN 0.103 nan 8.210 nan 0.000 0.535 337 H N 7.074 126.263 119.070 0.198 0.000 2.527 337 H HA 0.400 4.958 4.556 0.003 0.000 0.321 337 H C -0.150 175.322 175.328 0.240 0.000 1.087 337 H CA -0.435 55.726 56.048 0.188 0.000 1.337 337 H CB 1.406 31.250 29.762 0.136 0.000 1.440 337 H HN 0.396 nan 8.280 nan 0.000 0.490 338 I N 3.110 123.914 120.570 0.390 0.000 2.331 338 I HA 0.452 4.623 4.170 0.003 0.000 0.292 338 I C 0.348 176.634 176.117 0.282 0.000 0.998 338 I CA -0.721 60.808 61.300 0.381 0.000 1.267 338 I CB 0.895 39.135 38.000 0.401 0.000 1.386 338 I HN 0.207 nan 8.210 nan 0.000 0.476 339 V N 1.976 122.028 119.914 0.230 0.000 3.187 339 V HA 0.730 4.852 4.120 0.003 0.000 0.303 339 V C 0.274 176.426 176.094 0.096 0.000 1.529 339 V CA -0.178 62.193 62.300 0.118 0.000 1.042 339 V CB 1.295 33.140 31.823 0.036 0.000 1.089 339 V HN 0.716 nan 8.190 nan 0.000 0.471 340 A N 0.288 123.109 122.820 0.001 0.000 2.169 340 A HA 0.599 4.921 4.320 0.003 0.000 0.210 340 A C 1.212 178.714 177.584 -0.138 0.000 1.168 340 A CA 0.915 52.907 52.037 -0.075 0.000 0.813 340 A CB -0.420 18.521 19.000 -0.097 0.000 0.861 340 A HN 1.896 nan 8.150 nan 0.000 0.481 341 S N -0.903 114.717 115.700 -0.135 0.000 2.503 341 S HA 0.594 5.065 4.470 0.003 0.000 0.301 341 S C -2.540 171.796 174.600 -0.439 0.000 1.087 341 S CA -1.272 56.800 58.200 -0.213 0.000 1.042 341 S CB 1.963 65.062 63.200 -0.168 0.000 1.043 341 S HN -0.024 nan 8.310 nan 0.000 0.489 342 P HA 0.244 nan 4.420 nan 0.000 0.240 342 P C -0.873 175.708 177.300 -1.199 0.000 1.190 342 P CA 0.648 62.959 63.100 -1.316 0.000 0.781 342 P CB -0.085 30.940 31.700 -1.125 0.000 0.931 343 Y N -2.174 117.929 120.300 -0.328 0.000 2.805 343 Y HA 0.641 5.193 4.550 0.003 0.000 0.323 343 Y C 0.127 175.868 175.900 -0.265 0.000 1.279 343 Y CA -1.024 56.916 58.100 -0.268 0.000 1.103 343 Y CB 1.169 39.480 38.460 -0.248 0.000 1.324 343 Y HN -0.455 nan 8.280 nan 0.000 0.498 344 Q N 2.273 122.011 119.800 -0.103 0.000 2.263 344 Q HA 0.428 4.770 4.340 0.003 0.000 0.262 344 Q C -1.432 174.266 176.000 -0.504 0.000 0.984 344 Q CA -0.431 55.190 55.803 -0.304 0.000 0.813 344 Q CB 2.644 31.215 28.738 -0.279 0.000 1.299 344 Q HN 0.667 nan 8.270 nan 0.000 0.428 345 I N 0.299 120.540 120.570 -0.548 0.000 2.359 345 I HA 0.581 4.753 4.170 0.003 0.000 0.294 345 I C -0.463 175.254 176.117 -0.667 0.000 0.987 345 I CA -0.652 60.318 61.300 -0.550 0.000 1.225 345 I CB 1.344 39.095 38.000 -0.414 0.000 1.366 345 I HN 0.413 nan 8.210 nan 0.000 0.466 346 H N 5.289 124.221 119.070 -0.229 0.000 2.679 346 H HA 0.415 4.973 4.556 0.003 0.000 0.360 346 H C -0.771 174.423 175.328 -0.223 0.000 1.105 346 H CA -0.823 55.149 56.048 -0.127 0.000 1.196 346 H CB 2.275 32.122 29.762 0.141 0.000 1.636 346 H HN 0.623 nan 8.280 nan 0.000 0.531 347 F N 0.110 120.159 119.950 0.165 0.000 2.706 347 F HA -0.026 4.502 4.527 0.003 0.000 0.308 347 F C 2.401 178.217 175.800 0.026 0.000 1.095 347 F CA 0.377 58.423 58.000 0.077 0.000 1.244 347 F CB 0.336 39.360 39.000 0.041 0.000 1.063 347 F HN 0.503 nan 8.300 nan 0.000 0.582 348 T N -2.232 112.433 114.554 0.186 0.000 2.946 348 T HA -0.237 4.115 4.350 0.003 0.000 0.271 348 T C 1.764 176.438 174.700 -0.043 0.000 1.104 348 T CA 1.319 63.436 62.100 0.029 0.000 1.114 348 T CB -0.333 68.497 68.868 -0.064 0.000 0.867 348 T HN 0.167 nan 8.240 nan 0.000 0.513 349 K N 0.621 121.013 120.400 -0.014 0.000 2.487 349 K HA 0.146 4.467 4.320 0.003 0.000 0.192 349 K C 0.538 177.190 176.600 0.087 0.000 1.027 349 K CA 0.202 56.474 56.287 -0.025 0.000 1.054 349 K CB 0.263 32.758 32.500 -0.009 0.000 0.824 349 K HN 0.312 nan 8.250 nan 0.000 0.510 350 T N 1.759 116.388 114.554 0.125 0.000 2.812 350 T HA 0.353 4.705 4.350 0.003 0.000 0.282 350 T C -2.818 171.979 174.700 0.162 0.000 0.990 350 T CA -2.941 59.259 62.100 0.166 0.000 0.960 350 T CB 1.148 70.141 68.868 0.209 0.000 0.948 350 T HN -0.186 nan 8.240 nan 0.000 0.438 351 P HA 0.205 nan 4.420 nan 0.000 0.269 351 P C -0.173 177.141 177.300 0.023 0.000 1.211 351 P CA -0.181 62.999 63.100 0.135 0.000 0.781 351 P CB 0.472 32.304 31.700 0.219 0.000 0.877 352 K N 0.081 120.353 120.400 -0.213 0.000 2.410 352 K HA 0.228 4.550 4.320 0.003 0.000 0.200 352 K C -0.665 175.461 176.600 -0.789 0.000 1.023 352 K CA 0.148 56.118 56.287 -0.527 0.000 1.149 352 K CB -0.258 31.833 32.500 -0.682 0.000 0.859 352 K HN 0.439 nan 8.250 nan 0.000 0.514 353 Y N -0.447 119.829 120.300 -0.040 0.000 2.524 353 Y HA 0.475 5.027 4.550 0.003 0.000 0.347 353 Y C -0.409 175.441 175.900 -0.084 0.000 1.005 353 Y CA -1.971 56.061 58.100 -0.112 0.000 1.025 353 Y CB 1.404 39.769 38.460 -0.158 0.000 1.275 353 Y HN -0.055 nan 8.280 nan 0.000 0.460 354 F N -1.135 118.774 119.950 -0.068 0.000 2.643 354 F HA 0.875 5.404 4.527 0.003 0.000 0.314 354 F C -1.650 174.078 175.800 -0.119 0.000 1.096 354 F CA -1.711 56.194 58.000 -0.159 0.000 0.953 354 F CB 1.485 40.232 39.000 -0.423 0.000 1.345 354 F HN 0.100 nan 8.300 nan 0.000 0.468 355 K N 2.706 123.129 120.400 0.038 0.000 2.292 355 K HA 0.460 4.782 4.320 0.003 0.000 0.270 355 K C -2.816 173.729 176.600 -0.092 0.000 1.062 355 K CA -2.102 54.025 56.287 -0.266 0.000 0.916 355 K CB 0.755 33.125 32.500 -0.217 0.000 1.166 355 K HN 0.265 nan 8.250 nan 0.000 0.458 356 P HA 0.020 nan 4.420 nan 0.000 0.264 356 P C 0.551 177.913 177.300 0.104 0.000 1.193 356 P CA 0.500 63.681 63.100 0.135 0.000 0.763 356 P CB 0.685 32.454 31.700 0.116 0.000 0.810 357 G N 1.744 110.620 108.800 0.126 0.000 2.176 357 G HA2 -0.277 3.684 3.960 0.003 0.000 0.252 357 G HA3 -0.277 3.684 3.960 0.003 0.000 0.252 357 G C -0.154 174.811 174.900 0.107 0.000 1.024 357 G CA 0.139 45.307 45.100 0.113 0.000 0.755 357 G HN 0.566 nan 8.290 nan 0.000 0.507 358 M N -0.463 119.192 119.600 0.091 0.000 2.433 358 M HA 0.502 4.984 4.480 0.003 0.000 0.290 358 M C -2.710 173.625 176.300 0.058 0.000 1.173 358 M CA -2.108 53.237 55.300 0.075 0.000 0.905 358 M CB 2.286 34.915 32.600 0.048 0.000 1.692 358 M HN -0.119 nan 8.290 nan 0.000 0.462 359 P HA 0.035 nan 4.420 nan 0.000 0.265 359 P C -1.912 175.398 177.300 0.016 0.000 1.222 359 P CA 0.252 63.387 63.100 0.057 0.000 0.767 359 P CB -0.111 31.633 31.700 0.074 0.000 0.801 360 Y N 3.970 124.224 120.300 -0.077 0.000 2.341 360 Y HA 0.209 4.761 4.550 0.003 0.000 0.340 360 Y C 0.310 176.192 175.900 -0.031 0.000 0.997 360 Y CA -1.258 56.787 58.100 -0.092 0.000 1.149 360 Y CB 0.919 39.325 38.460 -0.090 0.000 1.171 360 Y HN 0.384 nan 8.280 nan 0.000 0.494 361 E N 7.090 127.013 120.200 -0.461 0.000 2.044 361 E HA 0.275 4.627 4.350 0.003 0.000 0.282 361 E C -1.285 174.851 176.600 -0.773 0.000 1.031 361 E CA -0.736 55.393 56.400 -0.451 0.000 0.824 361 E CB 1.150 30.787 29.700 -0.104 0.000 1.076 361 E HN 0.655 nan 8.360 nan 0.000 0.395 362 L N 3.356 124.123 121.223 -0.759 0.000 2.349 362 L HA 0.235 4.576 4.340 0.003 0.000 0.275 362 L C -0.500 176.273 176.870 -0.162 0.000 1.115 362 L CA 0.409 54.975 54.840 -0.458 0.000 0.820 362 L CB 1.497 43.388 42.059 -0.279 0.000 1.135 362 L HN 0.504 nan 8.230 nan 0.000 0.445 363 T N 5.276 119.816 114.554 -0.024 0.000 2.977 363 T HA 0.403 4.754 4.350 0.003 0.000 0.346 363 T C -0.601 174.140 174.700 0.068 0.000 1.140 363 T CA -0.437 61.683 62.100 0.033 0.000 1.040 363 T CB 0.487 69.401 68.868 0.076 0.000 1.046 363 T HN 0.527 nan 8.240 nan 0.000 0.494 364 V N 2.058 121.981 119.914 0.015 0.000 2.607 364 V HA 0.643 4.764 4.120 0.003 0.000 0.289 364 V C -0.719 175.399 176.094 0.039 0.000 1.053 364 V CA -0.879 61.395 62.300 -0.042 0.000 0.996 364 V CB 0.658 32.404 31.823 -0.128 0.000 0.995 364 V HN 0.724 nan 8.190 nan 0.000 0.476 365 Y N 3.569 123.801 120.300 -0.114 0.000 2.338 365 Y HA 0.702 5.254 4.550 0.003 0.000 0.333 365 Y C -0.702 175.148 175.900 -0.084 0.000 0.968 365 Y CA -0.964 57.107 58.100 -0.048 0.000 1.123 365 Y CB 1.994 40.471 38.460 0.029 0.000 1.165 365 Y HN 0.571 nan 8.280 nan 0.000 0.452 366 V N 6.315 125.938 119.914 -0.484 0.000 2.284 366 V HA 0.252 4.373 4.120 0.003 0.000 0.274 366 V C -0.117 175.724 176.094 -0.422 0.000 1.023 366 V CA -0.533 61.522 62.300 -0.409 0.000 0.808 366 V CB 1.003 32.639 31.823 -0.312 0.000 1.035 366 V HN 0.877 nan 8.190 nan 0.000 0.445 367 T N 1.324 115.670 114.554 -0.347 0.000 2.856 367 T HA 0.353 4.705 4.350 0.003 0.000 0.292 367 T C 0.117 174.772 174.700 -0.074 0.000 0.980 367 T CA -0.511 61.480 62.100 -0.182 0.000 1.091 367 T CB 0.472 69.357 68.868 0.028 0.000 0.936 367 T HN 0.546 nan 8.240 nan 0.000 0.503 368 N N 3.920 122.598 118.700 -0.036 0.000 2.479 368 N HA 0.157 4.899 4.740 0.003 0.000 0.257 368 N C -1.584 173.893 175.510 -0.056 0.000 1.232 368 N CA -1.562 51.461 53.050 -0.045 0.000 0.920 368 N CB 0.707 39.193 38.487 -0.003 0.000 1.105 368 N HN 0.444 nan 8.380 nan 0.000 0.444 369 P HA -0.263 nan 4.420 nan 0.000 0.218 369 P C 0.360 177.479 177.300 -0.301 0.000 1.147 369 P CA 1.223 64.174 63.100 -0.248 0.000 0.827 369 P CB 0.084 31.626 31.700 -0.263 0.000 0.778 370 D N -1.936 118.463 120.400 -0.002 0.000 2.077 370 D HA -0.056 4.586 4.640 0.003 0.000 0.196 370 D C 1.813 178.173 176.300 0.099 0.000 0.986 370 D CA 2.187 56.280 54.000 0.155 0.000 0.829 370 D CB -1.032 39.898 40.800 0.216 0.000 0.983 370 D HN 0.297 nan 8.370 nan 0.000 0.453 371 G N -0.454 108.398 108.800 0.086 0.000 3.990 371 G HA2 -0.060 3.901 3.960 0.003 0.000 0.213 371 G HA3 -0.060 3.901 3.960 0.003 0.000 0.213 371 G C 0.284 175.249 174.900 0.108 0.000 0.849 371 G CA 0.389 45.554 45.100 0.108 0.000 0.857 371 G HN 0.659 nan 8.290 nan 0.000 0.484 372 S N 1.433 117.181 115.700 0.080 0.000 2.560 372 S HA 0.440 4.912 4.470 0.003 0.000 0.276 372 S C -2.484 172.119 174.600 0.006 0.000 1.350 372 S CA -0.238 57.998 58.200 0.060 0.000 1.024 372 S CB 1.063 64.293 63.200 0.050 0.000 0.864 372 S HN 0.147 nan 8.310 nan 0.000 0.536 373 P HA 0.472 nan 4.420 nan 0.000 0.279 373 P C -1.295 175.945 177.300 -0.100 0.000 1.239 373 P CA -0.444 62.575 63.100 -0.136 0.000 0.789 373 P CB 0.957 32.621 31.700 -0.061 0.000 0.933 374 A N 2.528 125.270 122.820 -0.131 0.000 2.304 374 A HA 0.719 5.041 4.320 0.003 0.000 0.314 374 A C -0.144 177.354 177.584 -0.142 0.000 1.187 374 A CA -0.631 51.373 52.037 -0.055 0.000 0.810 374 A CB 0.726 19.786 19.000 0.101 0.000 1.183 374 A HN 0.539 nan 8.150 nan 0.000 0.487 375 A N 1.527 124.228 122.820 -0.199 0.000 2.264 375 A HA 0.671 4.992 4.320 0.003 0.000 0.304 375 A C 0.456 177.844 177.584 -0.327 0.000 1.100 375 A CA 0.026 51.816 52.037 -0.412 0.000 0.839 375 A CB -0.277 18.268 19.000 -0.760 0.000 1.121 375 A HN 1.540 nan 8.150 nan 0.000 0.496 376 H N -2.266 116.782 119.070 -0.037 0.000 3.047 376 H HA -0.154 4.404 4.556 0.003 0.000 0.263 376 H C -0.327 174.985 175.328 -0.027 0.000 1.168 376 H CA 0.210 56.247 56.048 -0.018 0.000 1.152 376 H CB -2.132 27.640 29.762 0.017 0.000 1.278 376 H HN 0.323 nan 8.280 nan 0.000 0.339 377 V N 1.585 121.455 119.914 -0.074 0.000 2.455 377 V HA 0.209 4.331 4.120 0.003 0.000 0.273 377 V C -1.760 174.251 176.094 -0.139 0.000 1.045 377 V CA -1.423 60.739 62.300 -0.229 0.000 0.976 377 V CB 0.934 32.369 31.823 -0.646 0.000 0.993 377 V HN -0.014 nan 8.190 nan 0.000 0.475 378 P HA 0.377 nan 4.420 nan 0.000 0.278 378 P C -0.691 176.553 177.300 -0.094 0.000 1.238 378 P CA -0.133 62.934 63.100 -0.054 0.000 0.794 378 P CB 1.157 32.846 31.700 -0.019 0.000 0.955 379 V N 0.811 120.676 119.914 -0.083 0.000 3.001 379 V HA 0.910 5.032 4.120 0.003 0.000 0.314 379 V C -0.142 175.921 176.094 -0.052 0.000 1.099 379 V CA -1.144 61.102 62.300 -0.089 0.000 0.989 379 V CB 1.926 33.681 31.823 -0.113 0.000 1.040 379 V HN 0.492 nan 8.190 nan 0.000 0.434 380 V N -1.323 118.565 119.914 -0.043 0.000 3.147 380 V HA 0.906 5.028 4.120 0.003 0.000 0.306 380 V C -0.623 175.460 176.094 -0.018 0.000 1.209 380 V CA -0.347 61.941 62.300 -0.020 0.000 1.023 380 V CB 1.709 33.533 31.823 0.002 0.000 1.059 380 V HN 1.262 nan 8.190 nan 0.000 0.435 381 S N 0.393 116.091 115.700 -0.005 0.000 2.707 381 S HA 0.499 4.970 4.470 0.003 0.000 0.303 381 S C 0.386 175.013 174.600 0.044 0.000 1.132 381 S CA -0.340 57.871 58.200 0.019 0.000 1.046 381 S CB 1.643 64.832 63.200 -0.019 0.000 1.004 381 S HN 0.949 nan 8.310 nan 0.000 0.483 382 E N 3.219 123.401 120.200 -0.030 0.000 2.204 382 E HA 0.023 4.375 4.350 0.003 0.000 0.194 382 E C 1.971 178.381 176.600 -0.316 0.000 0.989 382 E CA 1.182 57.442 56.400 -0.234 0.000 0.824 382 E CB -0.187 29.406 29.700 -0.178 0.000 0.756 382 E HN 0.673 nan 8.360 nan 0.000 0.477 383 A N -0.239 122.579 122.820 -0.003 0.000 2.186 383 A HA -0.098 4.224 4.320 0.003 0.000 0.219 383 A C 1.151 178.654 177.584 -0.136 0.000 1.159 383 A CA 1.049 53.101 52.037 0.026 0.000 0.680 383 A CB -0.458 18.712 19.000 0.283 0.000 0.787 383 A HN 0.347 nan 8.150 nan 0.000 0.467 384 F N -3.655 116.217 119.950 -0.131 0.000 2.899 384 F HA 0.216 4.745 4.527 0.003 0.000 0.337 384 F C 0.269 176.090 175.800 0.034 0.000 1.129 384 F CA -0.651 57.330 58.000 -0.031 0.000 1.128 384 F CB -0.004 38.989 39.000 -0.012 0.000 1.154 384 F HN 0.243 nan 8.300 nan 0.000 0.531 385 H N 1.086 120.251 119.070 0.158 0.000 2.284 385 H HA -0.186 4.372 4.556 0.003 0.000 0.322 385 H C -0.003 175.385 175.328 0.100 0.000 0.973 385 H CA 0.795 56.899 56.048 0.093 0.000 1.076 385 H CB -0.863 28.928 29.762 0.048 0.000 1.596 385 H HN 0.134 nan 8.280 nan 0.000 0.361 386 S N 1.294 117.096 115.700 0.171 0.000 2.571 386 S HA 0.720 5.192 4.470 0.003 0.000 0.284 386 S C -0.282 174.348 174.600 0.050 0.000 1.128 386 S CA -0.913 57.352 58.200 0.109 0.000 0.970 386 S CB 0.787 64.048 63.200 0.101 0.000 1.039 386 S HN 0.461 nan 8.310 nan 0.000 0.485 387 M N 3.111 122.733 119.600 0.035 0.000 2.658 387 M HA 0.978 5.460 4.480 0.003 0.000 0.295 387 M C -0.059 176.240 176.300 -0.002 0.000 1.248 387 M CA -0.845 54.461 55.300 0.010 0.000 0.843 387 M CB 1.677 34.288 32.600 0.017 0.000 1.749 387 M HN 0.679 nan 8.290 nan 0.000 0.464 388 G N 0.031 108.821 108.800 -0.016 0.000 2.706 388 G HA2 0.755 4.717 3.960 0.003 0.000 0.307 388 G HA3 0.755 4.717 3.960 0.003 0.000 0.307 388 G C -1.805 173.081 174.900 -0.023 0.000 1.307 388 G CA -0.658 44.431 45.100 -0.018 0.000 0.790 388 G HN 0.772 nan 8.290 nan 0.000 0.503 389 T N 1.194 115.737 114.554 -0.018 0.000 3.335 389 T HA 0.498 4.850 4.350 0.003 0.000 0.321 389 T C 0.106 174.798 174.700 -0.013 0.000 0.960 389 T CA -0.280 61.813 62.100 -0.010 0.000 1.034 389 T CB 0.865 69.749 68.868 0.027 0.000 1.040 389 T HN 0.958 nan 8.240 nan 0.000 0.454 390 T N 2.587 117.104 114.554 -0.062 0.000 2.788 390 T HA 0.444 4.796 4.350 0.003 0.000 0.333 390 T C 0.541 175.194 174.700 -0.078 0.000 1.090 390 T CA -0.394 61.653 62.100 -0.088 0.000 1.094 390 T CB 0.691 69.462 68.868 -0.161 0.000 0.999 390 T HN 0.411 nan 8.240 nan 0.000 0.549 391 L N -0.198 120.970 121.223 -0.090 0.000 2.305 391 L HA 0.345 4.686 4.340 0.003 0.000 0.261 391 L C 1.856 178.618 176.870 -0.181 0.000 1.100 391 L CA -0.993 53.785 54.840 -0.103 0.000 1.073 391 L CB 0.988 43.045 42.059 -0.004 0.000 1.656 391 L HN 0.742 nan 8.230 nan 0.000 0.536 392 S N 0.113 115.749 115.700 -0.107 0.000 2.520 392 S HA -0.139 4.332 4.470 0.003 0.000 0.249 392 S C 0.525 175.090 174.600 -0.059 0.000 0.983 392 S CA 1.357 59.501 58.200 -0.092 0.000 0.958 392 S CB -0.485 62.709 63.200 -0.011 0.000 0.750 392 S HN 0.723 nan 8.310 nan 0.000 0.527 393 D N -1.481 118.898 120.400 -0.035 0.000 2.520 393 D HA 0.232 4.873 4.640 0.003 0.000 0.223 393 D C 1.036 177.370 176.300 0.057 0.000 1.186 393 D CA 0.644 54.662 54.000 0.030 0.000 0.821 393 D CB -0.105 40.733 40.800 0.063 0.000 1.072 393 D HN 0.337 nan 8.370 nan 0.000 0.518 394 G N 0.778 109.546 108.800 -0.053 0.000 2.159 394 G HA2 -0.202 3.760 3.960 0.003 0.000 0.227 394 G HA3 -0.202 3.760 3.960 0.003 0.000 0.227 394 G C 0.310 175.172 174.900 -0.063 0.000 0.986 394 G CA 0.291 45.283 45.100 -0.180 0.000 0.651 394 G HN 0.791 nan 8.290 nan 0.000 0.523 395 T N -1.820 112.763 114.554 0.049 0.000 2.855 395 T HA 0.893 5.245 4.350 0.003 0.000 0.281 395 T C -0.225 174.485 174.700 0.017 0.000 1.007 395 T CA 0.293 62.447 62.100 0.091 0.000 1.009 395 T CB 2.455 71.406 68.868 0.139 0.000 0.983 395 T HN 1.819 nan 8.240 nan 0.000 0.455 396 A N 2.438 125.262 122.820 0.007 0.000 2.381 396 A HA 0.662 4.983 4.320 0.003 0.000 0.299 396 A C -0.342 177.234 177.584 -0.013 0.000 1.049 396 A CA -0.991 51.038 52.037 -0.013 0.000 0.715 396 A CB 1.241 20.218 19.000 -0.039 0.000 1.222 396 A HN 0.828 nan 8.150 nan 0.000 0.428 397 K N 2.783 123.174 120.400 -0.014 0.000 2.244 397 K HA 0.350 4.672 4.320 0.003 0.000 0.263 397 K C -0.924 175.646 176.600 -0.049 0.000 1.103 397 K CA -0.061 56.208 56.287 -0.031 0.000 0.966 397 K CB 0.459 32.948 32.500 -0.018 0.000 1.429 397 K HN 0.663 nan 8.250 nan 0.000 0.434 398 L N 5.170 126.349 121.223 -0.073 0.000 2.281 398 L HA 0.251 4.593 4.340 0.003 0.000 0.285 398 L C -0.062 176.737 176.870 -0.118 0.000 1.074 398 L CA -0.469 54.323 54.840 -0.079 0.000 0.817 398 L CB 0.549 42.554 42.059 -0.089 0.000 1.168 398 L HN 0.419 nan 8.230 nan 0.000 0.434 399 I N 4.774 125.300 120.570 -0.074 0.000 2.532 399 I HA 0.244 4.416 4.170 0.003 0.000 0.292 399 I C -0.051 176.045 176.117 -0.036 0.000 1.014 399 I CA -0.439 60.818 61.300 -0.072 0.000 1.340 399 I CB 1.636 39.627 38.000 -0.014 0.000 1.422 399 I HN 0.353 nan 8.210 nan 0.000 0.528 400 L N 6.013 127.223 121.223 -0.023 0.000 2.385 400 L HA 0.413 4.754 4.340 0.003 0.000 0.273 400 L C -0.121 176.836 176.870 0.145 0.000 0.990 400 L CA -0.570 54.331 54.840 0.102 0.000 0.821 400 L CB 1.432 43.536 42.059 0.074 0.000 1.279 400 L HN 0.423 nan 8.230 nan 0.000 0.412 401 N N 4.173 122.976 118.700 0.171 0.000 2.434 401 N HA 0.433 5.175 4.740 0.003 0.000 0.272 401 N C -0.915 174.654 175.510 0.099 0.000 1.040 401 N CA -0.331 52.787 53.050 0.114 0.000 0.956 401 N CB 1.734 40.272 38.487 0.085 0.000 1.108 401 N HN 0.286 nan 8.380 nan 0.000 0.481 402 I N 3.943 124.555 120.570 0.070 0.000 2.411 402 I HA 0.342 4.514 4.170 0.003 0.000 0.284 402 I C -2.114 174.024 176.117 0.036 0.000 1.012 402 I CA -2.552 58.766 61.300 0.030 0.000 1.119 402 I CB 1.084 39.069 38.000 -0.025 0.000 1.261 402 I HN 0.100 nan 8.210 nan 0.000 0.448 403 P HA 0.014 nan 4.420 nan 0.000 0.266 403 P C 1.041 178.376 177.300 0.058 0.000 1.186 403 P CA -0.000 63.115 63.100 0.025 0.000 0.767 403 P CB 1.107 32.805 31.700 -0.003 0.000 0.820 404 L N 3.360 124.623 121.223 0.067 0.000 2.005 404 L HA -0.169 4.173 4.340 0.003 0.000 0.207 404 L C 1.646 178.578 176.870 0.104 0.000 1.072 404 L CA 1.768 56.665 54.840 0.095 0.000 0.744 404 L CB -0.808 41.302 42.059 0.085 0.000 0.895 404 L HN 0.386 nan 8.230 nan 0.000 0.433 405 N N 0.582 119.328 118.700 0.077 0.000 2.666 405 N HA -0.019 4.723 4.740 0.003 0.000 0.194 405 N C 0.484 176.046 175.510 0.088 0.000 1.220 405 N CA 0.730 53.824 53.050 0.073 0.000 0.928 405 N CB -1.039 37.476 38.487 0.048 0.000 0.997 405 N HN 0.354 nan 8.380 nan 0.000 0.447 406 A N -0.526 122.364 122.820 0.115 0.000 2.386 406 A HA 0.328 4.650 4.320 0.003 0.000 0.246 406 A C 0.904 178.622 177.584 0.222 0.000 1.089 406 A CA -0.034 52.093 52.037 0.151 0.000 0.790 406 A CB 0.611 19.697 19.000 0.143 0.000 1.042 406 A HN 0.237 nan 8.150 nan 0.000 0.497 407 Q N -0.597 119.359 119.800 0.259 0.000 2.399 407 Q HA 0.162 4.504 4.340 0.003 0.000 0.181 407 Q C 0.590 176.778 176.000 0.314 0.000 0.699 407 Q CA 0.368 56.307 55.803 0.226 0.000 0.910 407 Q CB -0.075 28.728 28.738 0.110 0.000 1.256 407 Q HN 0.705 nan 8.270 nan 0.000 0.414 408 S N 1.098 116.928 115.700 0.217 0.000 2.624 408 S HA 0.426 4.898 4.470 0.003 0.000 0.263 408 S C -0.262 174.434 174.600 0.160 0.000 1.287 408 S CA -0.122 58.182 58.200 0.174 0.000 0.990 408 S CB 0.534 63.780 63.200 0.078 0.000 0.950 408 S HN 0.228 nan 8.310 nan 0.000 0.561 409 L N 3.092 124.349 121.223 0.056 0.000 2.440 409 L HA 0.427 4.769 4.340 0.003 0.000 0.261 409 L C -2.984 173.850 176.870 -0.059 0.000 1.382 409 L CA -1.646 53.125 54.840 -0.114 0.000 0.871 409 L CB 0.886 42.638 42.059 -0.512 0.000 1.052 409 L HN 0.278 nan 8.230 nan 0.000 0.509 410 P HA 0.400 nan 4.420 nan 0.000 0.276 410 P C -0.757 176.592 177.300 0.083 0.000 1.243 410 P CA 0.181 63.287 63.100 0.010 0.000 0.768 410 P CB 0.583 32.296 31.700 0.021 0.000 0.856 411 I N -0.303 120.257 120.570 -0.016 0.000 2.608 411 I HA 0.616 4.788 4.170 0.003 0.000 0.295 411 I C -0.737 175.394 176.117 0.023 0.000 1.049 411 I CA -0.656 60.630 61.300 -0.023 0.000 1.063 411 I CB 2.490 40.384 38.000 -0.177 0.000 1.248 411 I HN 0.037 nan 8.210 nan 0.000 0.424 412 T N 4.611 119.210 114.554 0.075 0.000 2.890 412 T HA 0.478 4.830 4.350 0.003 0.000 0.295 412 T C -0.423 174.333 174.700 0.093 0.000 0.993 412 T CA -0.339 61.824 62.100 0.105 0.000 0.979 412 T CB 1.709 70.620 68.868 0.071 0.000 0.967 412 T HN 0.411 nan 8.240 nan 0.000 0.441 413 V N 4.944 124.934 119.914 0.128 0.000 2.427 413 V HA 0.566 4.688 4.120 0.003 0.000 0.286 413 V C 0.312 176.391 176.094 -0.026 0.000 1.034 413 V CA -0.888 61.426 62.300 0.023 0.000 0.893 413 V CB 1.486 33.284 31.823 -0.042 0.000 0.982 413 V HN 0.679 nan 8.190 nan 0.000 0.452 414 R N 1.787 122.265 120.500 -0.037 0.000 2.664 414 R HA 0.515 4.856 4.340 0.003 0.000 0.286 414 R C 0.091 176.348 176.300 -0.070 0.000 0.967 414 R CA -0.573 55.500 56.100 -0.046 0.000 0.933 414 R CB 1.899 32.184 30.300 -0.024 0.000 1.146 414 R HN 0.828 nan 8.270 nan 0.000 0.468 415 T N -0.343 114.163 114.554 -0.079 0.000 4.098 415 T HA 0.074 4.426 4.350 0.003 0.000 0.291 415 T C 0.353 175.012 174.700 -0.068 0.000 1.440 415 T CA -0.706 61.323 62.100 -0.117 0.000 1.164 415 T CB -0.485 68.302 68.868 -0.135 0.000 1.313 415 T HN 0.266 nan 8.240 nan 0.000 0.951 416 N N 2.784 121.457 118.700 -0.044 0.000 2.417 416 N HA -0.031 4.711 4.740 0.003 0.000 0.272 416 N C -0.927 174.605 175.510 0.038 0.000 1.304 416 N CA 0.300 53.348 53.050 -0.002 0.000 0.906 416 N CB -0.134 38.347 38.487 -0.009 0.000 1.135 416 N HN 0.762 nan 8.380 nan 0.000 0.483 417 H N 1.231 120.277 119.070 -0.040 0.000 2.823 417 H HA 0.382 4.940 4.556 0.003 0.000 0.332 417 H C 1.123 176.463 175.328 0.020 0.000 0.980 417 H CA -0.496 55.541 56.048 -0.018 0.000 1.286 417 H CB 1.008 30.779 29.762 0.015 0.000 1.541 417 H HN 0.577 nan 8.280 nan 0.000 0.521 418 G N 2.883 111.511 108.800 -0.286 0.000 2.615 418 G HA2 -0.198 3.764 3.960 0.003 0.000 0.213 418 G HA3 -0.198 3.764 3.960 0.003 0.000 0.213 418 G C 0.272 175.089 174.900 -0.138 0.000 1.135 418 G CA 0.904 45.895 45.100 -0.182 0.000 0.772 418 G HN 0.646 nan 8.290 nan 0.000 0.542 419 D N -0.684 119.638 120.400 -0.130 0.000 2.482 419 D HA 0.114 4.755 4.640 0.003 0.000 0.251 419 D C 1.124 177.541 176.300 0.195 0.000 1.073 419 D CA -0.147 53.894 54.000 0.068 0.000 0.892 419 D CB 0.254 41.135 40.800 0.135 0.000 1.202 419 D HN 0.200 nan 8.370 nan 0.000 0.496 420 L N 3.831 125.244 121.223 0.317 0.000 2.367 420 L HA 0.253 4.595 4.340 0.003 0.000 0.275 420 L C -2.058 174.884 176.870 0.120 0.000 1.129 420 L CA -1.591 53.392 54.840 0.238 0.000 0.839 420 L CB 0.439 42.661 42.059 0.272 0.000 1.133 420 L HN -0.195 nan 8.230 nan 0.000 0.453 421 P HA 0.038 nan 4.420 nan 0.000 0.268 421 P C 0.264 177.566 177.300 0.003 0.000 1.204 421 P CA -0.481 62.631 63.100 0.019 0.000 0.768 421 P CB 0.480 32.173 31.700 -0.011 0.000 0.842 422 R N 4.764 125.264 120.500 0.000 0.000 2.168 422 R HA -0.242 4.099 4.340 0.003 0.000 0.242 422 R C 1.504 177.786 176.300 -0.030 0.000 1.123 422 R CA 2.042 58.137 56.100 -0.007 0.000 0.928 422 R CB -2.114 28.181 30.300 -0.009 0.000 0.873 422 R HN 0.555 nan 8.270 nan 0.000 0.434 423 E N 1.064 121.235 120.200 -0.047 0.000 2.219 423 E HA -0.189 4.162 4.350 0.003 0.000 0.198 423 E C 1.966 178.503 176.600 -0.105 0.000 0.998 423 E CA 0.964 57.323 56.400 -0.070 0.000 0.818 423 E CB -0.351 29.303 29.700 -0.076 0.000 0.741 423 E HN 0.316 nan 8.360 nan 0.000 0.477 424 R N 1.397 121.821 120.500 -0.127 0.000 2.070 424 R HA -0.046 4.295 4.340 0.003 0.000 0.227 424 R C 1.461 177.697 176.300 -0.108 0.000 1.147 424 R CA 1.114 57.102 56.100 -0.187 0.000 0.924 424 R CB -0.777 29.391 30.300 -0.219 0.000 0.827 424 R HN 0.556 nan 8.270 nan 0.000 0.431 425 Q N 1.041 120.820 119.800 -0.035 0.000 2.349 425 Q HA 0.316 4.657 4.340 0.003 0.000 0.287 425 Q C -0.564 175.421 176.000 -0.026 0.000 1.044 425 Q CA -0.021 55.789 55.803 0.012 0.000 0.918 425 Q CB 0.534 29.310 28.738 0.062 0.000 1.242 425 Q HN 0.174 nan 8.270 nan 0.000 0.405 426 A N 2.272 125.075 122.820 -0.028 0.000 2.272 426 A HA 0.575 4.897 4.320 0.003 0.000 0.275 426 A C -0.069 177.476 177.584 -0.065 0.000 1.096 426 A CA 0.023 52.023 52.037 -0.061 0.000 0.822 426 A CB 1.602 20.551 19.000 -0.086 0.000 1.088 426 A HN 0.803 nan 8.150 nan 0.000 0.495 427 T N -0.437 114.079 114.554 -0.062 0.000 2.900 427 T HA 0.624 4.976 4.350 0.003 0.000 0.303 427 T C -1.122 173.562 174.700 -0.027 0.000 1.142 427 T CA -0.668 61.407 62.100 -0.042 0.000 1.007 427 T CB 0.980 69.837 68.868 -0.018 0.000 1.156 427 T HN 0.860 nan 8.240 nan 0.000 0.490 428 K N 1.955 122.364 120.400 0.014 0.000 2.578 428 K HA 0.628 4.949 4.320 0.003 0.000 0.269 428 K C -1.599 175.179 176.600 0.297 0.000 0.941 428 K CA -0.587 55.767 56.287 0.111 0.000 0.847 428 K CB 2.005 34.538 32.500 0.055 0.000 1.397 428 K HN 0.614 nan 8.250 nan 0.000 0.422 429 S N 2.524 118.394 115.700 0.283 0.000 2.600 429 S HA 0.772 5.244 4.470 0.003 0.000 0.300 429 S C -1.043 173.530 174.600 -0.046 0.000 1.087 429 S CA -0.894 57.409 58.200 0.172 0.000 0.965 429 S CB 1.410 64.649 63.200 0.064 0.000 1.089 429 S HN 0.655 nan 8.310 nan 0.000 0.496 430 M N 0.273 119.666 119.600 -0.345 0.000 2.644 430 M HA 0.714 5.196 4.480 0.003 0.000 0.273 430 M C -1.686 174.422 176.300 -0.320 0.000 1.253 430 M CA -0.660 54.347 55.300 -0.489 0.000 0.852 430 M CB 2.146 34.090 32.600 -1.092 0.000 1.708 430 M HN 0.522 nan 8.290 nan 0.000 0.471 431 T N 0.237 114.647 114.554 -0.239 0.000 2.890 431 T HA 0.868 5.219 4.350 0.003 0.000 0.295 431 T C -0.555 174.053 174.700 -0.154 0.000 0.993 431 T CA -0.485 61.524 62.100 -0.152 0.000 0.979 431 T CB 1.284 70.105 68.868 -0.079 0.000 0.967 431 T HN 1.005 nan 8.240 nan 0.000 0.441 432 A N 4.461 127.195 122.820 -0.142 0.000 2.303 432 A HA 0.767 5.089 4.320 0.003 0.000 0.317 432 A C 0.174 177.818 177.584 0.100 0.000 1.149 432 A CA -0.964 51.001 52.037 -0.120 0.000 0.822 432 A CB 0.389 19.266 19.000 -0.206 0.000 1.131 432 A HN 0.827 nan 8.150 nan 0.000 0.493 433 I N 1.191 121.771 120.570 0.017 0.000 2.713 433 I HA 0.384 4.555 4.170 0.003 0.000 0.300 433 I C 1.113 177.084 176.117 -0.244 0.000 1.009 433 I CA -0.063 61.282 61.300 0.075 0.000 1.305 433 I CB 1.301 39.405 38.000 0.173 0.000 1.430 433 I HN 0.760 nan 8.210 nan 0.000 0.546 434 A N 4.845 127.332 122.820 -0.555 0.000 2.351 434 A HA 0.188 4.510 4.320 0.003 0.000 0.257 434 A C -0.249 177.140 177.584 -0.324 0.000 1.087 434 A CA -0.162 51.254 52.037 -1.034 0.000 0.798 434 A CB 0.059 18.607 19.000 -0.752 0.000 1.033 434 A HN 0.542 nan 8.150 nan 0.000 0.488 435 Y N 0.498 120.531 120.300 -0.444 0.000 2.554 435 Y HA 0.064 4.616 4.550 0.003 0.000 0.353 435 Y C 0.390 176.247 175.900 -0.073 0.000 1.269 435 Y CA 0.316 58.298 58.100 -0.195 0.000 1.494 435 Y CB 0.466 38.846 38.460 -0.134 0.000 1.365 435 Y HN 0.591 nan 8.280 nan 0.000 0.664 436 Q N 2.975 123.084 119.800 0.514 0.000 2.907 436 Q HA 0.185 4.527 4.340 0.003 0.000 0.262 436 Q C -0.532 175.431 176.000 -0.063 0.000 0.997 436 Q CA -0.386 55.495 55.803 0.130 0.000 0.797 436 Q CB 0.209 28.995 28.738 0.080 0.000 1.228 436 Q HN 0.781 nan 8.270 nan 0.000 0.466 437 T N -0.848 113.525 114.554 -0.301 0.000 2.903 437 T HA -0.112 4.240 4.350 0.003 0.000 0.299 437 T C 0.597 175.170 174.700 -0.211 0.000 1.041 437 T CA 0.047 61.889 62.100 -0.430 0.000 1.138 437 T CB 0.787 69.349 68.868 -0.509 0.000 1.040 437 T HN 0.438 nan 8.240 nan 0.000 0.524 438 Q N 1.807 121.511 119.800 -0.159 0.000 2.304 438 Q HA 0.176 4.518 4.340 0.003 0.000 0.315 438 Q C 1.360 177.293 176.000 -0.112 0.000 1.075 438 Q CA 0.768 56.510 55.803 -0.102 0.000 0.988 438 Q CB -0.456 28.229 28.738 -0.089 0.000 1.146 438 Q HN 1.233 nan 8.270 nan 0.000 0.383 439 G N 3.475 112.223 108.800 -0.087 0.000 2.422 439 G HA2 -0.273 3.688 3.960 0.003 0.000 0.301 439 G HA3 -0.273 3.688 3.960 0.003 0.000 0.301 439 G C 0.797 175.638 174.900 -0.097 0.000 0.981 439 G CA 0.679 45.730 45.100 -0.083 0.000 0.994 439 G HN 1.719 nan 8.290 nan 0.000 0.514 440 G N -0.950 107.786 108.800 -0.107 0.000 2.244 440 G HA2 -0.137 3.825 3.960 0.003 0.000 0.274 440 G HA3 -0.137 3.825 3.960 0.003 0.000 0.274 440 G C 1.867 176.673 174.900 -0.157 0.000 1.002 440 G CA 1.879 46.908 45.100 -0.120 0.000 0.740 440 G HN 2.292 nan 8.290 nan 0.000 0.516 441 S N -0.945 114.648 115.700 -0.179 0.000 2.380 441 S HA 0.103 4.575 4.470 0.003 0.000 0.229 441 S C 2.578 177.037 174.600 -0.234 0.000 1.043 441 S CA 1.834 59.922 58.200 -0.187 0.000 1.038 441 S CB -0.581 62.505 63.200 -0.190 0.000 0.872 441 S HN 2.464 nan 8.310 nan 0.000 0.456 442 G N 1.075 109.656 108.800 -0.365 0.000 2.131 442 G HA2 -0.190 3.771 3.960 0.003 0.000 0.223 442 G HA3 -0.190 3.771 3.960 0.003 0.000 0.223 442 G C -0.350 174.197 174.900 -0.589 0.000 0.990 442 G CA -0.027 44.768 45.100 -0.508 0.000 0.671 442 G HN 0.564 nan 8.290 nan 0.000 0.521 443 N N 0.777 119.185 118.700 -0.486 0.000 2.678 443 N HA 0.478 5.219 4.740 0.003 0.000 0.231 443 N C -0.766 174.668 175.510 -0.127 0.000 1.038 443 N CA -0.094 52.812 53.050 -0.240 0.000 0.932 443 N CB 0.498 38.901 38.487 -0.140 0.000 1.176 443 N HN 0.234 nan 8.380 nan 0.000 0.511 444 Y N 0.803 121.152 120.300 0.081 0.000 2.352 444 Y HA 0.465 5.017 4.550 0.003 0.000 0.326 444 Y C 0.268 176.292 175.900 0.207 0.000 1.166 444 Y CA -1.116 57.029 58.100 0.075 0.000 1.182 444 Y CB 1.205 39.712 38.460 0.079 0.000 1.216 444 Y HN 0.286 nan 8.280 nan 0.000 0.474 445 L N 3.713 125.162 121.223 0.377 0.000 2.356 445 L HA 0.510 4.852 4.340 0.003 0.000 0.277 445 L C -1.526 175.523 176.870 0.299 0.000 0.996 445 L CA -0.505 54.464 54.840 0.215 0.000 0.822 445 L CB 1.051 43.048 42.059 -0.103 0.000 1.256 445 L HN 0.694 nan 8.230 nan 0.000 0.413 446 H N 3.332 122.494 119.070 0.153 0.000 2.524 446 H HA 0.710 5.268 4.556 0.003 0.000 0.353 446 H C -1.490 173.894 175.328 0.094 0.000 1.136 446 H CA -0.592 55.532 56.048 0.126 0.000 1.193 446 H CB 2.043 31.891 29.762 0.142 0.000 1.558 446 H HN 0.472 nan 8.280 nan 0.000 0.515 447 V N 4.718 124.400 119.914 -0.387 0.000 2.380 447 V HA 0.744 4.866 4.120 0.003 0.000 0.286 447 V C -0.842 174.932 176.094 -0.533 0.000 1.015 447 V CA -0.149 61.941 62.300 -0.351 0.000 0.834 447 V CB 0.505 32.214 31.823 -0.189 0.000 1.009 447 V HN 1.035 nan 8.190 nan 0.000 0.428 448 A N 6.819 129.349 122.820 -0.484 0.000 2.301 448 A HA 0.785 5.107 4.320 0.003 0.000 0.312 448 A C -0.635 176.861 177.584 -0.146 0.000 1.182 448 A CA -0.482 51.372 52.037 -0.305 0.000 0.826 448 A CB 0.987 19.902 19.000 -0.142 0.000 1.134 448 A HN 0.885 nan 8.150 nan 0.000 0.501 449 I N 3.149 123.674 120.570 -0.076 0.000 2.312 449 I HA 0.282 4.453 4.170 0.003 0.000 0.290 449 I C 1.508 177.601 176.117 -0.039 0.000 1.008 449 I CA 0.164 61.430 61.300 -0.056 0.000 1.226 449 I CB 1.248 39.226 38.000 -0.037 0.000 1.371 449 I HN 0.822 nan 8.210 nan 0.000 0.468 450 T N 2.545 117.071 114.554 -0.047 0.000 2.770 450 T HA 0.039 4.391 4.350 0.003 0.000 0.258 450 T C 1.280 175.964 174.700 -0.026 0.000 1.039 450 T CA 0.577 62.659 62.100 -0.030 0.000 1.143 450 T CB -0.465 68.383 68.868 -0.032 0.000 0.866 450 T HN 0.503 nan 8.240 nan 0.000 0.428 451 S N 1.706 117.385 115.700 -0.036 0.000 2.680 451 S HA 0.422 4.894 4.470 0.003 0.000 0.249 451 S C 0.407 174.988 174.600 -0.031 0.000 1.358 451 S CA 0.096 58.274 58.200 -0.037 0.000 0.963 451 S CB 0.028 63.197 63.200 -0.052 0.000 0.984 451 S HN 0.918 nan 8.310 nan 0.000 0.584 452 T N -1.183 113.349 114.554 -0.036 0.000 3.012 452 T HA 0.506 4.857 4.350 0.003 0.000 0.330 452 T C -1.771 172.903 174.700 -0.043 0.000 1.321 452 T CA -1.052 61.029 62.100 -0.031 0.000 1.067 452 T CB 0.959 69.819 68.868 -0.014 0.000 1.235 452 T HN 0.617 nan 8.240 nan 0.000 0.479 453 E N 1.259 121.430 120.200 -0.048 0.000 4.247 453 E HA -0.155 4.196 4.350 0.003 0.000 0.264 453 E C -0.776 175.770 176.600 -0.090 0.000 1.893 453 E CA 0.318 56.680 56.400 -0.062 0.000 1.098 453 E CB -0.787 28.890 29.700 -0.038 0.000 0.901 453 E HN 0.677 nan 8.360 nan 0.000 0.336 454 I N 3.222 123.711 120.570 -0.134 0.000 2.382 454 I HA 0.200 4.372 4.170 0.003 0.000 0.285 454 I C 0.408 176.404 176.117 -0.202 0.000 1.007 454 I CA -0.844 60.352 61.300 -0.172 0.000 1.142 454 I CB 1.112 38.983 38.000 -0.214 0.000 1.289 454 I HN 0.188 nan 8.210 nan 0.000 0.453 455 K N 6.923 127.221 120.400 -0.170 0.000 2.276 455 K HA 0.369 4.691 4.320 0.003 0.000 0.283 455 K C -2.510 173.962 176.600 -0.213 0.000 1.044 455 K CA -1.691 54.496 56.287 -0.167 0.000 0.944 455 K CB 0.273 32.701 32.500 -0.120 0.000 1.012 455 K HN 0.193 nan 8.250 nan 0.000 0.472 456 P HA -0.108 nan 4.420 nan 0.000 0.266 456 P C 0.606 177.771 177.300 -0.225 0.000 1.193 456 P CA 0.834 63.790 63.100 -0.241 0.000 0.770 456 P CB 0.414 32.002 31.700 -0.186 0.000 0.836 457 G N 0.758 109.376 108.800 -0.303 0.000 2.160 457 G HA2 -0.219 3.743 3.960 0.003 0.000 0.251 457 G HA3 -0.219 3.743 3.960 0.003 0.000 0.251 457 G C -0.078 174.624 174.900 -0.330 0.000 1.008 457 G CA -0.086 44.819 45.100 -0.324 0.000 0.724 457 G HN 0.524 nan 8.290 nan 0.000 0.514 458 D N -0.255 119.934 120.400 -0.352 0.000 2.253 458 D HA 0.523 5.165 4.640 0.003 0.000 0.249 458 D C 0.110 176.257 176.300 -0.255 0.000 1.049 458 D CA -0.487 53.365 54.000 -0.247 0.000 0.929 458 D CB 0.530 41.206 40.800 -0.207 0.000 1.176 458 D HN 0.045 nan 8.370 nan 0.000 0.437 459 N N 1.177 119.805 118.700 -0.120 0.000 2.501 459 N HA 0.319 5.061 4.740 0.003 0.000 0.245 459 N C -1.128 174.338 175.510 -0.073 0.000 0.974 459 N CA -0.470 52.546 53.050 -0.058 0.000 0.941 459 N CB 0.559 39.051 38.487 0.009 0.000 1.122 459 N HN 0.331 nan 8.380 nan 0.000 0.507 460 L N 1.869 123.038 121.223 -0.090 0.000 2.325 460 L HA 0.838 5.180 4.340 0.003 0.000 0.281 460 L C -2.687 174.130 176.870 -0.089 0.000 1.004 460 L CA -1.897 52.890 54.840 -0.088 0.000 0.823 460 L CB 2.392 44.392 42.059 -0.099 0.000 1.236 460 L HN 0.221 nan 8.230 nan 0.000 0.415 461 P HA 0.202 nan 4.420 nan 0.000 0.282 461 P C -1.099 176.132 177.300 -0.116 0.000 1.249 461 P CA -0.334 62.717 63.100 -0.082 0.000 0.806 461 P CB 2.435 34.102 31.700 -0.055 0.000 0.984 462 V N 3.187 123.004 119.914 -0.162 0.000 2.531 462 V HA 0.351 4.472 4.120 0.003 0.000 0.301 462 V C -0.722 175.172 176.094 -0.334 0.000 1.034 462 V CA -0.832 61.338 62.300 -0.217 0.000 0.865 462 V CB 1.415 33.117 31.823 -0.201 0.000 0.995 462 V HN 0.409 nan 8.190 nan 0.000 0.424 463 N N 5.693 124.228 118.700 -0.276 0.000 2.422 463 N HA 0.406 5.148 4.740 0.003 0.000 0.264 463 N C -1.039 174.284 175.510 -0.311 0.000 1.063 463 N CA -0.041 52.872 53.050 -0.229 0.000 0.959 463 N CB 0.786 39.215 38.487 -0.097 0.000 1.087 463 N HN 0.452 nan 8.380 nan 0.000 0.483 464 F N 1.385 121.242 119.950 -0.154 0.000 2.371 464 F HA 0.324 4.853 4.527 0.002 0.000 0.363 464 F C 0.620 176.364 175.800 -0.092 0.000 1.122 464 F CA -0.891 56.916 58.000 -0.323 0.000 1.129 464 F CB 0.179 38.746 39.000 -0.723 0.000 1.173 464 F HN 0.240 nan 8.300 nan 0.000 0.489 465 N N 2.303 121.110 118.700 0.179 0.000 2.392 465 N HA 0.622 5.363 4.740 0.003 0.000 0.283 465 N C -1.012 174.678 175.510 0.300 0.000 1.003 465 N CA -0.658 52.535 53.050 0.238 0.000 0.892 465 N CB 2.089 40.722 38.487 0.244 0.000 1.193 465 N HN 0.310 nan 8.380 nan 0.000 0.487 466 V N -0.269 119.849 119.914 0.341 0.000 3.093 466 V HA 0.680 4.802 4.120 0.003 0.000 0.320 466 V C -0.218 176.059 176.094 0.304 0.000 1.093 466 V CA -0.693 61.835 62.300 0.381 0.000 1.016 466 V CB 1.852 33.940 31.823 0.443 0.000 1.096 466 V HN 0.611 nan 8.190 nan 0.000 0.452 467 K N -0.174 120.412 120.400 0.309 0.000 2.562 467 K HA 0.663 4.985 4.320 0.003 0.000 0.267 467 K C -0.284 176.408 176.600 0.154 0.000 0.938 467 K CA 0.297 56.725 56.287 0.235 0.000 0.840 467 K CB 1.966 34.631 32.500 0.276 0.000 1.390 467 K HN 1.772 nan 8.250 nan 0.000 0.428 468 G N 2.010 110.860 108.800 0.083 0.000 2.255 468 G HA2 -0.165 3.797 3.960 0.003 0.000 0.216 468 G HA3 -0.165 3.797 3.960 0.003 0.000 0.216 468 G C -1.153 173.730 174.900 -0.029 0.000 1.307 468 G CA -0.440 44.658 45.100 -0.002 0.000 1.162 468 G HN 0.876 nan 8.290 nan 0.000 0.494 469 N N 1.199 119.854 118.700 -0.075 0.000 1.916 469 N HA 0.146 4.888 4.740 0.003 0.000 0.307 469 N C 1.685 177.157 175.510 -0.063 0.000 1.322 469 N CA 1.137 54.141 53.050 -0.077 0.000 0.808 469 N CB 0.507 38.929 38.487 -0.108 0.000 1.056 469 N HN 1.350 nan 8.380 nan 0.000 0.499 470 A N 4.942 127.734 122.820 -0.046 0.000 1.849 470 A HA -0.304 4.017 4.320 0.003 0.000 0.216 470 A C 1.744 179.295 177.584 -0.056 0.000 1.225 470 A CA 1.963 53.977 52.037 -0.038 0.000 0.653 470 A CB -0.760 18.223 19.000 -0.029 0.000 0.844 470 A HN 0.984 nan 8.150 nan 0.000 0.453 471 N N -0.077 118.587 118.700 -0.061 0.000 2.626 471 N HA -0.034 4.708 4.740 0.003 0.000 0.193 471 N C 1.312 176.764 175.510 -0.097 0.000 1.213 471 N CA 1.148 54.155 53.050 -0.071 0.000 0.914 471 N CB -0.106 38.343 38.487 -0.063 0.000 0.994 471 N HN 0.405 nan 8.380 nan 0.000 0.447 472 S N 0.956 116.591 115.700 -0.110 0.000 2.339 472 S HA 0.206 4.678 4.470 0.003 0.000 0.213 472 S C 1.896 176.388 174.600 -0.180 0.000 1.033 472 S CA -0.038 58.070 58.200 -0.154 0.000 0.950 472 S CB -0.119 62.983 63.200 -0.163 0.000 0.893 472 S HN 0.254 nan 8.310 nan 0.000 0.492 473 L N 2.107 123.244 121.223 -0.144 0.000 2.191 473 L HA -0.079 4.263 4.340 0.003 0.000 0.212 473 L C 2.443 179.243 176.870 -0.116 0.000 1.103 473 L CA 1.269 56.029 54.840 -0.134 0.000 0.769 473 L CB -0.664 41.367 42.059 -0.046 0.000 0.908 473 L HN 0.366 nan 8.230 nan 0.000 0.438 474 K N 1.866 122.209 120.400 -0.095 0.000 2.173 474 K HA -0.240 4.081 4.320 0.003 0.000 0.207 474 K C 1.151 177.684 176.600 -0.111 0.000 1.046 474 K CA 1.952 58.189 56.287 -0.084 0.000 0.929 474 K CB -0.009 32.448 32.500 -0.073 0.000 0.720 474 K HN 0.577 nan 8.250 nan 0.000 0.453 475 Q N 0.433 120.144 119.800 -0.148 0.000 2.404 475 Q HA 0.279 4.621 4.340 0.003 0.000 0.368 475 Q C -0.823 175.033 176.000 -0.241 0.000 0.939 475 Q CA -0.384 55.313 55.803 -0.177 0.000 1.099 475 Q CB 0.281 28.919 28.738 -0.166 0.000 1.284 475 Q HN 0.081 nan 8.270 nan 0.000 0.421 476 I N 1.788 122.209 120.570 -0.248 0.000 2.310 476 I HA 0.176 4.347 4.170 0.003 0.000 0.287 476 I C 0.158 176.105 176.117 -0.284 0.000 1.073 476 I CA -0.280 60.830 61.300 -0.317 0.000 1.216 476 I CB 0.795 38.594 38.000 -0.335 0.000 1.415 476 I HN 0.113 nan 8.210 nan 0.000 0.480 477 K N 5.908 126.110 120.400 -0.331 0.000 2.029 477 K HA 0.111 4.433 4.320 0.003 0.000 0.205 477 K C -0.621 175.846 176.600 -0.222 0.000 1.042 477 K CA 1.311 57.402 56.287 -0.325 0.000 0.949 477 K CB -0.061 32.142 32.500 -0.495 0.000 0.740 477 K HN 0.527 nan 8.250 nan 0.000 0.442 478 Y N -1.473 118.723 120.300 -0.173 0.000 2.477 478 Y HA 0.572 5.124 4.550 0.003 0.000 0.347 478 Y C -0.906 174.835 175.900 -0.264 0.000 0.981 478 Y CA -3.019 54.982 58.100 -0.165 0.000 1.033 478 Y CB -0.123 38.300 38.460 -0.062 0.000 1.245 478 Y HN -0.230 nan 8.280 nan 0.000 0.455 479 F N 1.186 121.155 119.950 0.030 0.000 2.399 479 F HA 0.565 5.094 4.527 0.003 0.000 0.342 479 F C 0.646 176.207 175.800 -0.399 0.000 1.106 479 F CA -0.016 57.826 58.000 -0.263 0.000 1.196 479 F CB 1.638 40.184 39.000 -0.756 0.000 1.163 479 F HN 0.492 nan 8.300 nan 0.000 0.547 480 T N 3.862 118.235 114.554 -0.301 0.000 2.791 480 T HA 0.385 4.736 4.350 0.003 0.000 0.288 480 T C -1.080 173.358 174.700 -0.437 0.000 0.999 480 T CA -0.450 61.335 62.100 -0.526 0.000 0.952 480 T CB 0.106 68.511 68.868 -0.773 0.000 0.938 480 T HN 0.455 nan 8.240 nan 0.000 0.444 481 Y N 2.741 122.943 120.300 -0.162 0.000 2.468 481 Y HA 0.838 5.390 4.550 0.003 0.000 0.342 481 Y C -1.185 174.718 175.900 0.005 0.000 1.021 481 Y CA -1.803 56.260 58.100 -0.062 0.000 1.079 481 Y CB 0.893 39.515 38.460 0.271 0.000 1.226 481 Y HN 0.308 nan 8.280 nan 0.000 0.460 482 L N 2.822 124.202 121.223 0.263 0.000 2.381 482 L HA 0.567 4.908 4.340 0.003 0.000 0.268 482 L C -1.102 175.847 176.870 0.132 0.000 0.997 482 L CA -1.678 53.261 54.840 0.166 0.000 0.818 482 L CB 1.549 43.656 42.059 0.079 0.000 1.310 482 L HN 0.546 nan 8.230 nan 0.000 0.416 483 I N 3.711 124.300 120.570 0.032 0.000 2.307 483 I HA 0.393 4.565 4.170 0.003 0.000 0.289 483 I C -0.112 176.061 176.117 0.094 0.000 1.021 483 I CA -0.338 60.959 61.300 -0.005 0.000 1.224 483 I CB 0.886 38.835 38.000 -0.084 0.000 1.376 483 I HN 0.561 nan 8.210 nan 0.000 0.470 484 L N 6.597 127.868 121.223 0.081 0.000 2.375 484 L HA 0.527 4.869 4.340 0.003 0.000 0.271 484 L C 0.353 177.319 176.870 0.160 0.000 1.107 484 L CA -0.254 54.660 54.840 0.123 0.000 0.806 484 L CB 1.227 43.343 42.059 0.096 0.000 1.146 484 L HN 0.686 nan 8.230 nan 0.000 0.447 485 N N 1.271 120.069 118.700 0.164 0.000 2.935 485 N HA 0.083 4.825 4.740 0.003 0.000 0.248 485 N C -0.648 174.922 175.510 0.101 0.000 1.276 485 N CA -0.484 52.650 53.050 0.139 0.000 0.906 485 N CB 1.677 40.239 38.487 0.126 0.000 1.564 485 N HN 0.609 nan 8.380 nan 0.000 0.500 486 K N 0.770 121.225 120.400 0.093 0.000 3.495 486 K HA -0.208 4.114 4.320 0.003 0.000 0.315 486 K C 0.608 177.255 176.600 0.078 0.000 1.301 486 K CA 1.382 57.721 56.287 0.086 0.000 0.985 486 K CB -1.519 31.022 32.500 0.068 0.000 1.244 486 K HN 1.076 nan 8.250 nan 0.000 0.433 487 G N 0.472 109.352 108.800 0.132 0.000 2.142 487 G HA2 -0.304 3.658 3.960 0.003 0.000 0.225 487 G HA3 -0.304 3.658 3.960 0.003 0.000 0.225 487 G C -0.328 174.758 174.900 0.311 0.000 1.015 487 G CA 0.607 45.875 45.100 0.281 0.000 0.716 487 G HN 0.397 nan 8.290 nan 0.000 0.508 488 K N -0.706 119.799 120.400 0.175 0.000 2.533 488 K HA 0.686 5.008 4.320 0.003 0.000 0.272 488 K C -0.435 176.240 176.600 0.126 0.000 0.985 488 K CA -1.382 54.980 56.287 0.125 0.000 0.876 488 K CB 1.695 34.242 32.500 0.079 0.000 1.452 488 K HN 0.090 nan 8.250 nan 0.000 0.439 489 I N 2.770 123.409 120.570 0.115 0.000 2.294 489 I HA 0.056 4.228 4.170 0.003 0.000 0.295 489 I C 0.725 176.974 176.117 0.221 0.000 1.098 489 I CA -0.456 60.927 61.300 0.137 0.000 1.277 489 I CB -0.191 37.867 38.000 0.097 0.000 1.434 489 I HN 0.519 nan 8.210 nan 0.000 0.498 490 F N 7.213 127.187 119.950 0.039 0.000 2.000 490 F HA 0.097 4.626 4.527 0.004 0.000 0.294 490 F C 1.177 176.996 175.800 0.032 0.000 1.312 490 F CA 0.714 58.734 58.000 0.034 0.000 1.152 490 F CB -0.085 38.933 39.000 0.030 0.000 0.959 490 F HN 0.267 nan 8.300 nan 0.000 0.500 491 K N 0.691 120.878 120.400 -0.355 0.000 2.143 491 K HA 0.512 4.834 4.320 0.003 0.000 0.272 491 K C -1.516 175.009 176.600 -0.126 0.000 1.001 491 K CA -0.435 55.588 56.287 -0.441 0.000 0.915 491 K CB 1.476 33.511 32.500 -0.775 0.000 1.047 491 K HN 0.232 nan 8.250 nan 0.000 0.458 492 V N 2.388 122.296 119.914 -0.009 0.000 2.823 492 V HA 0.847 4.969 4.120 0.003 0.000 0.312 492 V C -0.479 175.751 176.094 0.228 0.000 1.072 492 V CA -0.007 62.376 62.300 0.137 0.000 0.937 492 V CB 1.862 33.739 31.823 0.090 0.000 1.013 492 V HN 1.031 nan 8.190 nan 0.000 0.430 493 G N 4.699 113.741 108.800 0.404 0.000 2.576 493 G HA2 0.601 4.563 3.960 0.003 0.000 0.290 493 G HA3 0.601 4.563 3.960 0.003 0.000 0.290 493 G C -1.947 172.615 174.900 -0.563 0.000 1.442 493 G CA -0.891 44.294 45.100 0.140 0.000 0.792 493 G HN 0.528 nan 8.290 nan 0.000 0.491 494 R N -0.010 120.225 120.500 -0.441 0.000 2.589 494 R HA 0.613 4.955 4.340 0.003 0.000 0.293 494 R C -0.997 175.120 176.300 -0.305 0.000 0.963 494 R CA -0.928 54.906 56.100 -0.444 0.000 0.905 494 R CB 1.849 31.980 30.300 -0.283 0.000 1.144 494 R HN 0.571 nan 8.270 nan 0.000 0.459 495 Q N 2.877 122.577 119.800 -0.166 0.000 2.363 495 Q HA 0.391 4.733 4.340 0.003 0.000 0.265 495 Q C -2.578 173.543 176.000 0.202 0.000 1.032 495 Q CA -2.124 53.746 55.803 0.112 0.000 0.746 495 Q CB 1.632 30.598 28.738 0.380 0.000 1.237 495 Q HN 0.192 nan 8.270 nan 0.000 0.475 496 P HA 0.042 nan 4.420 nan 0.000 0.266 496 P C -1.209 176.203 177.300 0.187 0.000 1.193 496 P CA 0.140 63.335 63.100 0.158 0.000 0.770 496 P CB 0.434 32.204 31.700 0.118 0.000 0.836 497 R N 1.779 122.348 120.500 0.115 0.000 2.686 497 R HA 0.605 4.947 4.340 0.003 0.000 0.286 497 R C -0.709 175.623 176.300 0.054 0.000 0.969 497 R CA -0.841 55.329 56.100 0.117 0.000 0.898 497 R CB 1.662 32.005 30.300 0.071 0.000 1.183 497 R HN 0.316 nan 8.270 nan 0.000 0.456 498 R N 1.547 122.087 120.500 0.067 0.000 2.720 498 R HA 0.195 4.537 4.340 0.003 0.000 0.272 498 R C -0.869 175.449 176.300 0.030 0.000 0.991 498 R CA -0.934 55.187 56.100 0.035 0.000 1.010 498 R CB 1.326 31.649 30.300 0.038 0.000 1.141 498 R HN 0.702 nan 8.270 nan 0.000 0.494 499 D N 0.051 120.456 120.400 0.008 0.000 2.472 499 D HA 0.123 4.765 4.640 0.003 0.000 0.237 499 D C 1.001 177.313 176.300 0.020 0.000 1.141 499 D CA 2.067 56.068 54.000 0.002 0.000 0.875 499 D CB 0.821 41.613 40.800 -0.012 0.000 1.192 499 D HN 0.698 nan 8.370 nan 0.000 0.450 500 G N 2.831 111.646 108.800 0.025 0.000 2.213 500 G HA2 -0.285 3.676 3.960 0.003 0.000 0.236 500 G HA3 -0.285 3.676 3.960 0.003 0.000 0.236 500 G C 0.358 175.295 174.900 0.062 0.000 0.991 500 G CA 0.092 45.214 45.100 0.038 0.000 0.629 500 G HN 0.558 nan 8.290 nan 0.000 0.517 501 Q N 0.867 120.713 119.800 0.078 0.000 2.389 501 Q HA 0.439 4.781 4.340 0.003 0.000 0.244 501 Q C 0.881 176.971 176.000 0.151 0.000 1.056 501 Q CA -0.403 55.470 55.803 0.116 0.000 0.908 501 Q CB 0.458 29.279 28.738 0.138 0.000 1.273 501 Q HN 0.301 nan 8.270 nan 0.000 0.471 502 N N 1.816 120.604 118.700 0.147 0.000 2.373 502 N HA 0.079 4.821 4.740 0.003 0.000 0.181 502 N C -0.574 175.065 175.510 0.216 0.000 1.082 502 N CA 0.394 53.551 53.050 0.178 0.000 0.885 502 N CB 0.621 39.193 38.487 0.141 0.000 0.977 502 N HN 0.426 nan 8.380 nan 0.000 0.462 503 L N 0.830 122.170 121.223 0.194 0.000 2.471 503 L HA 0.454 4.795 4.340 0.003 0.000 0.263 503 L C -1.621 175.363 176.870 0.189 0.000 0.985 503 L CA -0.403 54.550 54.840 0.188 0.000 0.868 503 L CB 1.433 43.575 42.059 0.137 0.000 1.203 503 L HN -0.347 nan 8.230 nan 0.000 0.429 504 V N 3.828 123.896 119.914 0.256 0.000 2.540 504 V HA 0.606 4.727 4.120 0.003 0.000 0.302 504 V C -0.085 176.132 176.094 0.205 0.000 1.035 504 V CA -0.078 62.376 62.300 0.257 0.000 0.873 504 V CB 2.445 34.491 31.823 0.372 0.000 0.992 504 V HN 0.780 nan 8.190 nan 0.000 0.428 505 T N 7.122 121.743 114.554 0.111 0.000 2.908 505 T HA 0.701 5.053 4.350 0.003 0.000 0.290 505 T C -0.751 173.954 174.700 0.009 0.000 1.034 505 T CA -0.442 61.653 62.100 -0.009 0.000 1.010 505 T CB 1.289 70.148 68.868 -0.015 0.000 1.068 505 T HN 0.748 nan 8.240 nan 0.000 0.481 506 M N 3.188 122.750 119.600 -0.064 0.000 2.371 506 M HA 0.494 4.975 4.480 0.003 0.000 0.287 506 M C -1.624 174.659 176.300 -0.028 0.000 1.149 506 M CA -0.713 54.591 55.300 0.008 0.000 0.929 506 M CB 1.913 34.576 32.600 0.104 0.000 1.683 506 M HN 0.339 nan 8.290 nan 0.000 0.470 507 N N 3.783 122.483 118.700 -0.001 0.000 2.420 507 N HA 0.263 5.005 4.740 0.003 0.000 0.262 507 N C -1.296 174.200 175.510 -0.023 0.000 1.144 507 N CA -0.160 52.879 53.050 -0.017 0.000 0.952 507 N CB 0.960 39.450 38.487 0.004 0.000 1.081 507 N HN 0.581 nan 8.380 nan 0.000 0.480 508 L N 3.726 124.903 121.223 -0.077 0.000 2.307 508 L HA 0.237 4.579 4.340 0.003 0.000 0.282 508 L C -0.315 176.529 176.870 -0.043 0.000 1.051 508 L CA -0.529 54.251 54.840 -0.101 0.000 0.804 508 L CB 0.776 42.691 42.059 -0.239 0.000 1.197 508 L HN 0.470 nan 8.230 nan 0.000 0.431 509 H N 5.189 124.188 119.070 -0.118 0.000 2.724 509 H HA 0.422 4.980 4.556 0.003 0.000 0.278 509 H C -0.400 174.856 175.328 -0.120 0.000 1.159 509 H CA -0.767 55.220 56.048 -0.102 0.000 1.254 509 H CB 0.157 29.874 29.762 -0.076 0.000 1.412 509 H HN 0.503 nan 8.280 nan 0.000 0.488 510 I N 3.933 124.284 120.570 -0.365 0.000 2.710 510 I HA 0.037 4.208 4.170 0.003 0.000 0.286 510 I C 0.995 176.894 176.117 -0.363 0.000 1.181 510 I CA 0.592 61.673 61.300 -0.365 0.000 1.430 510 I CB 0.463 38.211 38.000 -0.421 0.000 1.367 510 I HN 0.640 nan 8.210 nan 0.000 0.577 511 T N 5.370 119.802 114.554 -0.204 0.000 2.909 511 T HA 0.426 4.777 4.350 0.003 0.000 0.299 511 T C -2.066 172.568 174.700 -0.110 0.000 1.073 511 T CA -1.771 60.265 62.100 -0.107 0.000 0.999 511 T CB 2.187 71.086 68.868 0.052 0.000 1.098 511 T HN 0.233 nan 8.240 nan 0.000 0.477 512 P HA -0.233 nan 4.420 nan 0.000 0.226 512 P C 0.759 177.974 177.300 -0.141 0.000 1.154 512 P CA 1.942 64.977 63.100 -0.109 0.000 0.901 512 P CB -0.060 31.612 31.700 -0.047 0.000 0.788 513 D N -0.675 119.667 120.400 -0.096 0.000 2.157 513 D HA -0.198 4.444 4.640 0.003 0.000 0.191 513 D C 1.701 177.887 176.300 -0.190 0.000 1.004 513 D CA 1.202 55.111 54.000 -0.152 0.000 0.854 513 D CB -1.129 39.545 40.800 -0.210 0.000 0.936 513 D HN 0.268 nan 8.370 nan 0.000 0.446 514 L N 0.081 121.190 121.223 -0.189 0.000 2.551 514 L HA 0.072 4.414 4.340 0.003 0.000 0.228 514 L C 0.758 177.378 176.870 -0.417 0.000 1.153 514 L CA -0.114 54.570 54.840 -0.259 0.000 0.851 514 L CB -0.633 41.161 42.059 -0.442 0.000 0.959 514 L HN 0.010 nan 8.230 nan 0.000 0.451 515 I N 2.818 123.102 120.570 -0.477 0.000 2.683 515 I HA -0.028 4.143 4.170 0.003 0.000 0.286 515 I C -1.037 174.610 176.117 -0.782 0.000 1.175 515 I CA -0.653 60.227 61.300 -0.699 0.000 1.429 515 I CB 0.674 38.188 38.000 -0.810 0.000 1.371 515 I HN -0.065 nan 8.210 nan 0.000 0.569 516 P HA 0.045 nan 4.420 nan 0.000 0.264 516 P C -0.335 176.715 177.300 -0.415 0.000 1.259 516 P CA 0.273 62.973 63.100 -0.667 0.000 0.841 516 P CB 0.568 31.960 31.700 -0.513 0.000 1.232 517 S N 0.362 115.875 115.700 -0.311 0.000 2.584 517 S HA 0.603 5.074 4.470 0.003 0.000 0.280 517 S C -0.871 173.681 174.600 -0.080 0.000 1.162 517 S CA -0.886 57.139 58.200 -0.291 0.000 0.951 517 S CB -0.053 63.099 63.200 -0.080 0.000 1.108 517 S HN 0.139 nan 8.310 nan 0.000 0.464 518 F N 1.468 121.158 119.950 -0.432 0.000 2.563 518 F HA 0.872 5.400 4.527 0.003 0.000 0.316 518 F C -0.319 175.353 175.800 -0.212 0.000 1.076 518 F CA -1.488 56.373 58.000 -0.231 0.000 0.921 518 F CB 1.583 40.466 39.000 -0.196 0.000 1.209 518 F HN 0.681 nan 8.300 nan 0.000 0.462 519 R N 2.088 122.532 120.500 -0.093 0.000 2.668 519 R HA 0.565 4.907 4.340 0.003 0.000 0.279 519 R C -1.942 174.229 176.300 -0.214 0.000 0.976 519 R CA -0.786 55.238 56.100 -0.126 0.000 0.978 519 R CB 1.959 32.341 30.300 0.138 0.000 1.133 519 R HN 0.624 nan 8.270 nan 0.000 0.484 520 F N 2.303 122.022 119.950 -0.385 0.000 2.403 520 F HA 0.388 4.917 4.527 0.002 0.000 0.355 520 F C -0.941 174.754 175.800 -0.174 0.000 1.119 520 F CA -1.549 56.250 58.000 -0.335 0.000 1.007 520 F CB 1.482 40.253 39.000 -0.381 0.000 1.194 520 F HN 0.263 nan 8.300 nan 0.000 0.443 521 V N 3.947 123.813 119.914 -0.080 0.000 2.628 521 V HA 0.972 5.093 4.120 0.003 0.000 0.306 521 V C -0.312 175.583 176.094 -0.331 0.000 1.045 521 V CA -0.884 61.264 62.300 -0.254 0.000 0.905 521 V CB 1.059 32.691 31.823 -0.317 0.000 0.997 521 V HN 0.950 nan 8.190 nan 0.000 0.436 522 A N 3.238 125.878 122.820 -0.299 0.000 2.594 522 A HA 0.992 5.314 4.320 0.003 0.000 0.295 522 A C -1.562 176.002 177.584 -0.033 0.000 1.071 522 A CA -0.612 51.268 52.037 -0.261 0.000 0.685 522 A CB 2.136 20.893 19.000 -0.406 0.000 1.285 522 A HN 1.810 nan 8.150 nan 0.000 0.405 523 Y N -0.983 119.333 120.300 0.026 0.000 2.656 523 Y HA 0.820 5.372 4.550 0.003 0.000 0.334 523 Y C -1.617 174.364 175.900 0.134 0.000 1.179 523 Y CA -2.154 55.991 58.100 0.075 0.000 1.050 523 Y CB 0.648 39.247 38.460 0.232 0.000 1.308 523 Y HN 1.340 nan 8.280 nan 0.000 0.456 524 Y N 0.183 120.787 120.300 0.507 0.000 2.576 524 Y HA 0.814 5.365 4.550 0.003 0.000 0.346 524 Y C -1.581 174.371 175.900 0.088 0.000 1.018 524 Y CA -2.481 55.777 58.100 0.263 0.000 1.050 524 Y CB 1.357 39.774 38.460 -0.072 0.000 1.280 524 Y HN 0.695 nan 8.280 nan 0.000 0.474 525 Q N 1.033 120.917 119.800 0.140 0.000 2.330 525 Q HA 0.680 5.022 4.340 0.003 0.000 0.269 525 Q C -1.492 174.356 176.000 -0.253 0.000 1.022 525 Q CA -1.042 54.660 55.803 -0.167 0.000 0.796 525 Q CB 2.061 30.527 28.738 -0.453 0.000 1.271 525 Q HN 0.598 nan 8.270 nan 0.000 0.450 526 V N 0.482 120.225 119.914 -0.285 0.000 2.407 526 V HA 0.727 4.849 4.120 0.003 0.000 0.278 526 V C 1.204 177.173 176.094 -0.209 0.000 1.037 526 V CA -0.274 61.859 62.300 -0.278 0.000 0.900 526 V CB 0.425 32.071 31.823 -0.295 0.000 0.983 526 V HN 1.148 nan 8.190 nan 0.000 0.459 527 G N 4.412 113.099 108.800 -0.188 0.000 2.379 527 G HA2 -0.334 3.627 3.960 0.003 0.000 0.297 527 G HA3 -0.334 3.627 3.960 0.003 0.000 0.297 527 G C 0.452 175.268 174.900 -0.139 0.000 1.004 527 G CA 0.549 45.559 45.100 -0.149 0.000 0.921 527 G HN 1.357 nan 8.290 nan 0.000 0.511 528 N N -1.938 116.671 118.700 -0.152 0.000 2.753 528 N HA -0.205 4.537 4.740 0.003 0.000 0.251 528 N C 0.798 176.220 175.510 -0.146 0.000 1.097 528 N CA 1.915 54.879 53.050 -0.143 0.000 0.786 528 N CB -1.450 36.965 38.487 -0.120 0.000 1.137 528 N HN 0.775 nan 8.380 nan 0.000 0.566 529 N N 0.055 118.663 118.700 -0.153 0.000 2.428 529 N HA 0.032 4.774 4.740 0.003 0.000 0.249 529 N C -0.297 175.122 175.510 -0.151 0.000 1.092 529 N CA 0.440 53.408 53.050 -0.137 0.000 0.833 529 N CB 0.637 39.056 38.487 -0.114 0.000 1.575 529 N HN 0.427 nan 8.380 nan 0.000 0.476 530 E N 1.277 121.378 120.200 -0.164 0.000 2.197 530 E HA 0.310 4.661 4.350 0.003 0.000 0.281 530 E C -0.512 175.991 176.600 -0.162 0.000 0.995 530 E CA -0.599 55.709 56.400 -0.153 0.000 0.808 530 E CB 0.767 30.381 29.700 -0.144 0.000 1.093 530 E HN 0.301 nan 8.360 nan 0.000 0.394 531 I N 1.979 122.458 120.570 -0.151 0.000 2.418 531 I HA 0.559 4.731 4.170 0.003 0.000 0.287 531 I C -0.867 175.253 176.117 0.004 0.000 1.008 531 I CA -1.017 60.188 61.300 -0.159 0.000 1.104 531 I CB 1.402 39.155 38.000 -0.412 0.000 1.264 531 I HN 0.216 nan 8.210 nan 0.000 0.438 532 V N 4.764 124.812 119.914 0.222 0.000 2.876 532 V HA 0.953 5.074 4.120 0.003 0.000 0.312 532 V C -0.063 176.158 176.094 0.211 0.000 1.085 532 V CA -0.191 62.270 62.300 0.269 0.000 0.945 532 V CB 2.088 34.108 31.823 0.329 0.000 1.017 532 V HN 1.086 nan 8.190 nan 0.000 0.428 533 A N 3.296 126.298 122.820 0.304 0.000 2.533 533 A HA 0.954 5.276 4.320 0.003 0.000 0.293 533 A C -1.702 175.978 177.584 0.161 0.000 1.228 533 A CA -0.431 51.769 52.037 0.271 0.000 0.689 533 A CB 2.135 21.468 19.000 0.555 0.000 1.303 533 A HN 0.773 nan 8.150 nan 0.000 0.444 534 D N -1.421 119.019 120.400 0.067 0.000 2.685 534 D HA 0.546 5.188 4.640 0.003 0.000 0.236 534 D C -1.223 175.039 176.300 -0.065 0.000 1.233 534 D CA 0.550 54.549 54.000 -0.002 0.000 0.760 534 D CB 1.858 42.685 40.800 0.046 0.000 1.410 534 D HN 0.987 nan 8.370 nan 0.000 0.439 535 S N 0.667 116.343 115.700 -0.039 0.000 2.557 535 S HA 0.745 5.217 4.470 0.003 0.000 0.291 535 S C -1.291 173.330 174.600 0.035 0.000 1.116 535 S CA -0.760 57.415 58.200 -0.043 0.000 0.992 535 S CB 1.625 64.802 63.200 -0.037 0.000 1.028 535 S HN 0.457 nan 8.310 nan 0.000 0.484 536 V N 3.586 123.528 119.914 0.047 0.000 2.715 536 V HA 0.798 4.920 4.120 0.003 0.000 0.310 536 V C -1.643 174.531 176.094 0.133 0.000 1.054 536 V CA -0.799 61.564 62.300 0.104 0.000 0.928 536 V CB 1.877 33.740 31.823 0.066 0.000 1.007 536 V HN 1.030 nan 8.190 nan 0.000 0.437 537 W N 5.624 126.913 121.300 -0.018 0.000 2.573 537 W HA 0.753 5.414 4.660 0.003 0.000 0.326 537 W C -1.460 175.067 176.519 0.012 0.000 1.049 537 W CA -0.451 56.878 57.345 -0.026 0.000 1.220 537 W CB 1.755 31.215 29.460 0.000 0.000 1.373 537 W HN 0.478 nan 8.180 nan 0.000 0.507 538 V N 5.734 125.300 119.914 -0.580 0.000 2.656 538 V HA 0.202 4.324 4.120 0.003 0.000 0.307 538 V C -0.768 174.849 176.094 -0.796 0.000 1.051 538 V CA -0.816 61.227 62.300 -0.428 0.000 0.893 538 V CB 1.725 33.672 31.823 0.207 0.000 0.999 538 V HN 0.440 nan 8.190 nan 0.000 0.426 539 D N 2.918 122.891 120.400 -0.711 0.000 2.313 539 D HA 0.399 5.040 4.640 0.003 0.000 0.239 539 D C -0.335 175.739 176.300 -0.376 0.000 1.142 539 D CA 0.108 53.771 54.000 -0.562 0.000 0.847 539 D CB 1.657 42.260 40.800 -0.328 0.000 1.082 539 D HN 0.265 nan 8.370 nan 0.000 0.480 540 V N 3.653 123.303 119.914 -0.440 0.000 2.686 540 V HA 0.143 4.265 4.120 0.003 0.000 0.295 540 V C 0.637 176.539 176.094 -0.321 0.000 1.057 540 V CA -0.902 61.141 62.300 -0.429 0.000 1.012 540 V CB 1.307 32.793 31.823 -0.561 0.000 1.006 540 V HN 0.428 nan 8.190 nan 0.000 0.477 541 K N 2.794 123.046 120.400 -0.246 0.000 2.440 541 K HA -0.062 4.260 4.320 0.003 0.000 0.275 541 K C -0.186 176.310 176.600 -0.174 0.000 1.082 541 K CA 0.373 56.563 56.287 -0.162 0.000 1.135 541 K CB -0.403 32.023 32.500 -0.123 0.000 0.864 541 K HN 0.579 nan 8.250 nan 0.000 0.479 542 D N 3.110 123.444 120.400 -0.111 0.000 2.540 542 D HA 0.002 4.643 4.640 0.003 0.000 0.237 542 D C 0.203 176.632 176.300 0.214 0.000 1.181 542 D CA 0.358 54.318 54.000 -0.067 0.000 1.119 542 D CB -0.053 40.802 40.800 0.091 0.000 1.119 542 D HN 0.602 nan 8.370 nan 0.000 0.498 543 T N -1.482 113.185 114.554 0.189 0.000 2.807 543 T HA 0.337 4.689 4.350 0.003 0.000 0.277 543 T C 0.007 174.966 174.700 0.431 0.000 1.006 543 T CA -0.747 61.513 62.100 0.266 0.000 1.006 543 T CB 0.996 69.906 68.868 0.070 0.000 1.274 543 T HN 0.206 nan 8.240 nan 0.000 0.569 544 c N 2.740 121.444 118.600 0.173 0.000 2.648 544 c HA 0.271 4.843 4.570 0.003 0.000 0.419 544 c C 2.424 176.582 174.090 0.113 0.000 1.352 544 c CA -0.444 55.944 56.329 0.100 0.000 1.816 544 c CB -1.155 41.349 42.510 -0.010 0.000 2.598 544 c HN 0.899 nan 8.230 nan 0.000 0.598 545 M N 2.952 122.639 119.600 0.144 0.000 2.080 545 M HA -0.029 4.453 4.480 0.003 0.000 0.260 545 M C 1.423 177.728 176.300 0.007 0.000 1.068 545 M CA 2.064 57.413 55.300 0.082 0.000 1.109 545 M CB -0.733 31.918 32.600 0.086 0.000 1.342 545 M HN 0.926 nan 8.290 nan 0.000 0.405 546 G N -0.820 107.968 108.800 -0.021 0.000 2.857 546 G HA2 0.455 4.417 3.960 0.003 0.000 0.217 546 G HA3 0.455 4.417 3.960 0.003 0.000 0.217 546 G C -0.874 174.002 174.900 -0.039 0.000 1.357 546 G CA -0.416 44.663 45.100 -0.036 0.000 1.033 546 G HN 0.213 nan 8.290 nan 0.000 0.571 547 T N -0.278 114.249 114.554 -0.044 0.000 2.885 547 T HA 0.624 4.976 4.350 0.003 0.000 0.285 547 T C -1.261 173.404 174.700 -0.057 0.000 1.019 547 T CA -0.198 61.875 62.100 -0.045 0.000 1.010 547 T CB 1.857 70.703 68.868 -0.038 0.000 1.022 547 T HN 0.376 nan 8.240 nan 0.000 0.466 548 L N 3.114 124.300 121.223 -0.060 0.000 2.737 548 L HA 0.582 4.923 4.340 0.003 0.000 0.261 548 L C -1.389 175.443 176.870 -0.063 0.000 0.949 548 L CA -0.499 54.301 54.840 -0.068 0.000 0.952 548 L CB 1.524 43.530 42.059 -0.087 0.000 1.337 548 L HN 0.639 nan 8.230 nan 0.000 0.430 549 V N 2.087 121.964 119.914 -0.061 0.000 2.760 549 V HA 0.722 4.844 4.120 0.003 0.000 0.309 549 V C -0.770 175.282 176.094 -0.070 0.000 1.077 549 V CA -0.876 61.387 62.300 -0.063 0.000 0.910 549 V CB 1.909 33.694 31.823 -0.064 0.000 1.008 549 V HN 0.266 nan 8.190 nan 0.000 0.424 550 V N 3.726 123.599 119.914 -0.068 0.000 2.334 550 V HA 0.393 4.514 4.120 0.003 0.000 0.267 550 V C 0.383 176.365 176.094 -0.188 0.000 1.040 550 V CA -0.236 62.026 62.300 -0.063 0.000 0.866 550 V CB 0.872 32.722 31.823 0.046 0.000 1.019 550 V HN 0.981 nan 8.190 nan 0.000 0.468 551 K N 3.273 123.566 120.400 -0.178 0.000 2.143 551 K HA 0.709 5.031 4.320 0.003 0.000 0.272 551 K C 0.400 176.827 176.600 -0.288 0.000 1.001 551 K CA 0.032 56.169 56.287 -0.250 0.000 0.915 551 K CB 1.510 33.931 32.500 -0.132 0.000 1.047 551 K HN 0.809 nan 8.250 nan 0.000 0.458 552 G N 1.199 109.750 108.800 -0.416 0.000 2.976 552 G HA2 0.126 4.087 3.960 0.003 0.000 0.276 552 G HA3 0.126 4.087 3.960 0.003 0.000 0.276 552 G C -0.813 174.060 174.900 -0.045 0.000 1.207 552 G CA -0.334 44.657 45.100 -0.183 0.000 0.803 552 G HN 0.668 nan 8.290 nan 0.000 0.572 553 D N -1.925 118.551 120.400 0.127 0.000 2.469 553 D HA 0.117 4.759 4.640 0.003 0.000 0.240 553 D C 0.763 177.141 176.300 0.131 0.000 1.087 553 D CA 0.238 54.301 54.000 0.106 0.000 0.876 553 D CB 0.037 40.908 40.800 0.118 0.000 1.160 553 D HN 0.263 nan 8.370 nan 0.000 0.497 554 N N -0.783 118.059 118.700 0.237 0.000 2.828 554 N HA -0.135 4.606 4.740 0.003 0.000 0.248 554 N C -0.975 174.628 175.510 0.155 0.000 1.044 554 N CA 0.975 54.160 53.050 0.226 0.000 0.851 554 N CB -1.801 36.777 38.487 0.152 0.000 1.136 554 N HN 0.374 nan 8.380 nan 0.000 0.572 555 L N -1.159 120.148 121.223 0.140 0.000 2.334 555 L HA 0.608 4.949 4.340 0.003 0.000 0.277 555 L C 0.483 177.416 176.870 0.106 0.000 1.075 555 L CA -1.148 53.757 54.840 0.107 0.000 0.804 555 L CB 0.249 42.361 42.059 0.089 0.000 1.174 555 L HN -0.044 nan 8.230 nan 0.000 0.438 556 I N 1.837 122.460 120.570 0.089 0.000 2.792 556 I HA 0.044 4.216 4.170 0.003 0.000 0.284 556 I C 0.649 176.810 176.117 0.073 0.000 1.166 556 I CA 0.515 61.864 61.300 0.081 0.000 1.375 556 I CB -1.075 36.968 38.000 0.071 0.000 1.421 556 I HN 0.541 nan 8.210 nan 0.000 0.544 557 Q N 6.230 126.077 119.800 0.078 0.000 2.396 557 Q HA 0.530 4.872 4.340 0.003 0.000 0.221 557 Q C -0.225 175.798 176.000 0.039 0.000 1.025 557 Q CA -0.116 55.726 55.803 0.065 0.000 0.946 557 Q CB 1.265 30.053 28.738 0.084 0.000 1.224 557 Q HN 0.598 nan 8.270 nan 0.000 0.539 558 M N 1.437 121.047 119.600 0.017 0.000 2.456 558 M HA 0.379 4.861 4.480 0.003 0.000 0.324 558 M C -2.286 173.993 176.300 -0.035 0.000 1.124 558 M CA -2.093 53.203 55.300 -0.006 0.000 0.959 558 M CB 1.658 34.257 32.600 -0.001 0.000 1.692 558 M HN 0.140 nan 8.290 nan 0.000 0.444 559 P HA -0.095 nan 4.420 nan 0.000 0.263 559 P C 0.878 178.100 177.300 -0.130 0.000 1.162 559 P CA 1.426 64.475 63.100 -0.085 0.000 0.758 559 P CB 0.270 31.905 31.700 -0.108 0.000 0.773 560 G N 1.790 110.490 108.800 -0.167 0.000 2.256 560 G HA2 -0.266 3.695 3.960 0.003 0.000 0.279 560 G HA3 -0.266 3.695 3.960 0.003 0.000 0.279 560 G C 0.598 175.329 174.900 -0.282 0.000 0.998 560 G CA 0.380 45.343 45.100 -0.230 0.000 0.720 560 G HN 0.874 nan 8.290 nan 0.000 0.521 561 A N -0.314 122.372 122.820 -0.224 0.000 2.327 561 A HA 0.804 5.126 4.320 0.003 0.000 0.255 561 A C 0.967 178.385 177.584 -0.277 0.000 1.099 561 A CA 0.673 52.560 52.037 -0.250 0.000 0.801 561 A CB 0.446 19.369 19.000 -0.129 0.000 1.062 561 A HN 1.993 nan 8.150 nan 0.000 0.496 562 A N 1.471 124.138 122.820 -0.254 0.000 2.409 562 A HA 0.585 4.906 4.320 0.003 0.000 0.262 562 A C 0.064 177.666 177.584 0.030 0.000 1.113 562 A CA 0.107 52.110 52.037 -0.057 0.000 0.790 562 A CB -0.086 18.930 19.000 0.027 0.000 1.046 562 A HN 0.766 nan 8.150 nan 0.000 0.496 563 M N 1.828 121.466 119.600 0.063 0.000 2.457 563 M HA 0.411 4.893 4.480 0.003 0.000 0.300 563 M C -0.734 175.818 176.300 0.420 0.000 1.141 563 M CA -0.318 55.054 55.300 0.122 0.000 0.901 563 M CB 2.345 34.847 32.600 -0.163 0.000 1.687 563 M HN 0.770 nan 8.290 nan 0.000 0.449 564 K N 3.640 124.264 120.400 0.374 0.000 2.376 564 K HA 0.758 5.080 4.320 0.003 0.000 0.257 564 K C -1.251 175.520 176.600 0.285 0.000 0.939 564 K CA -0.489 55.981 56.287 0.305 0.000 0.809 564 K CB 1.891 34.502 32.500 0.185 0.000 1.121 564 K HN 0.713 nan 8.250 nan 0.000 0.425 565 I N 0.180 120.855 120.570 0.175 0.000 2.533 565 I HA 0.480 4.652 4.170 0.003 0.000 0.290 565 I C -0.921 175.207 176.117 0.017 0.000 1.056 565 I CA -1.093 60.279 61.300 0.119 0.000 1.057 565 I CB 1.978 40.050 38.000 0.120 0.000 1.240 565 I HN 0.279 nan 8.210 nan 0.000 0.423 566 K N 5.423 125.827 120.400 0.006 0.000 2.118 566 K HA 0.637 4.959 4.320 0.003 0.000 0.264 566 K C -1.025 175.548 176.600 -0.045 0.000 1.000 566 K CA -0.712 55.562 56.287 -0.022 0.000 0.929 566 K CB 1.754 34.241 32.500 -0.022 0.000 1.021 566 K HN 0.524 nan 8.250 nan 0.000 0.463 567 L N 2.872 124.066 121.223 -0.048 0.000 2.415 567 L HA 0.269 4.610 4.340 0.003 0.000 0.268 567 L C -0.959 175.882 176.870 -0.048 0.000 0.984 567 L CA -0.284 54.522 54.840 -0.056 0.000 0.853 567 L CB 1.578 43.598 42.059 -0.066 0.000 1.215 567 L HN 0.696 nan 8.230 nan 0.000 0.419 568 E N 2.660 122.829 120.200 -0.051 0.000 2.133 568 E HA 0.653 5.005 4.350 0.003 0.000 0.274 568 E C -0.077 176.496 176.600 -0.045 0.000 0.930 568 E CA -0.364 56.010 56.400 -0.044 0.000 0.770 568 E CB 2.491 32.166 29.700 -0.043 0.000 1.104 568 E HN 0.732 nan 8.360 nan 0.000 0.403 569 G N 2.559 111.336 108.800 -0.038 0.000 2.619 569 G HA2 0.220 4.182 3.960 0.003 0.000 0.305 569 G HA3 0.220 4.182 3.960 0.003 0.000 0.305 569 G C -1.498 173.383 174.900 -0.031 0.000 1.330 569 G CA -0.926 44.150 45.100 -0.040 0.000 0.789 569 G HN 0.437 nan 8.290 nan 0.000 0.487 570 D N 1.788 122.168 120.400 -0.033 0.000 2.383 570 D HA 0.415 5.057 4.640 0.003 0.000 0.252 570 D C -2.235 174.058 176.300 -0.012 0.000 1.166 570 D CA -0.517 53.468 54.000 -0.025 0.000 0.879 570 D CB 1.060 41.840 40.800 -0.034 0.000 1.164 570 D HN 0.023 nan 8.370 nan 0.000 0.462 571 P HA 0.003 nan 4.420 nan 0.000 0.264 571 P C 1.150 178.456 177.300 0.011 0.000 1.179 571 P CA 0.655 63.756 63.100 0.001 0.000 0.763 571 P CB 0.581 32.282 31.700 0.002 0.000 0.806 572 G N 1.470 110.280 108.800 0.016 0.000 2.189 572 G HA2 -0.267 3.695 3.960 0.003 0.000 0.267 572 G HA3 -0.267 3.695 3.960 0.003 0.000 0.267 572 G C 0.513 175.441 174.900 0.047 0.000 0.975 572 G CA 0.161 45.279 45.100 0.030 0.000 0.644 572 G HN 0.879 nan 8.290 nan 0.000 0.537 573 A N 0.138 122.980 122.820 0.037 0.000 2.498 573 A HA 0.561 4.883 4.320 0.003 0.000 0.239 573 A C 0.885 178.507 177.584 0.064 0.000 1.068 573 A CA 0.839 52.908 52.037 0.053 0.000 0.766 573 A CB 0.145 19.153 19.000 0.013 0.000 1.003 573 A HN 1.269 nan 8.150 nan 0.000 0.497 574 R N 2.217 122.784 120.500 0.112 0.000 2.207 574 R HA 0.510 4.852 4.340 0.003 0.000 0.334 574 R C -1.625 174.728 176.300 0.089 0.000 1.013 574 R CA -0.343 55.818 56.100 0.102 0.000 0.858 574 R CB 0.681 31.056 30.300 0.126 0.000 1.094 574 R HN 0.356 nan 8.270 nan 0.000 0.457 575 V N 3.635 123.569 119.914 0.032 0.000 2.459 575 V HA 0.539 4.660 4.120 0.003 0.000 0.295 575 V C 0.478 176.548 176.094 -0.040 0.000 1.029 575 V CA -0.701 61.594 62.300 -0.010 0.000 0.874 575 V CB 1.773 33.562 31.823 -0.056 0.000 0.985 575 V HN 0.951 nan 8.190 nan 0.000 0.438 576 G N 5.156 113.933 108.800 -0.040 0.000 2.522 576 G HA2 0.649 4.611 3.960 0.003 0.000 0.318 576 G HA3 0.649 4.611 3.960 0.003 0.000 0.318 576 G C -0.768 173.953 174.900 -0.299 0.000 1.192 576 G CA -0.406 44.589 45.100 -0.175 0.000 0.988 576 G HN 0.567 nan 8.290 nan 0.000 0.480 577 L N 1.680 122.676 121.223 -0.378 0.000 2.375 577 L HA 0.811 5.153 4.340 0.003 0.000 0.268 577 L C 0.001 176.582 176.870 -0.483 0.000 1.058 577 L CA -1.153 53.470 54.840 -0.362 0.000 0.803 577 L CB 1.924 43.794 42.059 -0.315 0.000 1.212 577 L HN 0.304 nan 8.230 nan 0.000 0.451 578 V N 0.482 120.169 119.914 -0.378 0.000 3.048 578 V HA 0.844 4.966 4.120 0.003 0.000 0.303 578 V C -1.315 174.584 176.094 -0.324 0.000 1.214 578 V CA -0.302 61.815 62.300 -0.304 0.000 0.984 578 V CB 2.104 33.829 31.823 -0.165 0.000 1.054 578 V HN 0.879 nan 8.190 nan 0.000 0.430 579 A N 4.837 127.393 122.820 -0.441 0.000 2.337 579 A HA 0.954 5.275 4.320 0.003 0.000 0.329 579 A C -1.152 176.260 177.584 -0.287 0.000 1.146 579 A CA -0.572 51.118 52.037 -0.578 0.000 0.800 579 A CB 1.833 20.005 19.000 -1.381 0.000 1.220 579 A HN 1.428 nan 8.150 nan 0.000 0.472 580 V N 2.027 121.946 119.914 0.009 0.000 2.851 580 V HA 0.221 4.343 4.120 0.003 0.000 0.307 580 V C -0.992 175.398 176.094 0.494 0.000 1.129 580 V CA -0.826 61.619 62.300 0.241 0.000 0.932 580 V CB 2.100 33.964 31.823 0.067 0.000 1.024 580 V HN 1.011 nan 8.190 nan 0.000 0.426 581 D N 4.250 125.001 120.400 0.586 0.000 2.412 581 D HA 0.037 4.679 4.640 0.003 0.000 0.257 581 D C 1.329 177.693 176.300 0.107 0.000 1.217 581 D CA 0.335 54.475 54.000 0.234 0.000 0.897 581 D CB 0.895 41.770 40.800 0.124 0.000 1.132 581 D HN 0.472 nan 8.370 nan 0.000 0.493 582 K N 3.300 123.732 120.400 0.053 0.000 2.159 582 K HA -0.347 3.974 4.320 0.003 0.000 0.217 582 K C 1.560 178.183 176.600 0.038 0.000 1.048 582 K CA 1.709 58.040 56.287 0.074 0.000 0.941 582 K CB -0.457 32.039 32.500 -0.008 0.000 0.738 582 K HN 0.626 nan 8.250 nan 0.000 0.469 583 A N 0.728 123.527 122.820 -0.036 0.000 1.941 583 A HA -0.299 4.023 4.320 0.003 0.000 0.220 583 A C 2.293 179.850 177.584 -0.045 0.000 1.407 583 A CA 3.628 55.615 52.037 -0.082 0.000 0.766 583 A CB -1.454 17.478 19.000 -0.113 0.000 0.838 583 A HN 0.208 nan 8.150 nan 0.000 0.482 584 V N -2.842 117.063 119.914 -0.016 0.000 2.317 584 V HA -0.341 3.781 4.120 0.003 0.000 0.251 584 V C 2.413 178.557 176.094 0.083 0.000 1.065 584 V CA 2.599 64.897 62.300 -0.004 0.000 1.049 584 V CB -1.608 30.206 31.823 -0.016 0.000 0.651 584 V HN 0.625 nan 8.190 nan 0.000 0.450 585 Y N 1.493 121.773 120.300 -0.033 0.000 2.224 585 Y HA -0.137 4.415 4.550 0.003 0.000 0.289 585 Y C 2.379 178.256 175.900 -0.039 0.000 1.146 585 Y CA 1.435 59.524 58.100 -0.018 0.000 1.182 585 Y CB -0.535 37.927 38.460 0.003 0.000 0.983 585 Y HN 0.156 nan 8.280 nan 0.000 0.524 586 V N -0.252 119.610 119.914 -0.086 0.000 2.302 586 V HA -0.256 3.866 4.120 0.003 0.000 0.243 586 V C 2.596 178.610 176.094 -0.133 0.000 1.036 586 V CA 1.493 63.670 62.300 -0.206 0.000 1.020 586 V CB -0.986 30.720 31.823 -0.194 0.000 0.657 586 V HN 0.293 nan 8.190 nan 0.000 0.453 587 L N 0.130 121.294 121.223 -0.098 0.000 2.103 587 L HA -0.206 4.136 4.340 0.003 0.000 0.215 587 L C 1.227 178.043 176.870 -0.089 0.000 1.080 587 L CA 1.563 56.352 54.840 -0.085 0.000 0.764 587 L CB -0.274 41.747 42.059 -0.064 0.000 0.890 587 L HN 0.392 nan 8.230 nan 0.000 0.435 588 N N -0.315 118.343 118.700 -0.070 0.000 2.851 588 N HA 0.036 4.778 4.740 0.003 0.000 0.248 588 N C -0.156 175.283 175.510 -0.119 0.000 1.221 588 N CA -0.161 52.800 53.050 -0.148 0.000 0.847 588 N CB 0.892 39.262 38.487 -0.196 0.000 1.150 588 N HN 0.074 nan 8.380 nan 0.000 0.507 589 D N 1.245 121.569 120.400 -0.127 0.000 2.084 589 D HA -0.178 4.464 4.640 0.003 0.000 0.194 589 D C 1.739 178.019 176.300 -0.033 0.000 0.990 589 D CA 1.304 55.264 54.000 -0.067 0.000 0.826 589 D CB 0.443 41.193 40.800 -0.083 0.000 0.971 589 D HN 0.449 nan 8.370 nan 0.000 0.453 590 K N -0.217 120.124 120.400 -0.099 0.000 2.113 590 K HA -0.201 4.121 4.320 0.003 0.000 0.208 590 K C 1.942 178.664 176.600 0.204 0.000 1.047 590 K CA 1.238 57.537 56.287 0.020 0.000 0.928 590 K CB -0.176 32.337 32.500 0.023 0.000 0.716 590 K HN 0.135 nan 8.250 nan 0.000 0.446 591 Y N 1.029 121.391 120.300 0.104 0.000 2.457 591 Y HA 0.104 4.656 4.550 0.003 0.000 0.292 591 Y C 0.824 176.781 175.900 0.094 0.000 1.125 591 Y CA 0.050 58.213 58.100 0.105 0.000 1.254 591 Y CB -0.676 37.878 38.460 0.157 0.000 1.012 591 Y HN 0.026 nan 8.280 nan 0.000 0.555 592 K N 1.764 122.309 120.400 0.242 0.000 2.469 592 K HA 0.008 4.330 4.320 0.003 0.000 0.274 592 K C 0.120 176.794 176.600 0.123 0.000 0.983 592 K CA -0.102 56.294 56.287 0.182 0.000 0.974 592 K CB 0.247 32.858 32.500 0.186 0.000 0.913 592 K HN 0.251 nan 8.250 nan 0.000 0.493 593 I N 2.105 122.730 120.570 0.092 0.000 2.474 593 I HA 0.138 4.310 4.170 0.003 0.000 0.287 593 I C -0.625 175.461 176.117 -0.052 0.000 1.048 593 I CA 0.177 61.486 61.300 0.014 0.000 1.383 593 I CB 1.138 39.165 38.000 0.044 0.000 1.412 593 I HN 0.678 nan 8.210 nan 0.000 0.531 594 S N 4.738 120.358 115.700 -0.135 0.000 2.564 594 S HA 0.241 4.713 4.470 0.003 0.000 0.274 594 S C 0.341 174.789 174.600 -0.252 0.000 1.124 594 S CA -0.614 57.503 58.200 -0.140 0.000 0.869 594 S CB 1.951 65.117 63.200 -0.057 0.000 1.105 594 S HN 0.795 nan 8.310 nan 0.000 0.472 595 Q N 2.576 122.231 119.800 -0.242 0.000 2.133 595 Q HA -0.050 4.292 4.340 0.003 0.000 0.208 595 Q C 2.152 177.977 176.000 -0.292 0.000 0.991 595 Q CA 2.945 58.539 55.803 -0.349 0.000 0.867 595 Q CB -1.004 27.600 28.738 -0.224 0.000 0.911 595 Q HN 0.926 nan 8.270 nan 0.000 0.417 596 A N 0.500 123.249 122.820 -0.119 0.000 1.842 596 A HA -0.308 4.014 4.320 0.003 0.000 0.217 596 A C 2.055 179.604 177.584 -0.058 0.000 1.206 596 A CA 2.235 54.259 52.037 -0.023 0.000 0.630 596 A CB -0.747 18.256 19.000 0.005 0.000 0.839 596 A HN 0.427 nan 8.150 nan 0.000 0.447 597 K N -0.524 119.810 120.400 -0.110 0.000 2.113 597 K HA -0.120 4.202 4.320 0.003 0.000 0.208 597 K C 1.838 178.289 176.600 -0.247 0.000 1.047 597 K CA 1.485 57.700 56.287 -0.121 0.000 0.928 597 K CB -0.390 32.049 32.500 -0.102 0.000 0.716 597 K HN 0.573 nan 8.250 nan 0.000 0.446 598 I N -0.372 119.897 120.570 -0.502 0.000 2.039 598 I HA -0.343 3.829 4.170 0.003 0.000 0.233 598 I C 2.126 178.119 176.117 -0.207 0.000 1.040 598 I CA 1.873 62.732 61.300 -0.735 0.000 1.308 598 I CB -0.679 36.739 38.000 -0.969 0.000 1.035 598 I HN 0.394 nan 8.210 nan 0.000 0.392 599 W N 1.375 122.600 121.300 -0.125 0.000 2.302 599 W HA -0.292 4.369 4.660 0.003 0.000 0.320 599 W C 2.517 179.007 176.519 -0.049 0.000 1.241 599 W CA 0.679 57.989 57.345 -0.059 0.000 1.264 599 W CB -0.509 28.918 29.460 -0.055 0.000 1.154 599 W HN 0.242 nan 8.180 nan 0.000 0.483 600 D N -0.505 120.016 120.400 0.202 0.000 2.126 600 D HA -0.194 4.448 4.640 0.003 0.000 0.190 600 D C 1.910 178.242 176.300 0.053 0.000 1.001 600 D CA 2.332 56.399 54.000 0.111 0.000 0.841 600 D CB -1.246 39.596 40.800 0.071 0.000 0.949 600 D HN 0.077 nan 8.370 nan 0.000 0.446 601 T N 0.662 115.222 114.554 0.011 0.000 2.897 601 T HA -0.087 4.265 4.350 0.003 0.000 0.271 601 T C 2.075 176.592 174.700 -0.306 0.000 1.084 601 T CA 0.638 62.686 62.100 -0.086 0.000 1.123 601 T CB -0.078 68.791 68.868 0.002 0.000 0.865 601 T HN 0.234 nan 8.240 nan 0.000 0.496 602 I N 0.087 120.589 120.570 -0.115 0.000 2.556 602 I HA 0.037 4.209 4.170 0.003 0.000 0.251 602 I C 2.571 178.737 176.117 0.082 0.000 1.105 602 I CA 0.546 61.792 61.300 -0.089 0.000 1.436 602 I CB -0.356 37.844 38.000 0.333 0.000 1.139 602 I HN 0.148 nan 8.210 nan 0.000 0.438 603 E N 2.058 122.332 120.200 0.123 0.000 2.113 603 E HA -0.279 4.073 4.350 0.003 0.000 0.210 603 E C 1.080 177.713 176.600 0.056 0.000 1.040 603 E CA 1.558 58.020 56.400 0.103 0.000 0.847 603 E CB -0.035 29.735 29.700 0.116 0.000 0.755 603 E HN 0.322 nan 8.360 nan 0.000 0.459 604 K N 0.227 120.635 120.400 0.013 0.000 3.386 604 K HA -0.055 4.267 4.320 0.003 0.000 0.290 604 K C 0.934 177.520 176.600 -0.023 0.000 0.745 604 K CA 0.518 56.794 56.287 -0.018 0.000 1.009 604 K CB -0.143 32.343 32.500 -0.024 0.000 1.031 604 K HN 0.146 nan 8.250 nan 0.000 0.406 605 S N -1.305 114.382 115.700 -0.021 0.000 2.784 605 S HA -0.084 4.388 4.470 0.003 0.000 0.266 605 S C 0.334 174.747 174.600 -0.311 0.000 1.079 605 S CA -0.444 57.687 58.200 -0.114 0.000 0.989 605 S CB -0.040 63.220 63.200 0.100 0.000 0.926 605 S HN 0.420 nan 8.310 nan 0.000 0.497 606 D N 2.472 122.809 120.400 -0.106 0.000 2.502 606 D HA -0.046 4.596 4.640 0.003 0.000 0.249 606 D C -0.023 176.232 176.300 -0.075 0.000 1.188 606 D CA -0.234 53.739 54.000 -0.045 0.000 0.890 606 D CB -0.085 40.785 40.800 0.116 0.000 1.140 606 D HN 0.322 nan 8.370 nan 0.000 0.505 607 F N 2.196 122.179 119.950 0.055 0.000 2.724 607 F HA 0.134 4.663 4.527 0.003 0.000 0.297 607 F C 2.099 177.908 175.800 0.016 0.000 1.200 607 F CA 0.496 58.514 58.000 0.029 0.000 1.468 607 F CB -0.378 38.632 39.000 0.017 0.000 1.116 607 F HN 0.442 nan 8.300 nan 0.000 0.599 608 G N -1.268 107.619 108.800 0.146 0.000 2.634 608 G HA2 0.246 4.208 3.960 0.003 0.000 0.255 608 G HA3 0.246 4.208 3.960 0.003 0.000 0.255 608 G C 0.222 175.120 174.900 -0.003 0.000 1.205 608 G CA -0.184 44.959 45.100 0.072 0.000 0.884 608 G HN 0.394 nan 8.290 nan 0.000 0.549 609 c N -0.769 117.812 118.600 -0.031 0.000 4.154 609 c HA 0.400 4.972 4.570 0.003 0.000 0.359 609 c C 0.756 174.797 174.090 -0.081 0.000 1.702 609 c CA 0.393 56.690 56.329 -0.054 0.000 1.900 609 c CB -0.893 41.617 42.510 -0.000 0.000 3.051 609 c HN 1.039 nan 8.230 nan 0.000 0.670 610 T N -2.338 112.167 114.554 -0.081 0.000 2.841 610 T HA 0.644 4.995 4.350 0.003 0.000 0.296 610 T C 0.828 175.462 174.700 -0.109 0.000 1.166 610 T CA 0.355 62.404 62.100 -0.085 0.000 1.007 610 T CB 1.407 70.278 68.868 0.005 0.000 1.253 610 T HN 0.034 nan 8.240 nan 0.000 0.511 611 A N -0.087 122.686 122.820 -0.077 0.000 2.234 611 A HA 0.518 4.840 4.320 0.003 0.000 0.216 611 A C 1.432 179.085 177.584 0.116 0.000 1.167 611 A CA 1.254 53.294 52.037 0.006 0.000 0.698 611 A CB -1.377 17.664 19.000 0.068 0.000 0.779 611 A HN 2.122 nan 8.150 nan 0.000 0.475 612 G N -3.191 105.665 108.800 0.092 0.000 2.347 612 G HA2 0.451 4.413 3.960 0.003 0.000 0.341 612 G HA3 0.451 4.413 3.960 0.003 0.000 0.341 612 G C 0.105 175.081 174.900 0.126 0.000 1.287 612 G CA 0.013 45.178 45.100 0.109 0.000 0.984 612 G HN 1.734 nan 8.290 nan 0.000 0.526 613 S N -2.695 113.054 115.700 0.081 0.000 3.443 613 S HA 0.415 4.887 4.470 0.003 0.000 0.635 613 S C 0.856 175.459 174.600 0.005 0.000 2.555 613 S CA 1.925 60.144 58.200 0.031 0.000 2.778 613 S CB -1.043 62.231 63.200 0.123 0.000 0.331 613 S HN 3.059 nan 8.310 nan 0.000 1.765 614 G N -1.028 107.650 108.800 -0.203 0.000 2.441 614 G HA2 0.457 4.418 3.960 0.003 0.000 0.294 614 G HA3 0.457 4.418 3.960 0.003 0.000 0.294 614 G C -0.169 173.852 174.900 -1.465 0.000 1.393 614 G CA 0.486 45.220 45.100 -0.610 0.000 0.796 614 G HN 0.572 nan 8.290 nan 0.000 0.494 615 Q N -0.443 118.545 119.800 -1.352 0.000 2.112 615 Q HA -0.116 4.225 4.340 0.003 0.000 0.206 615 Q C 0.839 176.592 176.000 -0.411 0.000 0.987 615 Q CA 2.207 57.478 55.803 -0.887 0.000 0.858 615 Q CB -0.209 28.299 28.738 -0.383 0.000 0.905 615 Q HN 0.751 nan 8.270 nan 0.000 0.420 616 N N -2.140 116.375 118.700 -0.308 0.000 3.116 616 N HA -0.004 4.737 4.740 0.003 0.000 0.244 616 N C 0.090 175.618 175.510 0.030 0.000 1.485 616 N CA -0.087 53.000 53.050 0.062 0.000 0.884 616 N CB -0.094 38.421 38.487 0.045 0.000 1.415 616 N HN -0.206 nan 8.380 nan 0.000 0.524 617 N N 0.380 119.262 118.700 0.304 0.000 2.094 617 N HA -0.202 4.540 4.740 0.003 0.000 0.191 617 N C 1.134 176.657 175.510 0.022 0.000 1.023 617 N CA 1.546 54.706 53.050 0.185 0.000 0.857 617 N CB -0.549 38.043 38.487 0.176 0.000 1.013 617 N HN 0.584 nan 8.380 nan 0.000 0.426 618 L N -0.053 121.146 121.223 -0.040 0.000 1.989 618 L HA -0.078 4.264 4.340 0.003 0.000 0.211 618 L C 2.560 179.443 176.870 0.022 0.000 1.071 618 L CA 1.788 56.588 54.840 -0.067 0.000 0.749 618 L CB -1.093 40.926 42.059 -0.067 0.000 0.890 618 L HN 0.456 nan 8.230 nan 0.000 0.431 619 G N -1.063 107.717 108.800 -0.034 0.000 2.450 619 G HA2 -0.248 3.713 3.960 0.003 0.000 0.220 619 G HA3 -0.248 3.713 3.960 0.003 0.000 0.220 619 G C 1.630 176.510 174.900 -0.033 0.000 1.130 619 G CA 0.884 45.940 45.100 -0.073 0.000 0.760 619 G HN 0.244 nan 8.290 nan 0.000 0.557 620 V N 0.084 119.993 119.914 -0.009 0.000 2.255 620 V HA -0.143 3.979 4.120 0.003 0.000 0.247 620 V C 2.541 178.715 176.094 0.134 0.000 1.051 620 V CA 1.966 64.293 62.300 0.044 0.000 1.018 620 V CB -0.453 31.407 31.823 0.061 0.000 0.641 620 V HN 0.457 nan 8.190 nan 0.000 0.445 621 F N 0.317 120.255 119.950 -0.020 0.000 2.134 621 F HA -0.182 4.347 4.527 0.002 0.000 0.299 621 F C 2.387 178.187 175.800 -0.001 0.000 1.097 621 F CA 1.839 59.844 58.000 0.008 0.000 1.264 621 F CB -0.269 38.739 39.000 0.014 0.000 1.001 621 F HN 0.250 nan 8.300 nan 0.000 0.479 622 E N 0.445 120.746 120.200 0.168 0.000 2.012 622 E HA -0.236 4.115 4.350 0.003 0.000 0.197 622 E C 1.684 178.318 176.600 0.055 0.000 1.007 622 E CA 1.705 58.151 56.400 0.077 0.000 0.816 622 E CB -0.403 29.322 29.700 0.041 0.000 0.762 622 E HN 0.306 nan 8.360 nan 0.000 0.451 623 D N 0.642 121.072 120.400 0.049 0.000 2.158 623 D HA -0.145 4.497 4.640 0.003 0.000 0.197 623 D C 1.513 177.838 176.300 0.042 0.000 0.995 623 D CA 1.488 55.517 54.000 0.048 0.000 0.846 623 D CB -0.240 40.598 40.800 0.062 0.000 0.941 623 D HN 0.239 nan 8.370 nan 0.000 0.456 624 A N -0.636 122.203 122.820 0.031 0.000 2.276 624 A HA 0.447 4.769 4.320 0.003 0.000 0.212 624 A C 1.728 179.337 177.584 0.042 0.000 1.230 624 A CA 0.887 52.936 52.037 0.021 0.000 0.844 624 A CB -0.545 18.432 19.000 -0.038 0.000 0.860 624 A HN 0.262 nan 8.150 nan 0.000 0.486 625 G N -1.525 107.310 108.800 0.058 0.000 2.143 625 G HA2 -0.221 3.741 3.960 0.003 0.000 0.249 625 G HA3 -0.221 3.741 3.960 0.003 0.000 0.249 625 G C 0.052 174.970 174.900 0.030 0.000 0.981 625 G CA 0.507 45.658 45.100 0.084 0.000 0.665 625 G HN 0.461 nan 8.290 nan 0.000 0.528 626 L N -0.045 121.191 121.223 0.022 0.000 2.358 626 L HA 0.872 5.214 4.340 0.003 0.000 0.268 626 L C 0.606 177.520 176.870 0.072 0.000 1.032 626 L CA -0.548 54.312 54.840 0.033 0.000 0.805 626 L CB 1.910 43.977 42.059 0.012 0.000 1.253 626 L HN 0.332 nan 8.230 nan 0.000 0.452 627 A N 1.710 124.574 122.820 0.074 0.000 2.401 627 A HA 0.841 5.162 4.320 0.003 0.000 0.310 627 A C -1.582 176.067 177.584 0.109 0.000 1.075 627 A CA -0.418 51.654 52.037 0.058 0.000 0.746 627 A CB 1.787 20.767 19.000 -0.033 0.000 1.277 627 A HN 0.474 nan 8.150 nan 0.000 0.425 628 L N 0.795 122.057 121.223 0.065 0.000 2.431 628 L HA 0.827 5.169 4.340 0.003 0.000 0.266 628 L C -0.693 176.158 176.870 -0.032 0.000 0.978 628 L CA 0.326 55.181 54.840 0.025 0.000 0.822 628 L CB 2.416 44.426 42.059 -0.082 0.000 1.310 628 L HN 0.657 nan 8.230 nan 0.000 0.409 629 T N 2.673 117.217 114.554 -0.018 0.000 2.921 629 T HA 0.725 5.077 4.350 0.003 0.000 0.297 629 T C -0.848 173.848 174.700 -0.007 0.000 1.013 629 T CA -0.272 61.817 62.100 -0.019 0.000 0.990 629 T CB 1.408 70.276 68.868 -0.000 0.000 1.023 629 T HN 0.839 nan 8.240 nan 0.000 0.447 630 T N -0.809 113.732 114.554 -0.021 0.000 2.924 630 T HA 0.473 4.825 4.350 0.003 0.000 0.291 630 T C 1.688 176.406 174.700 0.029 0.000 1.045 630 T CA -0.161 61.938 62.100 -0.001 0.000 1.015 630 T CB 1.528 70.359 68.868 -0.062 0.000 1.103 630 T HN 0.463 nan 8.240 nan 0.000 0.496 631 S N 0.697 116.445 115.700 0.081 0.000 2.413 631 S HA -0.201 4.271 4.470 0.003 0.000 0.237 631 S C 1.631 176.256 174.600 0.042 0.000 1.044 631 S CA 1.762 60.026 58.200 0.105 0.000 1.024 631 S CB -1.601 61.714 63.200 0.191 0.000 0.829 631 S HN 1.228 nan 8.310 nan 0.000 0.475 632 T N -1.094 113.462 114.554 0.003 0.000 3.332 632 T HA 0.307 4.659 4.350 0.003 0.000 0.246 632 T C 0.171 174.855 174.700 -0.026 0.000 0.943 632 T CA -0.285 61.803 62.100 -0.020 0.000 0.922 632 T CB -1.226 67.614 68.868 -0.048 0.000 1.086 632 T HN 0.308 nan 8.240 nan 0.000 0.590 633 N N 0.992 119.683 118.700 -0.014 0.000 2.702 633 N HA -0.147 4.595 4.740 0.003 0.000 0.261 633 N C -0.669 174.820 175.510 -0.035 0.000 0.965 633 N CA 0.571 53.610 53.050 -0.019 0.000 0.795 633 N CB -1.241 37.239 38.487 -0.011 0.000 0.909 633 N HN 0.710 nan 8.380 nan 0.000 0.546 634 L N -0.314 120.877 121.223 -0.053 0.000 2.298 634 L HA 0.593 4.935 4.340 0.003 0.000 0.284 634 L C -0.652 176.168 176.870 -0.083 0.000 1.013 634 L CA -0.617 54.179 54.840 -0.073 0.000 0.824 634 L CB 1.095 43.095 42.059 -0.100 0.000 1.221 634 L HN 0.057 nan 8.230 nan 0.000 0.418 635 N N 1.881 120.539 118.700 -0.070 0.000 2.321 635 N HA 0.477 5.219 4.740 0.003 0.000 0.290 635 N C -0.844 174.629 175.510 -0.061 0.000 1.212 635 N CA -0.365 52.646 53.050 -0.064 0.000 0.767 635 N CB 1.875 40.337 38.487 -0.042 0.000 1.494 635 N HN 0.712 nan 8.380 nan 0.000 0.479 636 T N -1.201 113.322 114.554 -0.051 0.000 2.918 636 T HA 0.256 4.608 4.350 0.003 0.000 0.302 636 T C 0.529 175.210 174.700 -0.031 0.000 1.045 636 T CA -0.392 61.690 62.100 -0.030 0.000 1.114 636 T CB 0.484 69.354 68.868 0.003 0.000 0.965 636 T HN 0.157 nan 8.240 nan 0.000 0.540 637 K N 1.663 122.049 120.400 -0.023 0.000 2.542 637 K HA 0.007 4.329 4.320 0.003 0.000 0.276 637 K C 0.795 177.374 176.600 -0.036 0.000 0.963 637 K CA 0.159 56.433 56.287 -0.022 0.000 0.975 637 K CB 0.166 32.659 32.500 -0.012 0.000 0.901 637 K HN 0.536 nan 8.250 nan 0.000 0.506 638 Q N 2.142 121.922 119.800 -0.033 0.000 2.271 638 Q HA -0.012 4.330 4.340 0.003 0.000 0.273 638 Q C -0.326 175.632 176.000 -0.069 0.000 1.051 638 Q CA 0.154 55.924 55.803 -0.056 0.000 0.901 638 Q CB 0.739 29.469 28.738 -0.014 0.000 1.174 638 Q HN 0.288 nan 8.270 nan 0.000 0.385 639 R N 1.472 121.892 120.500 -0.134 0.000 2.489 639 R HA 0.049 4.391 4.340 0.003 0.000 0.287 639 R C 0.661 176.881 176.300 -0.133 0.000 1.053 639 R CA 0.605 56.621 56.100 -0.139 0.000 1.036 639 R CB 0.367 30.543 30.300 -0.206 0.000 0.966 639 R HN 0.499 nan 8.270 nan 0.000 0.432 640 S N 2.101 117.773 115.700 -0.047 0.000 2.421 640 S HA 0.404 4.876 4.470 0.003 0.000 0.224 640 S C -0.179 174.438 174.600 0.028 0.000 1.035 640 S CA 0.573 58.783 58.200 0.017 0.000 0.953 640 S CB 0.214 63.440 63.200 0.043 0.000 0.810 640 S HN 0.853 nan 8.310 nan 0.000 0.497 641 A N 0.038 122.862 122.820 0.007 0.000 2.440 641 A HA 0.611 4.932 4.320 0.003 0.000 0.298 641 A C -0.776 176.859 177.584 0.086 0.000 0.955 641 A CA -0.511 51.548 52.037 0.036 0.000 0.581 641 A CB -0.546 18.505 19.000 0.084 0.000 1.424 641 A HN 0.616 nan 8.150 nan 0.000 0.484 642 A N 0.390 123.312 122.820 0.170 0.000 2.409 642 A HA 0.645 4.967 4.320 0.003 0.000 0.246 642 A C 0.614 178.291 177.584 0.155 0.000 1.099 642 A CA 1.522 53.724 52.037 0.274 0.000 0.789 642 A CB -0.188 19.027 19.000 0.358 0.000 1.053 642 A HN 2.708 nan 8.150 nan 0.000 0.503 643 K N -1.958 118.518 120.400 0.126 0.000 3.761 643 K HA -0.087 4.234 4.320 0.003 0.000 0.608 643 K C -1.240 175.402 176.600 0.070 0.000 2.573 643 K CA 0.522 56.853 56.287 0.074 0.000 1.978 643 K CB -1.766 30.772 32.500 0.065 0.000 2.706 643 K HN 1.059 nan 8.250 nan 0.000 0.171 644 c N 2.576 121.202 118.600 0.043 0.000 2.626 644 c HA 0.633 5.205 4.570 0.003 0.000 0.310 644 c C -2.341 171.765 174.090 0.027 0.000 1.191 644 c CA -1.225 55.126 56.329 0.037 0.000 1.517 644 c CB 0.980 43.505 42.510 0.025 0.000 2.102 644 c HN 0.751 nan 8.230 nan 0.000 0.479 645 P HA 0.166 nan 4.420 nan 0.000 0.266 645 P C -0.468 176.843 177.300 0.017 0.000 1.215 645 P CA 0.408 63.523 63.100 0.025 0.000 0.763 645 P CB 0.534 32.251 31.700 0.027 0.000 0.806 737 D N -0.730 119.642 120.400 -0.047 0.000 3.028 737 D HA -0.195 4.446 4.640 0.003 0.000 0.211 737 D C 0.862 177.031 176.300 -0.218 0.000 1.136 737 D CA 1.949 55.897 54.000 -0.086 0.000 0.987 737 D CB -1.058 39.700 40.800 -0.071 0.000 1.128 737 D HN 0.493 nan 8.370 nan 0.000 0.406 738 G N -1.876 106.624 108.800 -0.500 0.000 2.920 738 G HA2 0.334 4.295 3.960 0.003 0.000 0.208 738 G HA3 0.334 4.295 3.960 0.003 0.000 0.208 738 G C 0.433 174.833 174.900 -0.833 0.000 1.159 738 G CA 0.296 44.947 45.100 -0.748 0.000 0.784 738 G HN 0.301 nan 8.290 nan 0.000 0.535 739 F N -1.380 118.589 119.950 0.032 0.000 3.064 739 F HA 0.692 5.221 4.527 0.003 0.000 0.353 739 F C -0.226 175.589 175.800 0.024 0.000 1.393 739 F CA -1.601 56.422 58.000 0.039 0.000 1.080 739 F CB 0.385 39.424 39.000 0.066 0.000 1.619 739 F HN -0.270 nan 8.300 nan 0.000 0.465 740 I N 0.392 121.138 120.570 0.293 0.000 2.562 740 I HA 0.614 4.786 4.170 0.003 0.000 0.301 740 I C -0.411 175.789 176.117 0.138 0.000 1.003 740 I CA -0.782 60.610 61.300 0.154 0.000 1.127 740 I CB 1.646 39.720 38.000 0.122 0.000 1.304 740 I HN 0.569 nan 8.210 nan 0.000 0.446 741 A N 4.507 127.384 122.820 0.093 0.000 2.451 741 A HA 0.098 4.420 4.320 0.003 0.000 0.266 741 A C 1.309 178.937 177.584 0.073 0.000 1.119 741 A CA -0.062 52.023 52.037 0.080 0.000 0.786 741 A CB -0.125 18.909 19.000 0.057 0.000 1.061 741 A HN 0.903 nan 8.150 nan 0.000 0.503 742 D N 2.995 123.440 120.400 0.075 0.000 2.170 742 D HA -0.233 4.409 4.640 0.003 0.000 0.193 742 D C 1.628 177.962 176.300 0.056 0.000 1.004 742 D CA 2.234 56.274 54.000 0.067 0.000 0.860 742 D CB 0.040 40.880 40.800 0.066 0.000 0.931 742 D HN 0.607 nan 8.370 nan 0.000 0.448 743 S N 0.020 115.751 115.700 0.051 0.000 2.419 743 S HA -0.158 4.314 4.470 0.003 0.000 0.235 743 S C 1.337 175.959 174.600 0.038 0.000 1.019 743 S CA 1.288 59.513 58.200 0.041 0.000 0.982 743 S CB -0.055 63.167 63.200 0.036 0.000 0.789 743 S HN 0.276 nan 8.310 nan 0.000 0.490 744 D N 0.456 120.881 120.400 0.042 0.000 2.366 744 D HA 0.290 4.932 4.640 0.003 0.000 0.205 744 D C 0.400 176.725 176.300 0.043 0.000 1.022 744 D CA 0.012 54.035 54.000 0.037 0.000 0.868 744 D CB 0.094 40.915 40.800 0.035 0.000 0.953 744 D HN 0.369 nan 8.370 nan 0.000 0.514 745 I N 3.094 123.697 120.570 0.054 0.000 2.396 745 I HA 0.035 4.206 4.170 0.003 0.000 0.289 745 I C -0.387 175.759 176.117 0.049 0.000 1.056 745 I CA -0.369 60.968 61.300 0.062 0.000 1.365 745 I CB 0.519 38.566 38.000 0.079 0.000 1.407 745 I HN -0.129 nan 8.210 nan 0.000 0.509 746 I N 5.074 125.668 120.570 0.040 0.000 2.359 746 I HA 0.355 4.527 4.170 0.003 0.000 0.284 746 I C 0.168 176.299 176.117 0.023 0.000 1.018 746 I CA -0.473 60.842 61.300 0.026 0.000 1.173 746 I CB 0.496 38.502 38.000 0.009 0.000 1.326 746 I HN 0.380 nan 8.210 nan 0.000 0.462 747 S N 6.369 122.087 115.700 0.030 0.000 2.563 747 S HA 0.274 4.745 4.470 0.003 0.000 0.284 747 S C 0.389 175.001 174.600 0.019 0.000 1.331 747 S CA -0.540 57.682 58.200 0.038 0.000 1.047 747 S CB 0.699 63.929 63.200 0.050 0.000 0.859 747 S HN 0.614 nan 8.310 nan 0.000 0.514 748 R N 1.102 121.623 120.500 0.034 0.000 2.340 748 R HA 0.318 4.660 4.340 0.003 0.000 0.300 748 R C 0.667 176.994 176.300 0.046 0.000 1.069 748 R CA 0.091 56.168 56.100 -0.038 0.000 0.984 748 R CB 0.788 31.061 30.300 -0.045 0.000 1.003 748 R HN 0.939 nan 8.270 nan 0.000 0.459 749 S N -0.517 115.086 115.700 -0.161 0.000 2.744 749 S HA 0.038 4.509 4.470 0.003 0.000 0.265 749 S C -0.237 174.311 174.600 -0.088 0.000 1.065 749 S CA -0.496 57.729 58.200 0.042 0.000 1.191 749 S CB 0.549 63.754 63.200 0.009 0.000 1.150 749 S HN 0.532 nan 8.310 nan 0.000 0.646 750 D N 0.798 120.836 120.400 -0.603 0.000 2.505 750 D HA 0.492 5.134 4.640 0.003 0.000 0.250 750 D C -1.731 174.140 176.300 -0.714 0.000 1.164 750 D CA -0.532 53.199 54.000 -0.448 0.000 0.870 750 D CB 0.723 41.333 40.800 -0.317 0.000 1.160 750 D HN 0.240 nan 8.370 nan 0.000 0.549 751 F N 4.739 124.672 119.950 -0.028 0.000 2.809 751 F HA 0.325 4.854 4.527 0.003 0.000 0.369 751 F C -1.792 174.041 175.800 0.055 0.000 1.225 751 F CA -1.312 56.706 58.000 0.030 0.000 1.201 751 F CB 1.233 40.239 39.000 0.010 0.000 1.527 751 F HN 0.071 nan 8.300 nan 0.000 0.565 752 P HA 0.372 nan 4.420 nan 0.000 0.307 752 P C -0.204 177.292 177.300 0.326 0.000 1.306 752 P CA -0.304 62.908 63.100 0.186 0.000 0.742 752 P CB 1.607 33.362 31.700 0.092 0.000 1.349 753 K N -1.450 119.117 120.400 0.278 0.000 2.464 753 K HA 0.208 4.530 4.320 0.003 0.000 0.206 753 K C -0.001 176.807 176.600 0.347 0.000 1.186 753 K CA 0.071 56.535 56.287 0.295 0.000 0.990 753 K CB 0.545 33.105 32.500 0.100 0.000 1.003 753 K HN 0.511 nan 8.250 nan 0.000 0.562 754 S N 0.575 116.459 115.700 0.307 0.000 2.626 754 S HA 0.532 5.003 4.470 0.003 0.000 0.275 754 S C -1.272 173.499 174.600 0.285 0.000 1.175 754 S CA -1.155 57.195 58.200 0.250 0.000 0.982 754 S CB 0.691 63.972 63.200 0.135 0.000 1.093 754 S HN 0.331 nan 8.310 nan 0.000 0.472 755 W N 1.843 123.126 121.300 -0.028 0.000 3.069 755 W HA 0.726 5.387 4.660 0.003 0.000 0.390 755 W C -0.369 176.149 176.519 -0.001 0.000 1.130 755 W CA -1.360 55.959 57.345 -0.042 0.000 1.138 755 W CB -0.376 28.988 29.460 -0.160 0.000 1.497 755 W HN 1.195 nan 8.180 nan 0.000 0.600 756 L N 1.970 123.291 121.223 0.165 0.000 3.762 756 L HA -0.214 4.128 4.340 0.003 0.000 0.460 756 L C -0.412 176.420 176.870 -0.063 0.000 1.255 756 L CA -0.034 54.760 54.840 -0.077 0.000 0.783 756 L CB -1.477 40.233 42.059 -0.582 0.000 1.600 756 L HN 0.566 nan 8.230 nan 0.000 0.862 757 W N 4.265 125.506 121.300 -0.098 0.000 2.422 757 W HA 0.516 5.178 4.660 0.003 0.000 0.349 757 W C -0.827 175.638 176.519 -0.091 0.000 1.062 757 W CA -0.657 56.627 57.345 -0.102 0.000 1.497 757 W CB 0.366 29.778 29.460 -0.081 0.000 1.407 757 W HN 0.277 nan 8.180 nan 0.000 0.393 758 L N 4.168 125.259 121.223 -0.219 0.000 2.301 758 L HA 0.511 4.853 4.340 0.003 0.000 0.264 758 L C 0.077 176.815 176.870 -0.220 0.000 1.016 758 L CA -0.744 54.006 54.840 -0.150 0.000 0.821 758 L CB 2.654 44.633 42.059 -0.132 0.000 1.346 758 L HN -0.046 nan 8.230 nan 0.000 0.429 759 T N 1.683 116.173 114.554 -0.107 0.000 3.009 759 T HA 0.311 4.663 4.350 0.003 0.000 0.346 759 T C -0.477 174.205 174.700 -0.029 0.000 1.092 759 T CA -0.684 61.374 62.100 -0.070 0.000 1.080 759 T CB 0.548 69.403 68.868 -0.022 0.000 1.037 759 T HN 0.265 nan 8.240 nan 0.000 0.487 760 K N 2.228 122.598 120.400 -0.050 0.000 2.098 760 K HA 0.436 4.757 4.320 0.003 0.000 0.261 760 K C -0.635 175.958 176.600 -0.011 0.000 0.987 760 K CA -0.786 55.481 56.287 -0.033 0.000 0.916 760 K CB 1.349 33.811 32.500 -0.063 0.000 1.039 760 K HN 0.423 nan 8.250 nan 0.000 0.455 761 D N 2.285 122.686 120.400 0.002 0.000 2.408 761 D HA 0.196 4.838 4.640 0.003 0.000 0.243 761 D C -0.354 175.949 176.300 0.006 0.000 1.075 761 D CA -0.588 53.421 54.000 0.014 0.000 0.832 761 D CB 1.348 42.164 40.800 0.027 0.000 1.162 761 D HN 0.128 nan 8.370 nan 0.000 0.515 762 L N 2.892 124.118 121.223 0.005 0.000 2.416 762 L HA 0.103 4.445 4.340 0.003 0.000 0.243 762 L C 0.786 177.658 176.870 0.004 0.000 1.373 762 L CA 0.107 54.946 54.840 -0.002 0.000 1.227 762 L CB -0.822 41.233 42.059 -0.007 0.000 1.428 762 L HN 0.228 nan 8.230 nan 0.000 0.425 763 T N -0.518 114.039 114.554 0.006 0.000 2.727 763 T HA 0.648 5.000 4.350 0.003 0.000 0.298 763 T C -0.245 174.457 174.700 0.004 0.000 0.942 763 T CA -0.692 61.413 62.100 0.007 0.000 0.997 763 T CB 0.355 69.229 68.868 0.010 0.000 0.917 763 T HN 0.570 nan 8.240 nan 0.000 0.487 764 E N 1.069 121.271 120.200 0.003 0.000 3.337 764 E HA 0.144 4.496 4.350 0.003 0.000 0.344 764 E C -1.531 175.070 176.600 0.001 0.000 1.073 764 E CA -1.043 55.358 56.400 0.001 0.000 0.873 764 E CB 0.143 29.842 29.700 -0.001 0.000 1.231 764 E HN 0.471 nan 8.360 nan 0.000 0.474 765 E N 3.322 123.523 120.200 0.002 0.000 2.608 765 E HA 0.042 4.394 4.350 0.003 0.000 0.259 765 E C -2.099 174.501 176.600 -0.001 0.000 0.951 765 E CA -0.245 56.156 56.400 0.001 0.000 0.945 765 E CB -0.108 29.593 29.700 0.002 0.000 0.916 765 E HN 0.287 nan 8.360 nan 0.000 0.477 766 P HA 0.024 nan 4.420 nan 0.000 0.275 766 P C -0.612 176.686 177.300 -0.003 0.000 1.266 766 P CA -0.532 62.566 63.100 -0.003 0.000 0.793 766 P CB 0.578 32.276 31.700 -0.003 0.000 1.074 767 N N -1.621 117.076 118.700 -0.005 0.000 2.566 767 N HA 0.118 4.860 4.740 0.003 0.000 0.299 767 N C 0.784 176.291 175.510 -0.004 0.000 1.277 767 N CA -0.493 52.554 53.050 -0.004 0.000 0.965 767 N CB -0.689 37.794 38.487 -0.006 0.000 1.142 767 N HN 0.110 nan 8.380 nan 0.000 0.596 768 S N -0.877 114.821 115.700 -0.003 0.000 2.402 768 S HA -0.181 4.290 4.470 0.003 0.000 0.233 768 S C 1.391 175.989 174.600 -0.003 0.000 1.030 768 S CA 1.265 59.464 58.200 -0.003 0.000 1.003 768 S CB -0.308 62.890 63.200 -0.003 0.000 0.813 768 S HN 0.612 nan 8.310 nan 0.000 0.477 769 Q N 0.422 120.219 119.800 -0.005 0.000 2.432 769 Q HA 0.173 4.515 4.340 0.003 0.000 0.205 769 Q C 1.386 177.382 176.000 -0.006 0.000 0.945 769 Q CA 0.755 56.555 55.803 -0.006 0.000 0.924 769 Q CB -0.393 28.339 28.738 -0.009 0.000 1.016 769 Q HN 0.600 nan 8.270 nan 0.000 0.503 770 G N -0.350 108.447 108.800 -0.006 0.000 2.157 770 G HA2 -0.198 3.764 3.960 0.003 0.000 0.248 770 G HA3 -0.198 3.764 3.960 0.003 0.000 0.248 770 G C 0.008 174.902 174.900 -0.009 0.000 0.979 770 G CA 0.209 45.305 45.100 -0.006 0.000 0.650 770 G HN 0.245 nan 8.290 nan 0.000 0.529 771 I N 1.235 121.798 120.570 -0.012 0.000 2.440 771 I HA 0.539 4.710 4.170 0.003 0.000 0.294 771 I C 0.613 176.721 176.117 -0.014 0.000 0.995 771 I CA -0.384 60.906 61.300 -0.016 0.000 1.306 771 I CB 1.403 39.392 38.000 -0.019 0.000 1.407 771 I HN 0.034 nan 8.210 nan 0.000 0.501 772 S N 3.186 118.876 115.700 -0.016 0.000 2.475 772 S HA 0.381 4.853 4.470 0.003 0.000 0.298 772 S C -0.006 174.583 174.600 -0.019 0.000 1.119 772 S CA -0.417 57.775 58.200 -0.014 0.000 1.085 772 S CB 1.441 64.634 63.200 -0.011 0.000 1.028 772 S HN 0.617 nan 8.310 nan 0.000 0.489 773 S N 2.329 118.019 115.700 -0.016 0.000 2.667 773 S HA 0.370 4.842 4.470 0.003 0.000 0.304 773 S C -0.727 173.863 174.600 -0.017 0.000 1.135 773 S CA -0.751 57.437 58.200 -0.020 0.000 1.125 773 S CB 0.031 63.221 63.200 -0.018 0.000 0.996 773 S HN 0.606 nan 8.310 nan 0.000 0.474 774 K N 3.863 124.249 120.400 -0.023 0.000 2.292 774 K HA 0.420 4.742 4.320 0.003 0.000 0.270 774 K C -0.009 176.575 176.600 -0.027 0.000 1.062 774 K CA -0.308 55.966 56.287 -0.023 0.000 0.916 774 K CB 0.491 32.974 32.500 -0.028 0.000 1.166 774 K HN 0.465 nan 8.250 nan 0.000 0.458 775 T N 3.656 118.202 114.554 -0.014 0.000 2.813 775 T HA 0.285 4.637 4.350 0.003 0.000 0.297 775 T C -0.150 174.541 174.700 -0.015 0.000 1.036 775 T CA -0.406 61.690 62.100 -0.007 0.000 1.044 775 T CB 0.583 69.459 68.868 0.013 0.000 0.993 775 T HN 0.715 nan 8.240 nan 0.000 0.535 776 M N 1.817 121.412 119.600 -0.008 0.000 2.284 776 M HA 0.431 4.913 4.480 0.003 0.000 0.281 776 M C -1.039 175.292 176.300 0.052 0.000 1.083 776 M CA -0.331 54.946 55.300 -0.039 0.000 0.965 776 M CB 1.975 34.480 32.600 -0.158 0.000 1.717 776 M HN 0.589 nan 8.290 nan 0.000 0.479 777 S N 5.657 121.417 115.700 0.101 0.000 2.472 777 S HA 0.962 5.434 4.470 0.003 0.000 0.303 777 S C -1.179 173.635 174.600 0.357 0.000 1.099 777 S CA -0.436 57.910 58.200 0.243 0.000 1.077 777 S CB 0.648 63.933 63.200 0.142 0.000 1.031 777 S HN 0.724 nan 8.310 nan 0.000 0.487 778 F N 1.467 121.454 119.950 0.061 0.000 2.744 778 F HA 0.502 5.030 4.527 0.003 0.000 0.311 778 F C -2.041 173.924 175.800 0.275 0.000 1.144 778 F CA -1.509 56.523 58.000 0.053 0.000 0.938 778 F CB 0.885 39.938 39.000 0.088 0.000 1.292 778 F HN 0.471 nan 8.300 nan 0.000 0.444 779 Y N 3.167 123.410 120.300 -0.095 0.000 2.326 779 Y HA 0.341 4.892 4.550 0.003 0.000 0.337 779 Y C 0.472 176.130 175.900 -0.403 0.000 1.023 779 Y CA -1.389 56.557 58.100 -0.256 0.000 1.143 779 Y CB 1.411 39.782 38.460 -0.148 0.000 1.183 779 Y HN 0.360 nan 8.280 nan 0.000 0.485 780 L N 3.739 124.790 121.223 -0.286 0.000 2.444 780 L HA 0.134 4.476 4.340 0.003 0.000 0.251 780 L C 0.340 176.910 176.870 -0.501 0.000 1.247 780 L CA 0.435 55.076 54.840 -0.332 0.000 0.825 780 L CB 0.221 42.191 42.059 -0.148 0.000 1.129 780 L HN 0.701 nan 8.230 nan 0.000 0.527 781 R N 0.207 120.412 120.500 -0.491 0.000 2.856 781 R HA 0.215 4.556 4.340 0.003 0.000 0.258 781 R C 0.406 176.569 176.300 -0.229 0.000 1.066 781 R CA -0.753 55.047 56.100 -0.501 0.000 1.045 781 R CB 0.345 30.174 30.300 -0.784 0.000 1.178 781 R HN 0.414 nan 8.270 nan 0.000 0.499 782 D N 0.067 120.245 120.400 -0.371 0.000 2.378 782 D HA -0.023 4.618 4.640 0.003 0.000 0.222 782 D C -0.040 176.028 176.300 -0.386 0.000 0.980 782 D CA 0.819 54.562 54.000 -0.429 0.000 0.907 782 D CB 0.213 40.622 40.800 -0.652 0.000 0.899 782 D HN 0.186 nan 8.370 nan 0.000 0.527 783 S N -0.038 115.553 115.700 -0.181 0.000 2.549 783 S HA 0.062 4.533 4.470 0.003 0.000 0.286 783 S C 1.370 175.896 174.600 -0.123 0.000 1.314 783 S CA -0.377 57.810 58.200 -0.022 0.000 1.062 783 S CB 0.386 63.658 63.200 0.121 0.000 0.865 783 S HN 0.160 nan 8.310 nan 0.000 0.498 784 I N 1.913 122.381 120.570 -0.170 0.000 3.826 784 I HA 0.235 4.406 4.170 0.003 0.000 0.319 784 I C 0.917 176.849 176.117 -0.308 0.000 1.394 784 I CA -0.275 60.820 61.300 -0.342 0.000 1.197 784 I CB -0.492 37.139 38.000 -0.615 0.000 1.096 784 I HN 0.369 nan 8.210 nan 0.000 0.409 785 T N -0.232 114.123 114.554 -0.332 0.000 2.708 785 T HA 0.409 4.760 4.350 0.003 0.000 0.256 785 T C 0.077 174.563 174.700 -0.357 0.000 0.946 785 T CA -0.266 61.651 62.100 -0.305 0.000 1.039 785 T CB 1.623 70.244 68.868 -0.411 0.000 1.557 785 T HN 0.147 nan 8.240 nan 0.000 0.576 786 T N 1.990 116.348 114.554 -0.326 0.000 2.821 786 T HA 0.400 4.752 4.350 0.003 0.000 0.307 786 T C -0.818 173.749 174.700 -0.222 0.000 1.034 786 T CA -0.300 61.669 62.100 -0.218 0.000 0.953 786 T CB -0.171 68.663 68.868 -0.056 0.000 0.968 786 T HN 0.434 nan 8.240 nan 0.000 0.462 787 W N 2.157 123.508 121.300 0.085 0.000 2.137 787 W HA 0.464 5.125 4.660 0.003 0.000 0.344 787 W C -0.006 176.512 176.519 -0.001 0.000 1.286 787 W CA -0.753 56.642 57.345 0.083 0.000 1.240 787 W CB 0.564 30.111 29.460 0.146 0.000 1.141 787 W HN 0.218 nan 8.180 nan 0.000 0.579 788 V N 3.613 123.691 119.914 0.274 0.000 2.447 788 V HA 0.172 4.293 4.120 0.003 0.000 0.292 788 V C -0.437 175.627 176.094 -0.051 0.000 1.021 788 V CA -1.026 61.328 62.300 0.089 0.000 0.850 788 V CB 1.280 33.182 31.823 0.131 0.000 1.005 788 V HN 0.331 nan 8.190 nan 0.000 0.426 789 V N 5.629 125.480 119.914 -0.105 0.000 2.432 789 V HA 0.503 4.625 4.120 0.003 0.000 0.271 789 V C -0.308 175.707 176.094 -0.132 0.000 1.046 789 V CA -0.564 61.639 62.300 -0.163 0.000 0.945 789 V CB 1.024 32.755 31.823 -0.153 0.000 0.992 789 V HN 0.538 nan 8.190 nan 0.000 0.471 790 L N 4.884 125.992 121.223 -0.192 0.000 2.298 790 L HA 0.783 5.125 4.340 0.003 0.000 0.284 790 L C 0.392 177.158 176.870 -0.174 0.000 1.013 790 L CA -0.081 54.653 54.840 -0.177 0.000 0.824 790 L CB 1.459 43.386 42.059 -0.220 0.000 1.221 790 L HN 0.866 nan 8.230 nan 0.000 0.418 791 A N 3.933 126.671 122.820 -0.137 0.000 2.317 791 A HA 0.858 5.180 4.320 0.003 0.000 0.327 791 A C -0.805 176.699 177.584 -0.133 0.000 1.178 791 A CA -0.526 51.426 52.037 -0.142 0.000 0.817 791 A CB 1.228 20.156 19.000 -0.120 0.000 1.189 791 A HN 0.397 nan 8.150 nan 0.000 0.489 792 V N 1.855 121.694 119.914 -0.125 0.000 2.628 792 V HA 0.712 4.834 4.120 0.003 0.000 0.306 792 V C 0.236 176.209 176.094 -0.201 0.000 1.045 792 V CA -0.205 61.979 62.300 -0.194 0.000 0.905 792 V CB 2.036 33.720 31.823 -0.231 0.000 0.997 792 V HN 1.113 nan 8.190 nan 0.000 0.436 793 S N 4.671 120.213 115.700 -0.264 0.000 2.532 793 S HA 0.740 5.212 4.470 0.003 0.000 0.299 793 S C -1.193 173.308 174.600 -0.165 0.000 1.105 793 S CA -0.497 57.613 58.200 -0.150 0.000 1.018 793 S CB 1.371 64.507 63.200 -0.106 0.000 1.021 793 S HN 0.601 nan 8.310 nan 0.000 0.483 794 F N 2.838 122.689 119.950 -0.164 0.000 2.469 794 F HA 0.723 5.252 4.527 0.003 0.000 0.332 794 F C -0.296 175.479 175.800 -0.042 0.000 1.103 794 F CA -0.081 57.856 58.000 -0.104 0.000 0.979 794 F CB 2.010 41.026 39.000 0.027 0.000 1.137 794 F HN 0.719 nan 8.300 nan 0.000 0.463 795 T N 5.939 120.357 114.554 -0.226 0.000 2.896 795 T HA 0.315 4.666 4.350 0.003 0.000 0.297 795 T C -2.237 172.394 174.700 -0.115 0.000 1.108 795 T CA -1.284 60.797 62.100 -0.032 0.000 1.004 795 T CB 2.059 70.863 68.868 -0.106 0.000 1.159 795 T HN 0.277 nan 8.240 nan 0.000 0.499 796 P HA -0.096 nan 4.420 nan 0.000 0.213 796 P C 1.751 179.019 177.300 -0.054 0.000 1.170 796 P CA 1.469 64.624 63.100 0.091 0.000 0.893 796 P CB -0.201 31.553 31.700 0.091 0.000 0.784 797 T N -1.946 112.575 114.554 -0.054 0.000 2.706 797 T HA -0.011 4.341 4.350 0.003 0.000 0.255 797 T C 1.711 176.347 174.700 -0.108 0.000 1.048 797 T CA 0.777 62.840 62.100 -0.060 0.000 1.153 797 T CB -0.960 67.891 68.868 -0.027 0.000 0.865 797 T HN -0.087 nan 8.240 nan 0.000 0.414 798 K N 1.911 122.242 120.400 -0.116 0.000 2.360 798 K HA 0.132 4.453 4.320 0.003 0.000 0.201 798 K C 1.878 178.354 176.600 -0.207 0.000 1.046 798 K CA 0.838 57.054 56.287 -0.119 0.000 0.945 798 K CB -1.152 31.288 32.500 -0.100 0.000 0.750 798 K HN 0.688 nan 8.250 nan 0.000 0.464 799 G N 1.765 110.336 108.800 -0.382 0.000 2.591 799 G HA2 -0.342 3.619 3.960 0.003 0.000 0.298 799 G HA3 -0.342 3.619 3.960 0.003 0.000 0.298 799 G C 0.223 174.735 174.900 -0.647 0.000 1.195 799 G CA 0.151 44.854 45.100 -0.663 0.000 0.989 799 G HN 0.272 nan 8.290 nan 0.000 0.551 800 I N 0.307 120.591 120.570 -0.477 0.000 2.713 800 I HA 0.542 4.714 4.170 0.003 0.000 0.300 800 I C 0.249 176.144 176.117 -0.370 0.000 1.009 800 I CA 0.021 61.068 61.300 -0.422 0.000 1.305 800 I CB 1.539 39.345 38.000 -0.324 0.000 1.430 800 I HN 0.879 nan 8.210 nan 0.000 0.546 801 c N 5.855 124.231 118.600 -0.373 0.000 2.928 801 c HA 0.357 4.929 4.570 0.003 0.000 0.396 801 c C -0.830 173.090 174.090 -0.283 0.000 1.052 801 c CA -0.545 55.609 56.329 -0.292 0.000 1.251 801 c CB 0.098 42.486 42.510 -0.203 0.000 1.684 801 c HN 0.492 nan 8.230 nan 0.000 0.501 802 V N 6.513 126.266 119.914 -0.268 0.000 2.530 802 V HA 0.599 4.721 4.120 0.003 0.000 0.282 802 V C 1.184 177.192 176.094 -0.143 0.000 1.048 802 V CA 0.925 63.099 62.300 -0.210 0.000 0.997 802 V CB 1.351 33.055 31.823 -0.199 0.000 0.987 802 V HN 1.142 nan 8.190 nan 0.000 0.477 803 A N 4.974 127.722 122.820 -0.119 0.000 2.251 803 A HA 0.508 4.830 4.320 0.003 0.000 0.278 803 A C 0.209 177.764 177.584 -0.049 0.000 1.206 803 A CA -0.262 51.724 52.037 -0.084 0.000 0.822 803 A CB 0.236 19.187 19.000 -0.082 0.000 1.187 803 A HN 0.707 nan 8.150 nan 0.000 0.504 804 E N 0.730 120.912 120.200 -0.029 0.000 2.044 804 E HA 0.399 4.751 4.350 0.003 0.000 0.282 804 E C -2.455 174.166 176.600 0.036 0.000 1.031 804 E CA -2.512 53.890 56.400 0.002 0.000 0.824 804 E CB 0.161 29.859 29.700 -0.004 0.000 1.076 804 E HN 0.207 nan 8.360 nan 0.000 0.395 805 P HA -0.147 nan 4.420 nan 0.000 0.255 805 P C -1.074 176.329 177.300 0.171 0.000 1.161 805 P CA 0.478 63.629 63.100 0.084 0.000 0.768 805 P CB -0.176 31.612 31.700 0.147 0.000 0.746 806 Y N 3.527 123.831 120.300 0.006 0.000 2.335 806 Y HA 0.296 4.847 4.550 0.003 0.000 0.339 806 Y C 0.180 176.123 175.900 0.071 0.000 0.987 806 Y CA -1.712 56.407 58.100 0.031 0.000 1.140 806 Y CB 0.750 39.215 38.460 0.009 0.000 1.173 806 Y HN 0.337 nan 8.280 nan 0.000 0.486 807 E N 6.766 127.138 120.200 0.287 0.000 2.194 807 E HA 0.312 4.664 4.350 0.003 0.000 0.284 807 E C -0.806 175.687 176.600 -0.178 0.000 1.035 807 E CA -0.262 56.168 56.400 0.050 0.000 0.836 807 E CB 1.040 30.828 29.700 0.146 0.000 1.070 807 E HN 0.623 nan 8.360 nan 0.000 0.401 808 I N 3.827 124.259 120.570 -0.230 0.000 2.354 808 I HA 0.255 4.427 4.170 0.003 0.000 0.292 808 I C -0.243 175.921 176.117 0.077 0.000 0.989 808 I CA -0.554 60.673 61.300 -0.122 0.000 1.188 808 I CB 1.091 39.042 38.000 -0.082 0.000 1.342 808 I HN 0.328 nan 8.210 nan 0.000 0.457 809 R N 6.751 127.303 120.500 0.085 0.000 2.371 809 R HA 0.549 4.891 4.340 0.003 0.000 0.312 809 R C -1.606 174.730 176.300 0.060 0.000 0.980 809 R CA -0.462 55.676 56.100 0.064 0.000 0.867 809 R CB 1.416 31.759 30.300 0.071 0.000 1.163 809 R HN 0.406 nan 8.270 nan 0.000 0.492 810 V N 5.633 125.557 119.914 0.017 0.000 2.863 810 V HA 0.597 4.718 4.120 0.003 0.000 0.307 810 V C 0.117 176.181 176.094 -0.050 0.000 1.061 810 V CA -0.468 61.833 62.300 0.002 0.000 1.024 810 V CB 1.605 33.431 31.823 0.005 0.000 1.049 810 V HN 0.957 nan 8.190 nan 0.000 0.471 811 M N 3.999 123.563 119.600 -0.060 0.000 2.751 811 M HA 0.390 4.871 4.480 0.003 0.000 0.276 811 M C -1.913 174.358 176.300 -0.048 0.000 1.002 811 M CA -0.513 54.721 55.300 -0.110 0.000 0.828 811 M CB 1.483 34.068 32.600 -0.024 0.000 1.752 811 M HN 0.738 nan 8.290 nan 0.000 0.556 812 K N 2.126 122.500 120.400 -0.043 0.000 2.378 812 K HA 0.720 5.042 4.320 0.003 0.000 0.244 812 K C -0.228 176.466 176.600 0.158 0.000 1.039 812 K CA -0.726 55.608 56.287 0.078 0.000 0.863 812 K CB 1.799 34.354 32.500 0.092 0.000 1.326 812 K HN 0.493 nan 8.250 nan 0.000 0.460 813 V N -1.043 118.926 119.914 0.092 0.000 2.951 813 V HA 0.117 4.239 4.120 0.003 0.000 0.255 813 V C 0.173 176.202 176.094 -0.108 0.000 1.088 813 V CA 0.615 62.886 62.300 -0.048 0.000 1.109 813 V CB -0.944 30.734 31.823 -0.242 0.000 0.724 813 V HN 0.631 nan 8.190 nan 0.000 0.471 814 F N 2.233 122.063 119.950 -0.200 0.000 2.573 814 F HA 0.702 5.231 4.527 0.003 0.000 0.316 814 F C -0.940 174.815 175.800 -0.074 0.000 1.148 814 F CA -2.441 55.398 58.000 -0.268 0.000 0.940 814 F CB 1.884 40.801 39.000 -0.139 0.000 1.214 814 F HN 0.080 nan 8.300 nan 0.000 0.448 815 F N 4.509 124.058 119.950 -0.668 0.000 3.122 815 F HA 0.737 5.266 4.527 0.003 0.000 0.325 815 F C -2.074 173.457 175.800 -0.448 0.000 1.162 815 F CA -1.992 55.687 58.000 -0.535 0.000 0.876 815 F CB 0.795 39.594 39.000 -0.336 0.000 1.429 815 F HN 0.295 nan 8.300 nan 0.000 0.484 816 I N 0.702 121.386 120.570 0.189 0.000 2.474 816 I HA 0.595 4.767 4.170 0.003 0.000 0.294 816 I C -1.495 174.771 176.117 0.248 0.000 1.005 816 I CA -0.672 60.691 61.300 0.105 0.000 1.113 816 I CB 1.695 39.680 38.000 -0.025 0.000 1.289 816 I HN 0.393 nan 8.210 nan 0.000 0.436 817 D N 4.679 125.224 120.400 0.241 0.000 2.308 817 D HA 0.425 5.067 4.640 0.003 0.000 0.242 817 D C -0.785 175.560 176.300 0.075 0.000 1.059 817 D CA -0.202 53.922 54.000 0.206 0.000 0.830 817 D CB 2.370 43.399 40.800 0.382 0.000 1.161 817 D HN 0.367 nan 8.370 nan 0.000 0.494 818 L N 4.033 125.252 121.223 -0.007 0.000 2.935 818 L HA 0.203 4.545 4.340 0.003 0.000 0.243 818 L C -0.423 176.415 176.870 -0.055 0.000 1.313 818 L CA -0.510 54.288 54.840 -0.069 0.000 0.969 818 L CB -0.089 41.883 42.059 -0.144 0.000 1.320 818 L HN 0.276 nan 8.230 nan 0.000 0.511 819 Q N 2.211 122.015 119.800 0.006 0.000 2.388 819 Q HA -0.021 4.321 4.340 0.003 0.000 0.302 819 Q C -0.290 175.710 176.000 0.000 0.000 1.149 819 Q CA 0.924 56.738 55.803 0.019 0.000 1.014 819 Q CB 0.013 28.788 28.738 0.063 0.000 1.072 819 Q HN 0.630 nan 8.270 nan 0.000 0.395 820 M N 3.965 123.556 119.600 -0.016 0.000 2.213 820 M HA 0.378 4.859 4.480 0.003 0.000 0.286 820 M C -2.514 173.799 176.300 0.022 0.000 1.008 820 M CA -1.868 53.424 55.300 -0.014 0.000 0.937 820 M CB 1.898 34.466 32.600 -0.053 0.000 1.600 820 M HN 0.205 nan 8.290 nan 0.000 0.450 821 P HA -0.114 nan 4.420 nan 0.000 0.273 821 P C -0.424 176.976 177.300 0.166 0.000 1.237 821 P CA 0.031 63.189 63.100 0.097 0.000 0.813 821 P CB 0.245 31.988 31.700 0.073 0.000 0.930 822 Y N 0.318 120.639 120.300 0.035 0.000 2.269 822 Y HA 0.044 4.596 4.550 0.003 0.000 0.294 822 Y C 0.790 176.703 175.900 0.023 0.000 1.120 822 Y CA 1.260 59.380 58.100 0.033 0.000 1.159 822 Y CB -0.302 38.189 38.460 0.051 0.000 1.024 822 Y HN 0.392 nan 8.280 nan 0.000 0.532 823 S N -0.518 115.170 115.700 -0.020 0.000 2.541 823 S HA 0.655 5.127 4.470 0.003 0.000 0.271 823 S C -1.292 173.280 174.600 -0.046 0.000 1.133 823 S CA -0.514 57.593 58.200 -0.155 0.000 0.876 823 S CB 1.886 64.882 63.200 -0.340 0.000 1.105 823 S HN 0.131 nan 8.310 nan 0.000 0.470 824 V N 1.139 121.033 119.914 -0.034 0.000 3.156 824 V HA 0.889 5.011 4.120 0.003 0.000 0.311 824 V C -1.391 174.701 176.094 -0.003 0.000 1.208 824 V CA -0.662 61.634 62.300 -0.007 0.000 1.063 824 V CB 2.125 33.950 31.823 0.003 0.000 1.098 824 V HN 1.012 nan 8.190 nan 0.000 0.452 825 V N 2.003 121.925 119.914 0.013 0.000 2.914 825 V HA 0.462 4.584 4.120 0.003 0.000 0.314 825 V C -0.109 176.008 176.094 0.037 0.000 1.084 825 V CA -1.079 61.232 62.300 0.018 0.000 0.963 825 V CB 1.906 33.734 31.823 0.010 0.000 1.025 825 V HN 0.901 nan 8.190 nan 0.000 0.432 826 K N 3.620 124.046 120.400 0.042 0.000 2.473 826 K HA -0.070 4.251 4.320 0.003 0.000 0.277 826 K C 0.457 177.082 176.600 0.043 0.000 1.052 826 K CA 0.830 57.147 56.287 0.050 0.000 1.114 826 K CB -0.159 32.366 32.500 0.042 0.000 0.869 826 K HN 0.792 nan 8.250 nan 0.000 0.481 827 N N 1.710 120.438 118.700 0.048 0.000 2.850 827 N HA -0.161 4.581 4.740 0.003 0.000 0.249 827 N C -1.169 174.367 175.510 0.043 0.000 1.060 827 N CA 1.158 54.233 53.050 0.042 0.000 0.825 827 N CB -1.173 37.336 38.487 0.035 0.000 1.132 827 N HN 0.706 nan 8.380 nan 0.000 0.564 828 E N 0.475 120.701 120.200 0.044 0.000 2.349 828 E HA 0.218 4.570 4.350 0.003 0.000 0.265 828 E C 0.236 176.873 176.600 0.062 0.000 1.064 828 E CA -0.366 56.066 56.400 0.052 0.000 0.886 828 E CB 1.010 30.738 29.700 0.046 0.000 1.036 828 E HN 0.022 nan 8.360 nan 0.000 0.413 829 Q N 2.218 122.082 119.800 0.107 0.000 2.322 829 Q HA 0.296 4.638 4.340 0.003 0.000 0.256 829 Q C -1.129 175.025 176.000 0.257 0.000 0.960 829 Q CA -0.292 55.602 55.803 0.150 0.000 0.934 829 Q CB 1.590 30.465 28.738 0.228 0.000 1.200 829 Q HN 0.407 nan 8.270 nan 0.000 0.435 830 V N 2.775 122.786 119.914 0.162 0.000 2.876 830 V HA 0.504 4.625 4.120 0.003 0.000 0.312 830 V C -1.106 175.101 176.094 0.188 0.000 1.085 830 V CA -0.786 61.632 62.300 0.196 0.000 0.945 830 V CB 2.211 34.075 31.823 0.069 0.000 1.017 830 V HN 0.826 nan 8.190 nan 0.000 0.428 831 E N 4.870 125.230 120.200 0.267 0.000 2.197 831 E HA 0.508 4.859 4.350 0.003 0.000 0.281 831 E C -1.116 175.534 176.600 0.084 0.000 0.995 831 E CA -0.642 55.863 56.400 0.176 0.000 0.808 831 E CB 1.381 31.234 29.700 0.255 0.000 1.093 831 E HN 0.749 nan 8.360 nan 0.000 0.394 832 I N 3.944 124.541 120.570 0.046 0.000 2.460 832 I HA 0.376 4.548 4.170 0.003 0.000 0.298 832 I C 0.249 176.406 176.117 0.067 0.000 0.989 832 I CA -0.807 60.507 61.300 0.023 0.000 1.173 832 I CB 1.657 39.627 38.000 -0.050 0.000 1.338 832 I HN 0.394 nan 8.210 nan 0.000 0.456 833 R N 4.618 125.151 120.500 0.055 0.000 2.337 833 R HA 0.674 5.016 4.340 0.003 0.000 0.319 833 R C -0.799 175.533 176.300 0.054 0.000 0.954 833 R CA -0.379 55.772 56.100 0.085 0.000 0.840 833 R CB 1.302 31.649 30.300 0.079 0.000 1.164 833 R HN 0.809 nan 8.270 nan 0.000 0.472 834 A N 5.028 127.888 122.820 0.067 0.000 2.302 834 A HA 0.523 4.845 4.320 0.003 0.000 0.285 834 A C -0.521 177.093 177.584 0.051 0.000 1.105 834 A CA -0.574 51.470 52.037 0.012 0.000 0.816 834 A CB 0.626 19.581 19.000 -0.075 0.000 1.067 834 A HN 0.569 nan 8.150 nan 0.000 0.489 835 I N 1.070 121.655 120.570 0.025 0.000 2.530 835 I HA 0.433 4.605 4.170 0.003 0.000 0.297 835 I C -0.495 175.545 176.117 -0.127 0.000 1.011 835 I CA -0.885 60.381 61.300 -0.057 0.000 1.107 835 I CB 1.370 39.342 38.000 -0.047 0.000 1.285 835 I HN 0.537 nan 8.210 nan 0.000 0.436 836 L N 5.919 126.996 121.223 -0.243 0.000 2.313 836 L HA 0.415 4.757 4.340 0.003 0.000 0.283 836 L C -0.406 176.108 176.870 -0.593 0.000 1.013 836 L CA -0.217 54.430 54.840 -0.321 0.000 0.816 836 L CB 0.709 42.682 42.059 -0.143 0.000 1.236 836 L HN 0.454 nan 8.230 nan 0.000 0.419 837 H N 2.874 121.513 119.070 -0.718 0.000 2.466 837 H HA 0.300 4.858 4.556 0.003 0.000 0.338 837 H C -0.864 173.977 175.328 -0.812 0.000 1.091 837 H CA -0.713 54.775 56.048 -0.934 0.000 1.207 837 H CB 1.908 30.697 29.762 -1.622 0.000 1.466 837 H HN 0.407 nan 8.280 nan 0.000 0.493 838 N N 3.162 121.660 118.700 -0.336 0.000 2.706 838 N HA 0.019 4.760 4.740 0.003 0.000 0.240 838 N C -1.416 174.064 175.510 -0.052 0.000 1.039 838 N CA -0.432 52.552 53.050 -0.111 0.000 0.888 838 N CB 0.067 38.551 38.487 -0.006 0.000 1.128 838 N HN 0.357 nan 8.380 nan 0.000 0.512 839 Y N 2.999 123.174 120.300 -0.208 0.000 2.735 839 Y HA 0.303 4.855 4.550 0.003 0.000 0.354 839 Y C 0.312 176.096 175.900 -0.194 0.000 1.288 839 Y CA -0.648 57.354 58.100 -0.163 0.000 1.836 839 Y CB -0.523 37.861 38.460 -0.128 0.000 1.920 839 Y HN 0.216 nan 8.280 nan 0.000 0.438 840 V N -0.411 119.473 119.914 -0.049 0.000 3.149 840 V HA 0.456 4.578 4.120 0.003 0.000 0.310 840 V C 0.254 176.303 176.094 -0.075 0.000 1.353 840 V CA -0.900 61.312 62.300 -0.147 0.000 1.040 840 V CB 1.800 33.391 31.823 -0.388 0.000 1.136 840 V HN 0.179 nan 8.190 nan 0.000 0.477 841 N N -0.076 118.582 118.700 -0.070 0.000 2.205 841 N HA 0.133 4.875 4.740 0.003 0.000 0.214 841 N C 0.333 175.835 175.510 -0.015 0.000 1.196 841 N CA 0.060 53.094 53.050 -0.026 0.000 1.092 841 N CB -0.313 38.173 38.487 -0.002 0.000 1.422 841 N HN 0.859 nan 8.380 nan 0.000 0.483 842 E N 2.511 122.723 120.200 0.020 0.000 3.127 842 E HA -0.185 4.166 4.350 0.003 0.000 0.299 842 E C -0.860 175.759 176.600 0.032 0.000 0.757 842 E CA 0.085 56.512 56.400 0.046 0.000 1.106 842 E CB -0.419 29.343 29.700 0.103 0.000 0.714 842 E HN 0.109 nan 8.360 nan 0.000 0.498 843 D N 2.904 123.316 120.400 0.021 0.000 2.563 843 D HA 0.029 4.671 4.640 0.003 0.000 0.229 843 D C 0.520 176.846 176.300 0.043 0.000 1.159 843 D CA 1.002 55.011 54.000 0.015 0.000 0.869 843 D CB 0.266 41.077 40.800 0.017 0.000 1.203 843 D HN 0.467 nan 8.370 nan 0.000 0.478 844 I N -1.480 119.110 120.570 0.034 0.000 2.689 844 I HA 0.442 4.614 4.170 0.003 0.000 0.299 844 I C -0.989 175.210 176.117 0.137 0.000 1.059 844 I CA -1.280 60.069 61.300 0.082 0.000 1.055 844 I CB 1.760 39.775 38.000 0.025 0.000 1.243 844 I HN 0.082 nan 8.210 nan 0.000 0.425 845 Y N 4.224 124.579 120.300 0.091 0.000 2.323 845 Y HA 0.749 5.301 4.550 0.003 0.000 0.331 845 Y C -0.524 175.529 175.900 0.255 0.000 1.092 845 Y CA -0.196 58.005 58.100 0.170 0.000 1.150 845 Y CB 1.599 40.157 38.460 0.163 0.000 1.200 845 Y HN 0.570 nan 8.280 nan 0.000 0.472 846 V N 6.625 126.600 119.914 0.101 0.000 3.120 846 V HA 0.588 4.710 4.120 0.003 0.000 0.303 846 V C -1.805 174.194 176.094 -0.159 0.000 1.238 846 V CA -0.857 61.508 62.300 0.107 0.000 1.008 846 V CB 2.263 34.223 31.823 0.228 0.000 1.064 846 V HN 0.829 nan 8.190 nan 0.000 0.434 847 R N 3.494 123.722 120.500 -0.453 0.000 2.480 847 R HA 0.773 5.115 4.340 0.003 0.000 0.306 847 R C -2.048 174.072 176.300 -0.300 0.000 0.958 847 R CA -0.438 55.288 56.100 -0.624 0.000 0.861 847 R CB 2.048 31.527 30.300 -1.368 0.000 1.171 847 R HN 0.594 nan 8.270 nan 0.000 0.445 848 V N 4.742 124.509 119.914 -0.245 0.000 2.326 848 V HA 0.270 4.392 4.120 0.003 0.000 0.281 848 V C -0.488 175.604 176.094 -0.004 0.000 1.015 848 V CA -0.651 61.603 62.300 -0.078 0.000 0.823 848 V CB 1.508 33.302 31.823 -0.048 0.000 1.009 848 V HN 0.769 nan 8.190 nan 0.000 0.436 849 E N 3.536 123.771 120.200 0.058 0.000 2.216 849 E HA 0.487 4.838 4.350 0.003 0.000 0.279 849 E C -0.665 176.093 176.600 0.262 0.000 0.997 849 E CA -0.804 55.678 56.400 0.137 0.000 0.817 849 E CB 2.514 32.267 29.700 0.088 0.000 1.096 849 E HN 0.465 nan 8.360 nan 0.000 0.393 850 L N 3.085 124.561 121.223 0.421 0.000 2.439 850 L HA 0.415 4.757 4.340 0.003 0.000 0.259 850 L C -1.048 175.977 176.870 0.258 0.000 1.129 850 L CA -0.132 54.959 54.840 0.419 0.000 0.803 850 L CB 0.678 43.097 42.059 0.600 0.000 1.161 850 L HN 0.550 nan 8.230 nan 0.000 0.462 851 L N 1.646 122.985 121.223 0.193 0.000 2.365 851 L HA 0.388 4.729 4.340 0.003 0.000 0.267 851 L C -1.171 175.847 176.870 0.247 0.000 1.033 851 L CA -0.746 54.211 54.840 0.194 0.000 0.802 851 L CB 1.455 43.597 42.059 0.137 0.000 1.267 851 L HN 0.680 nan 8.230 nan 0.000 0.457 852 Y N 2.620 122.987 120.300 0.112 0.000 2.327 852 Y HA 0.351 4.903 4.550 0.003 0.000 0.336 852 Y C -0.466 175.478 175.900 0.073 0.000 1.035 852 Y CA -0.563 57.599 58.100 0.103 0.000 1.165 852 Y CB 0.644 39.153 38.460 0.081 0.000 1.181 852 Y HN 0.440 nan 8.280 nan 0.000 0.494 853 N N 7.646 126.061 118.700 -0.475 0.000 2.352 853 N HA 0.348 5.090 4.740 0.003 0.000 0.291 853 N C -2.623 172.347 175.510 -0.900 0.000 1.040 853 N CA -2.343 50.334 53.050 -0.621 0.000 0.864 853 N CB 2.651 40.911 38.487 -0.377 0.000 1.440 853 N HN 0.294 nan 8.380 nan 0.000 0.483 854 P HA -0.028 nan 4.420 nan 0.000 0.221 854 P C 0.592 177.617 177.300 -0.459 0.000 1.145 854 P CA 0.995 63.752 63.100 -0.571 0.000 0.795 854 P CB 0.215 31.733 31.700 -0.303 0.000 0.775 855 A N -2.128 120.273 122.820 -0.699 0.000 2.252 855 A HA 0.104 4.425 4.320 0.003 0.000 0.207 855 A C 0.021 177.282 177.584 -0.538 0.000 1.194 855 A CA 0.564 52.119 52.037 -0.803 0.000 0.809 855 A CB -0.871 17.280 19.000 -1.414 0.000 0.814 855 A HN 0.016 nan 8.150 nan 0.000 0.482 856 F N -2.231 117.572 119.950 -0.244 0.000 2.561 856 F HA 0.341 4.869 4.527 0.003 0.000 0.313 856 F C -0.147 175.601 175.800 -0.087 0.000 1.126 856 F CA -2.060 55.848 58.000 -0.153 0.000 0.918 856 F CB 0.749 39.663 39.000 -0.143 0.000 1.199 856 F HN -0.145 nan 8.300 nan 0.000 0.444 857 c N 3.790 122.492 118.600 0.170 0.000 2.322 857 c HA 0.661 5.233 4.570 0.003 0.000 0.343 857 c C 0.432 174.574 174.090 0.086 0.000 1.190 857 c CA -0.138 56.262 56.329 0.119 0.000 1.704 857 c CB -1.808 40.747 42.510 0.075 0.000 2.293 857 c HN 0.837 nan 8.230 nan 0.000 0.523 858 S N 3.385 119.160 115.700 0.125 0.000 2.745 858 S HA 0.720 5.191 4.470 0.003 0.000 0.306 858 S C 0.726 175.389 174.600 0.105 0.000 1.137 858 S CA 0.007 58.247 58.200 0.066 0.000 0.900 858 S CB 1.361 64.628 63.200 0.113 0.000 1.176 858 S HN 0.831 nan 8.310 nan 0.000 0.520 859 A N 0.558 123.378 122.820 -0.001 0.000 2.178 859 A HA 0.288 4.610 4.320 0.003 0.000 0.218 859 A C 0.999 178.757 177.584 0.290 0.000 1.157 859 A CA 0.752 52.837 52.037 0.080 0.000 0.689 859 A CB -0.853 17.833 19.000 -0.524 0.000 0.787 859 A HN 0.653 nan 8.150 nan 0.000 0.465 860 S N -1.046 114.811 115.700 0.263 0.000 2.621 860 S HA 0.614 5.086 4.470 0.003 0.000 0.302 860 S C 0.022 174.789 174.600 0.277 0.000 1.093 860 S CA -0.044 58.338 58.200 0.303 0.000 1.017 860 S CB 1.699 65.101 63.200 0.337 0.000 1.077 860 S HN 0.610 nan 8.310 nan 0.000 0.517 861 T N -1.505 113.081 114.554 0.054 0.000 2.906 861 T HA 0.462 4.814 4.350 0.003 0.000 0.295 861 T C 0.578 174.888 174.700 -0.650 0.000 1.061 861 T CA -0.929 60.993 62.100 -0.297 0.000 1.000 861 T CB 1.409 70.193 68.868 -0.140 0.000 1.103 861 T HN 0.483 nan 8.240 nan 0.000 0.486 862 K N 0.610 120.316 120.400 -1.156 0.000 2.366 862 K HA -0.119 4.203 4.320 0.003 0.000 0.202 862 K C 1.638 178.067 176.600 -0.285 0.000 1.045 862 K CA 1.886 57.656 56.287 -0.861 0.000 0.934 862 K CB -0.713 31.492 32.500 -0.491 0.000 0.746 862 K HN 0.800 nan 8.250 nan 0.000 0.470 863 G N -0.639 108.043 108.800 -0.197 0.000 2.789 863 G HA2 -0.071 3.890 3.960 0.003 0.000 0.207 863 G HA3 -0.071 3.890 3.960 0.003 0.000 0.207 863 G C -0.159 174.726 174.900 -0.024 0.000 1.153 863 G CA -0.217 44.845 45.100 -0.063 0.000 0.847 863 G HN 0.232 nan 8.290 nan 0.000 0.615 864 Q N 1.262 121.049 119.800 -0.023 0.000 2.340 864 Q HA 0.500 4.841 4.340 0.003 0.000 0.259 864 Q C -0.177 175.863 176.000 0.067 0.000 0.964 864 Q CA -0.385 55.434 55.803 0.027 0.000 0.900 864 Q CB 0.708 29.465 28.738 0.032 0.000 1.228 864 Q HN 0.213 nan 8.270 nan 0.000 0.449 865 R N 2.659 123.215 120.500 0.092 0.000 2.490 865 R HA 0.113 4.455 4.340 0.003 0.000 0.280 865 R C -0.678 175.724 176.300 0.169 0.000 1.077 865 R CA -0.487 55.704 56.100 0.152 0.000 1.065 865 R CB 0.607 30.990 30.300 0.139 0.000 1.003 865 R HN 0.662 nan 8.270 nan 0.000 0.470 866 Y N 4.192 124.544 120.300 0.086 0.000 2.531 866 Y HA 0.073 4.625 4.550 0.003 0.000 0.347 866 Y C -0.033 175.866 175.900 -0.002 0.000 1.024 866 Y CA -0.128 57.996 58.100 0.041 0.000 1.306 866 Y CB 0.223 38.699 38.460 0.026 0.000 1.149 866 Y HN 0.525 nan 8.280 nan 0.000 0.527 867 R N 4.791 125.108 120.500 -0.304 0.000 2.807 867 R HA 0.634 4.976 4.340 0.003 0.000 0.276 867 R C -1.785 174.247 176.300 -0.445 0.000 0.979 867 R CA -0.929 55.025 56.100 -0.244 0.000 0.928 867 R CB 1.819 32.046 30.300 -0.122 0.000 1.191 867 R HN 0.686 nan 8.270 nan 0.000 0.471 868 Q N 1.703 121.266 119.800 -0.396 0.000 2.347 868 Q HA 0.304 4.646 4.340 0.003 0.000 0.271 868 Q C -1.331 174.386 176.000 -0.471 0.000 1.064 868 Q CA -0.964 54.567 55.803 -0.453 0.000 0.800 868 Q CB 3.261 31.651 28.738 -0.580 0.000 1.304 868 Q HN 0.534 nan 8.270 nan 0.000 0.438 869 Q N 2.960 122.567 119.800 -0.321 0.000 2.312 869 Q HA 0.751 5.092 4.340 0.003 0.000 0.263 869 Q C -0.841 174.985 176.000 -0.290 0.000 0.995 869 Q CA -0.519 55.109 55.803 -0.291 0.000 0.853 869 Q CB 1.785 30.541 28.738 0.031 0.000 1.300 869 Q HN 0.696 nan 8.270 nan 0.000 0.448 870 F N -0.792 118.771 119.950 -0.646 0.000 3.122 870 F HA 0.776 5.305 4.527 0.003 0.000 0.325 870 F C -3.158 172.310 175.800 -0.554 0.000 1.162 870 F CA -2.421 55.228 58.000 -0.585 0.000 0.876 870 F CB 1.390 40.184 39.000 -0.343 0.000 1.429 870 F HN 0.302 nan 8.300 nan 0.000 0.484 871 P HA 0.610 nan 4.420 nan 0.000 0.298 871 P C -1.572 175.487 177.300 -0.401 0.000 1.341 871 P CA -0.598 62.362 63.100 -0.234 0.000 1.032 871 P CB 3.307 34.992 31.700 -0.025 0.000 1.386 872 I N -1.717 118.713 120.570 -0.233 0.000 2.722 872 I HA 0.489 4.661 4.170 0.003 0.000 0.295 872 I C 0.147 176.201 176.117 -0.105 0.000 1.161 872 I CA -1.173 59.995 61.300 -0.220 0.000 1.032 872 I CB 2.284 40.155 38.000 -0.215 0.000 1.244 872 I HN 0.070 nan 8.210 nan 0.000 0.421 873 K N 4.487 124.834 120.400 -0.088 0.000 2.088 873 K HA 0.554 4.876 4.320 0.003 0.000 0.201 873 K C 0.509 177.091 176.600 -0.031 0.000 1.054 873 K CA 0.536 56.795 56.287 -0.047 0.000 1.025 873 K CB -0.600 31.877 32.500 -0.039 0.000 1.258 873 K HN 0.869 nan 8.250 nan 0.000 0.456 874 A N -0.848 121.961 122.820 -0.018 0.000 2.594 874 A HA 0.530 4.852 4.320 0.003 0.000 0.295 874 A C -0.313 177.283 177.584 0.020 0.000 1.071 874 A CA -0.467 51.566 52.037 -0.007 0.000 0.685 874 A CB 0.952 19.944 19.000 -0.013 0.000 1.285 874 A HN 0.526 nan 8.150 nan 0.000 0.405 875 L N 0.356 121.609 121.223 0.050 0.000 3.970 875 L HA -0.235 4.107 4.340 0.003 0.000 0.425 875 L C 0.380 177.384 176.870 0.223 0.000 1.162 875 L CA 1.416 56.318 54.840 0.102 0.000 0.968 875 L CB -1.434 40.599 42.059 -0.044 0.000 1.896 875 L HN 1.452 nan 8.230 nan 0.000 1.006 876 S N -2.202 113.590 115.700 0.153 0.000 2.739 876 S HA 0.936 5.408 4.470 0.003 0.000 0.306 876 S C -0.091 174.492 174.600 -0.028 0.000 1.115 876 S CA -0.055 58.180 58.200 0.058 0.000 0.985 876 S CB 2.290 65.482 63.200 -0.014 0.000 1.133 876 S HN 0.335 nan 8.310 nan 0.000 0.541 877 S N 0.248 115.890 115.700 -0.096 0.000 2.543 877 S HA 0.650 5.122 4.470 0.003 0.000 0.271 877 S C -1.422 173.055 174.600 -0.206 0.000 1.148 877 S CA -0.896 57.165 58.200 -0.232 0.000 0.914 877 S CB 1.427 64.488 63.200 -0.232 0.000 1.096 877 S HN 0.607 nan 8.310 nan 0.000 0.471 878 R N 1.504 121.860 120.500 -0.240 0.000 2.538 878 R HA 0.644 4.986 4.340 0.003 0.000 0.292 878 R C -0.771 175.488 176.300 -0.068 0.000 1.008 878 R CA -0.616 55.387 56.100 -0.161 0.000 0.896 878 R CB 1.795 31.944 30.300 -0.253 0.000 1.187 878 R HN 0.784 nan 8.270 nan 0.000 0.440 879 A N 3.046 125.859 122.820 -0.012 0.000 2.362 879 A HA 0.481 4.802 4.320 0.003 0.000 0.276 879 A C 0.110 177.771 177.584 0.129 0.000 1.153 879 A CA -0.463 51.600 52.037 0.044 0.000 0.813 879 A CB 0.422 19.447 19.000 0.041 0.000 1.081 879 A HN 0.396 nan 8.150 nan 0.000 0.507 880 V N 1.998 122.016 119.914 0.174 0.000 2.409 880 V HA 0.586 4.708 4.120 0.003 0.000 0.291 880 V C -2.695 173.554 176.094 0.257 0.000 1.020 880 V CA -2.286 60.147 62.300 0.222 0.000 0.848 880 V CB 1.339 33.358 31.823 0.328 0.000 0.990 880 V HN 0.749 nan 8.190 nan 0.000 0.430 881 P HA 0.596 nan 4.420 nan 0.000 0.279 881 P C -1.218 176.111 177.300 0.047 0.000 1.252 881 P CA -0.436 62.734 63.100 0.117 0.000 0.811 881 P CB 0.668 32.373 31.700 0.008 0.000 1.035 882 F N -0.236 119.631 119.950 -0.138 0.000 2.579 882 F HA 0.281 4.810 4.527 0.003 0.000 0.325 882 F C -0.161 175.497 175.800 -0.237 0.000 1.162 882 F CA -1.072 56.781 58.000 -0.246 0.000 0.946 882 F CB 1.828 40.699 39.000 -0.215 0.000 1.211 882 F HN -0.074 nan 8.300 nan 0.000 0.447 883 V N 5.423 125.204 119.914 -0.222 0.000 2.567 883 V HA 0.539 4.660 4.120 0.003 0.000 0.289 883 V C -0.088 175.872 176.094 -0.223 0.000 1.049 883 V CA -0.576 61.570 62.300 -0.256 0.000 0.969 883 V CB 1.760 33.303 31.823 -0.466 0.000 0.995 883 V HN 0.663 nan 8.190 nan 0.000 0.471 884 I N 4.796 125.247 120.570 -0.198 0.000 2.785 884 I HA 0.647 4.818 4.170 0.003 0.000 0.293 884 I C -1.376 174.645 176.117 -0.160 0.000 1.446 884 I CA -0.829 60.347 61.300 -0.205 0.000 1.028 884 I CB 2.403 40.192 38.000 -0.352 0.000 1.349 884 I HN 0.451 nan 8.210 nan 0.000 0.438 885 V N 4.278 124.132 119.914 -0.101 0.000 2.409 885 V HA 0.738 4.860 4.120 0.003 0.000 0.291 885 V C -2.618 173.495 176.094 0.031 0.000 1.020 885 V CA -1.731 60.551 62.300 -0.031 0.000 0.848 885 V CB 0.877 32.705 31.823 0.008 0.000 0.990 885 V HN 0.642 nan 8.190 nan 0.000 0.430 886 P HA 0.436 nan 4.420 nan 0.000 0.274 886 P C -0.211 177.180 177.300 0.152 0.000 1.237 886 P CA -0.267 62.982 63.100 0.249 0.000 0.793 886 P CB 2.352 34.183 31.700 0.218 0.000 0.977 887 L N -0.482 120.805 121.223 0.108 0.000 2.769 887 L HA 0.282 4.623 4.340 0.003 0.000 0.175 887 L C 1.076 177.937 176.870 -0.015 0.000 1.099 887 L CA 0.203 55.057 54.840 0.024 0.000 0.876 887 L CB -0.554 41.500 42.059 -0.008 0.000 1.498 887 L HN 0.258 nan 8.230 nan 0.000 0.499 888 E N 1.303 121.431 120.200 -0.120 0.000 2.373 888 E HA 0.234 4.585 4.350 0.003 0.000 0.263 888 E C -0.823 175.844 176.600 0.111 0.000 1.073 888 E CA -0.233 56.123 56.400 -0.072 0.000 0.894 888 E CB 0.870 30.458 29.700 -0.187 0.000 1.008 888 E HN 0.181 nan 8.360 nan 0.000 0.420 889 Q N 0.538 120.472 119.800 0.223 0.000 2.385 889 Q HA 0.750 5.092 4.340 0.003 0.000 0.262 889 Q C 0.288 176.383 176.000 0.158 0.000 1.050 889 Q CA -0.473 55.463 55.803 0.222 0.000 0.903 889 Q CB 1.577 30.371 28.738 0.093 0.000 1.325 889 Q HN 0.645 nan 8.270 nan 0.000 0.485 890 G N -0.550 108.247 108.800 -0.004 0.000 2.512 890 G HA2 -0.113 3.848 3.960 0.003 0.000 0.210 890 G HA3 -0.113 3.848 3.960 0.003 0.000 0.210 890 G C -1.123 173.596 174.900 -0.301 0.000 1.295 890 G CA -0.509 44.496 45.100 -0.159 0.000 0.934 890 G HN 0.777 nan 8.290 nan 0.000 0.554 891 L N 0.951 121.932 121.223 -0.404 0.000 2.326 891 L HA 0.767 5.109 4.340 0.003 0.000 0.278 891 L C 0.311 176.793 176.870 -0.646 0.000 1.092 891 L CA -0.736 53.907 54.840 -0.329 0.000 0.810 891 L CB 1.252 43.204 42.059 -0.177 0.000 1.153 891 L HN 0.634 nan 8.230 nan 0.000 0.439 892 H N 0.215 119.300 119.070 0.025 0.000 2.996 892 H HA 0.297 4.855 4.556 0.003 0.000 0.368 892 H C -1.402 173.958 175.328 0.052 0.000 1.185 892 H CA -0.969 55.055 56.048 -0.040 0.000 1.160 892 H CB 2.001 31.630 29.762 -0.222 0.000 1.820 892 H HN 0.613 nan 8.280 nan 0.000 0.547 893 D N 1.263 121.733 120.400 0.118 0.000 2.308 893 D HA 0.320 4.962 4.640 0.003 0.000 0.251 893 D C -0.154 176.271 176.300 0.208 0.000 1.127 893 D CA -0.231 53.839 54.000 0.117 0.000 0.876 893 D CB 1.628 42.461 40.800 0.054 0.000 1.176 893 D HN 0.014 nan 8.370 nan 0.000 0.446 894 V N 2.060 122.076 119.914 0.169 0.000 2.448 894 V HA 0.339 4.461 4.120 0.003 0.000 0.295 894 V C -0.325 175.786 176.094 0.029 0.000 1.025 894 V CA -0.611 61.768 62.300 0.132 0.000 0.859 894 V CB 1.643 33.490 31.823 0.040 0.000 0.988 894 V HN 0.532 nan 8.190 nan 0.000 0.431 895 E N 4.739 124.954 120.200 0.025 0.000 2.218 895 E HA 0.596 4.948 4.350 0.003 0.000 0.263 895 E C -1.454 175.130 176.600 -0.026 0.000 0.879 895 E CA -0.448 55.957 56.400 0.009 0.000 0.762 895 E CB 1.591 31.319 29.700 0.046 0.000 1.166 895 E HN 0.609 nan 8.360 nan 0.000 0.415 896 I N 3.859 124.388 120.570 -0.069 0.000 2.530 896 I HA 0.432 4.604 4.170 0.003 0.000 0.297 896 I C -0.367 175.745 176.117 -0.007 0.000 1.011 896 I CA -0.821 60.429 61.300 -0.083 0.000 1.107 896 I CB 1.823 39.679 38.000 -0.239 0.000 1.285 896 I HN 0.415 nan 8.210 nan 0.000 0.436 897 K N 4.065 124.485 120.400 0.033 0.000 2.435 897 K HA 0.890 5.211 4.320 0.003 0.000 0.251 897 K C -1.431 175.198 176.600 0.048 0.000 0.954 897 K CA -0.730 55.583 56.287 0.044 0.000 0.820 897 K CB 2.824 35.358 32.500 0.057 0.000 1.292 897 K HN 0.668 nan 8.250 nan 0.000 0.436 898 A N 0.825 123.687 122.820 0.071 0.000 2.532 898 A HA 0.580 4.901 4.320 0.003 0.000 0.296 898 A C -1.531 176.212 177.584 0.265 0.000 1.058 898 A CA -0.598 51.504 52.037 0.108 0.000 0.729 898 A CB 1.844 20.896 19.000 0.086 0.000 1.285 898 A HN 0.440 nan 8.150 nan 0.000 0.396 899 S N 1.147 116.956 115.700 0.183 0.000 2.536 899 S HA 0.684 5.155 4.470 0.003 0.000 0.287 899 S C -0.934 173.763 174.600 0.162 0.000 1.101 899 S CA -0.409 57.916 58.200 0.209 0.000 0.950 899 S CB 1.445 64.732 63.200 0.145 0.000 1.056 899 S HN 1.225 nan 8.310 nan 0.000 0.481 900 V N 5.051 125.032 119.914 0.112 0.000 2.465 900 V HA 0.378 4.500 4.120 0.003 0.000 0.279 900 V C 0.625 176.886 176.094 0.279 0.000 1.045 900 V CA -0.612 61.740 62.300 0.087 0.000 0.938 900 V CB 1.245 32.990 31.823 -0.129 0.000 0.986 900 V HN 0.979 nan 8.190 nan 0.000 0.467 901 Q N 3.655 123.717 119.800 0.437 0.000 2.320 901 Q HA -0.036 4.306 4.340 0.003 0.000 0.311 901 Q C 0.361 176.394 176.000 0.056 0.000 1.083 901 Q CA 0.462 56.415 55.803 0.249 0.000 1.001 901 Q CB 0.006 28.881 28.738 0.229 0.000 1.074 901 Q HN 0.800 nan 8.270 nan 0.000 0.379 902 E N 1.693 121.873 120.200 -0.035 0.000 2.369 902 E HA -0.224 4.127 4.350 0.003 0.000 0.165 902 E C -1.994 174.531 176.600 -0.125 0.000 1.622 902 E CA 1.105 57.456 56.400 -0.082 0.000 0.660 902 E CB -1.278 28.368 29.700 -0.090 0.000 1.085 902 E HN 0.798 nan 8.360 nan 0.000 0.346 903 A N 1.962 124.678 122.820 -0.174 0.000 2.490 903 A HA 0.471 4.793 4.320 0.003 0.000 0.292 903 A C 0.519 177.860 177.584 -0.406 0.000 1.047 903 A CA -0.334 51.459 52.037 -0.406 0.000 0.632 903 A CB 0.002 18.629 19.000 -0.623 0.000 1.323 903 A HN 0.280 nan 8.150 nan 0.000 0.448 904 L N -0.177 120.634 121.223 -0.687 0.000 2.056 904 L HA -0.062 4.280 4.340 0.003 0.000 0.207 904 L C 0.732 177.466 176.870 -0.226 0.000 1.078 904 L CA 0.815 55.388 54.840 -0.445 0.000 0.749 904 L CB -0.377 41.371 42.059 -0.518 0.000 0.901 904 L HN 0.651 nan 8.230 nan 0.000 0.433 905 W N 1.998 123.292 121.300 -0.009 0.000 2.264 905 W HA 0.251 4.912 4.660 0.003 0.000 0.331 905 W C 0.687 177.260 176.519 0.089 0.000 1.364 905 W CA 0.006 57.355 57.345 0.007 0.000 1.253 905 W CB -0.473 28.888 29.460 -0.164 0.000 1.215 905 W HN 0.103 nan 8.180 nan 0.000 0.561 906 S N 1.254 117.256 115.700 0.503 0.000 2.586 906 S HA 0.515 4.987 4.470 0.003 0.000 0.277 906 S C -1.736 173.079 174.600 0.358 0.000 1.131 906 S CA -0.966 57.478 58.200 0.408 0.000 0.848 906 S CB 2.920 66.255 63.200 0.225 0.000 1.091 906 S HN 0.370 nan 8.310 nan 0.000 0.453 907 D N -1.052 119.493 120.400 0.242 0.000 2.685 907 D HA 0.657 5.299 4.640 0.003 0.000 0.236 907 D C -0.402 175.942 176.300 0.073 0.000 1.233 907 D CA 0.321 54.397 54.000 0.126 0.000 0.760 907 D CB 1.563 42.405 40.800 0.071 0.000 1.410 907 D HN 0.996 nan 8.370 nan 0.000 0.439 908 G N -0.257 108.578 108.800 0.058 0.000 2.733 908 G HA2 0.697 4.659 3.960 0.003 0.000 0.288 908 G HA3 0.697 4.659 3.960 0.003 0.000 0.288 908 G C -1.554 173.381 174.900 0.058 0.000 1.373 908 G CA -0.717 44.412 45.100 0.048 0.000 0.895 908 G HN 0.615 nan 8.290 nan 0.000 0.479 909 V N 0.169 120.117 119.914 0.056 0.000 2.739 909 V HA 0.436 4.558 4.120 0.003 0.000 0.293 909 V C -0.542 175.591 176.094 0.065 0.000 1.199 909 V CA -0.772 61.586 62.300 0.096 0.000 0.931 909 V CB 1.809 33.656 31.823 0.040 0.000 1.052 909 V HN 0.848 nan 8.190 nan 0.000 0.441 910 R N 3.879 124.452 120.500 0.121 0.000 2.265 910 R HA 0.626 4.968 4.340 0.003 0.000 0.328 910 R C -0.741 175.614 176.300 0.092 0.000 0.969 910 R CA -0.594 55.559 56.100 0.087 0.000 0.832 910 R CB 1.099 31.453 30.300 0.089 0.000 1.139 910 R HN 0.665 nan 8.270 nan 0.000 0.457 911 K N 3.507 123.901 120.400 -0.010 0.000 2.292 911 K HA 0.286 4.607 4.320 0.003 0.000 0.257 911 K C -0.637 175.959 176.600 -0.008 0.000 0.940 911 K CA -0.777 55.464 56.287 -0.077 0.000 0.811 911 K CB 2.260 34.630 32.500 -0.217 0.000 1.120 911 K HN 0.370 nan 8.250 nan 0.000 0.428 912 K N 2.228 122.637 120.400 0.014 0.000 2.258 912 K HA 0.301 4.623 4.320 0.003 0.000 0.264 912 K C -0.522 176.104 176.600 0.043 0.000 1.007 912 K CA -0.207 56.103 56.287 0.039 0.000 0.941 912 K CB 0.658 33.174 32.500 0.027 0.000 0.966 912 K HN 0.430 nan 8.250 nan 0.000 0.480 913 L N 1.733 123.006 121.223 0.084 0.000 2.422 913 L HA 0.427 4.769 4.340 0.003 0.000 0.264 913 L C -1.396 175.525 176.870 0.084 0.000 0.984 913 L CA -0.907 53.987 54.840 0.089 0.000 0.819 913 L CB 1.822 43.950 42.059 0.116 0.000 1.330 913 L HN 0.432 nan 8.230 nan 0.000 0.410 914 K N 3.425 123.853 120.400 0.047 0.000 2.264 914 K HA 0.495 4.816 4.320 0.003 0.000 0.277 914 K C -1.375 175.223 176.600 -0.004 0.000 1.067 914 K CA -0.372 55.910 56.287 -0.009 0.000 0.900 914 K CB 1.093 33.542 32.500 -0.085 0.000 1.124 914 K HN 0.451 nan 8.250 nan 0.000 0.469 915 V N 5.384 125.322 119.914 0.040 0.000 2.394 915 V HA 0.446 4.568 4.120 0.003 0.000 0.282 915 V C -0.382 175.720 176.094 0.012 0.000 1.031 915 V CA -0.873 61.465 62.300 0.064 0.000 0.881 915 V CB 1.162 33.094 31.823 0.183 0.000 0.982 915 V HN 0.564 nan 8.190 nan 0.000 0.451 916 V N 6.467 126.372 119.914 -0.015 0.000 3.046 916 V HA 0.762 4.884 4.120 0.003 0.000 0.316 916 V C -2.655 173.434 176.094 -0.008 0.000 1.104 916 V CA -2.609 59.671 62.300 -0.032 0.000 1.006 916 V CB 3.081 34.856 31.823 -0.080 0.000 1.058 916 V HN 0.754 nan 8.190 nan 0.000 0.440 917 P HA 0.233 nan 4.420 nan 0.000 0.281 917 P C -0.756 176.542 177.300 -0.005 0.000 1.252 917 P CA -0.028 63.074 63.100 0.003 0.000 0.778 917 P CB 0.468 32.173 31.700 0.009 0.000 0.895 918 E N 2.927 123.127 120.200 0.000 0.000 2.435 918 E HA 0.327 4.678 4.350 0.003 0.000 0.256 918 E C 0.342 176.937 176.600 -0.008 0.000 1.245 918 E CA -0.007 56.391 56.400 -0.004 0.000 0.989 918 E CB -0.305 29.397 29.700 0.003 0.000 0.983 918 E HN 0.675 nan 8.360 nan 0.000 0.480 919 G N -1.249 107.543 108.800 -0.013 0.000 2.587 919 G HA2 0.038 4.000 3.960 0.003 0.000 0.686 919 G HA3 0.038 4.000 3.960 0.003 0.000 0.686 919 G C -1.268 173.612 174.900 -0.033 0.000 1.236 919 G CA -0.335 44.752 45.100 -0.023 0.000 0.820 919 G HN 0.693 nan 8.290 nan 0.000 0.645 920 V N 1.208 121.093 119.914 -0.048 0.000 2.919 920 V HA 0.763 4.885 4.120 0.003 0.000 0.316 920 V C 0.775 176.830 176.094 -0.065 0.000 1.077 920 V CA -0.170 62.104 62.300 -0.044 0.000 0.977 920 V CB 1.751 33.553 31.823 -0.035 0.000 1.039 920 V HN 1.191 nan 8.190 nan 0.000 0.441 921 Q N 4.258 124.043 119.800 -0.025 0.000 2.352 921 Q HA 0.373 4.715 4.340 0.003 0.000 0.260 921 Q C -0.706 175.305 176.000 0.018 0.000 0.976 921 Q CA 0.214 56.025 55.803 0.012 0.000 0.881 921 Q CB 0.701 29.470 28.738 0.052 0.000 1.235 921 Q HN 0.661 nan 8.270 nan 0.000 0.419 922 K N 1.773 122.195 120.400 0.036 0.000 2.542 922 K HA 0.338 4.660 4.320 0.003 0.000 0.259 922 K C -1.877 174.814 176.600 0.152 0.000 0.932 922 K CA -0.608 55.686 56.287 0.012 0.000 0.820 922 K CB 1.755 34.115 32.500 -0.234 0.000 1.345 922 K HN 0.754 nan 8.250 nan 0.000 0.432 923 S N 3.560 119.295 115.700 0.059 0.000 2.498 923 S HA 0.606 5.078 4.470 0.003 0.000 0.317 923 S C -0.727 173.799 174.600 -0.124 0.000 1.090 923 S CA -0.800 57.247 58.200 -0.255 0.000 1.089 923 S CB 0.854 63.821 63.200 -0.387 0.000 0.997 923 S HN 0.416 nan 8.310 nan 0.000 0.470 924 I N 3.654 124.148 120.570 -0.126 0.000 2.382 924 I HA 0.407 4.579 4.170 0.003 0.000 0.286 924 I C -0.649 175.387 176.117 -0.135 0.000 1.002 924 I CA -0.559 60.696 61.300 -0.076 0.000 1.135 924 I CB 1.826 39.821 38.000 -0.008 0.000 1.288 924 I HN 0.639 nan 8.210 nan 0.000 0.448 925 V N 5.383 125.229 119.914 -0.113 0.000 2.472 925 V HA 0.760 4.881 4.120 0.003 0.000 0.290 925 V C 0.094 176.147 176.094 -0.069 0.000 1.037 925 V CA -0.532 61.707 62.300 -0.102 0.000 0.908 925 V CB 1.631 33.397 31.823 -0.095 0.000 0.985 925 V HN 0.807 nan 8.190 nan 0.000 0.454 926 T N 2.168 116.686 114.554 -0.060 0.000 2.906 926 T HA 0.830 5.182 4.350 0.003 0.000 0.295 926 T C -0.783 173.894 174.700 -0.039 0.000 1.061 926 T CA -0.580 61.492 62.100 -0.046 0.000 1.000 926 T CB 2.021 70.862 68.868 -0.045 0.000 1.103 926 T HN 0.423 nan 8.240 nan 0.000 0.486 927 I N 1.870 122.421 120.570 -0.032 0.000 2.531 927 I HA 0.419 4.590 4.170 0.003 0.000 0.283 927 I C -0.313 175.790 176.117 -0.023 0.000 1.083 927 I CA -1.281 60.003 61.300 -0.027 0.000 1.071 927 I CB 1.906 39.889 38.000 -0.028 0.000 1.210 927 I HN 0.622 nan 8.210 nan 0.000 0.450 928 V N 2.247 122.148 119.914 -0.020 0.000 2.617 928 V HA 0.614 4.736 4.120 0.003 0.000 0.298 928 V C -0.013 176.073 176.094 -0.013 0.000 1.048 928 V CA -0.775 61.515 62.300 -0.017 0.000 0.964 928 V CB 1.574 33.387 31.823 -0.018 0.000 1.004 928 V HN 0.461 nan 8.190 nan 0.000 0.466 929 K N 3.712 124.105 120.400 -0.011 0.000 2.172 929 K HA 0.612 4.933 4.320 0.003 0.000 0.276 929 K C -0.828 175.768 176.600 -0.006 0.000 1.013 929 K CA -0.317 55.965 56.287 -0.008 0.000 0.913 929 K CB 1.638 34.134 32.500 -0.008 0.000 1.055 929 K HN 0.732 nan 8.250 nan 0.000 0.461 930 L N 2.581 123.802 121.223 -0.003 0.000 2.298 930 L HA 0.314 4.656 4.340 0.003 0.000 0.284 930 L C -0.253 176.619 176.870 0.003 0.000 1.013 930 L CA -0.524 54.316 54.840 -0.000 0.000 0.824 930 L CB 1.303 43.364 42.059 0.002 0.000 1.221 930 L HN 0.483 nan 8.230 nan 0.000 0.418 931 D N 4.536 124.938 120.400 0.003 0.000 2.527 931 D HA 0.232 4.874 4.640 0.003 0.000 0.242 931 D C -2.113 174.190 176.300 0.006 0.000 1.285 931 D CA -1.369 52.635 54.000 0.005 0.000 0.886 931 D CB 1.819 42.621 40.800 0.004 0.000 1.402 931 D HN 0.075 nan 8.370 nan 0.000 0.528 932 P HA -0.101 nan 4.420 nan 0.000 0.218 932 P C 1.377 178.682 177.300 0.008 0.000 1.148 932 P CA 0.779 63.883 63.100 0.007 0.000 0.822 932 P CB 0.315 32.021 31.700 0.010 0.000 0.784 933 R N -0.204 120.301 120.500 0.009 0.000 2.115 933 R HA -0.012 4.330 4.340 0.003 0.000 0.230 933 R C 1.844 178.149 176.300 0.007 0.000 1.111 933 R CA 1.597 57.702 56.100 0.009 0.000 0.976 933 R CB -0.508 29.799 30.300 0.012 0.000 0.870 933 R HN 0.094 nan 8.270 nan 0.000 0.445 934 A N -0.191 122.633 122.820 0.006 0.000 2.063 934 A HA 0.123 4.445 4.320 0.003 0.000 0.211 934 A C 1.452 179.038 177.584 0.002 0.000 1.177 934 A CA 0.418 52.457 52.037 0.004 0.000 0.759 934 A CB 0.310 19.312 19.000 0.004 0.000 0.857 934 A HN 0.282 nan 8.150 nan 0.000 0.468 935 K N -0.825 119.576 120.400 0.002 0.000 2.380 935 K HA 0.227 4.549 4.320 0.003 0.000 0.200 935 K C 1.236 177.836 176.600 0.000 0.000 1.201 935 K CA 0.365 56.652 56.287 0.000 0.000 0.916 935 K CB 0.024 32.523 32.500 -0.001 0.000 1.187 935 K HN 0.298 nan 8.250 nan 0.000 0.498 936 G N 1.153 109.953 108.800 0.001 0.000 2.699 936 G HA2 0.165 4.127 3.960 0.003 0.000 0.246 936 G HA3 0.165 4.127 3.960 0.003 0.000 0.246 936 G C 1.013 175.913 174.900 0.001 0.000 1.219 936 G CA -0.505 44.595 45.100 0.001 0.000 0.866 936 G HN -0.071 nan 8.290 nan 0.000 0.572 937 V N 1.246 121.161 119.914 0.001 0.000 2.278 937 V HA 0.166 4.288 4.120 0.003 0.000 0.231 937 V C 2.286 178.381 176.094 0.002 0.000 1.048 937 V CA 1.630 63.931 62.300 0.001 0.000 1.015 937 V CB -1.067 30.756 31.823 0.000 0.000 0.652 937 V HN 0.792 nan 8.190 nan 0.000 0.466 938 G N -0.752 108.049 108.800 0.003 0.000 3.717 938 G HA2 0.444 4.406 3.960 0.003 0.000 0.258 938 G HA3 0.444 4.406 3.960 0.003 0.000 0.258 938 G C 1.070 175.973 174.900 0.005 0.000 1.088 938 G CA 0.433 45.535 45.100 0.004 0.000 1.737 938 G HN 1.176 nan 8.290 nan 0.000 0.648 939 G N 0.284 109.087 108.800 0.006 0.000 2.196 939 G HA2 -0.290 3.672 3.960 0.003 0.000 0.268 939 G HA3 -0.290 3.672 3.960 0.003 0.000 0.268 939 G C 0.500 175.405 174.900 0.007 0.000 0.975 939 G CA 0.729 45.833 45.100 0.008 0.000 0.648 939 G HN 0.751 nan 8.290 nan 0.000 0.538 940 T N 0.755 115.312 114.554 0.005 0.000 2.788 940 T HA 0.526 4.878 4.350 0.003 0.000 0.296 940 T C -0.097 174.603 174.700 0.001 0.000 1.009 940 T CA -0.180 61.922 62.100 0.003 0.000 0.949 940 T CB 1.442 70.312 68.868 0.003 0.000 0.946 940 T HN 0.434 nan 8.240 nan 0.000 0.453 941 Q N 4.769 124.569 119.800 0.000 0.000 2.347 941 Q HA 0.345 4.687 4.340 0.003 0.000 0.262 941 Q C -1.054 174.942 176.000 -0.006 0.000 0.980 941 Q CA -0.909 54.892 55.803 -0.002 0.000 0.867 941 Q CB 0.562 29.299 28.738 -0.002 0.000 1.242 941 Q HN 0.386 nan 8.270 nan 0.000 0.453 942 L N 4.394 125.613 121.223 -0.007 0.000 2.282 942 L HA 0.378 4.720 4.340 0.003 0.000 0.287 942 L C -0.175 176.688 176.870 -0.012 0.000 1.075 942 L CA 0.134 54.968 54.840 -0.010 0.000 0.839 942 L CB 0.547 42.600 42.059 -0.009 0.000 1.219 942 L HN 0.670 nan 8.230 nan 0.000 0.434 943 E N 2.692 122.883 120.200 -0.015 0.000 2.151 943 E HA 0.496 4.848 4.350 0.003 0.000 0.275 943 E C -0.772 175.816 176.600 -0.020 0.000 0.936 943 E CA -0.404 55.986 56.400 -0.017 0.000 0.777 943 E CB 3.114 32.804 29.700 -0.017 0.000 1.108 943 E HN 0.143 nan 8.360 nan 0.000 0.401 944 V N 3.935 123.837 119.914 -0.020 0.000 2.769 944 V HA 0.470 4.592 4.120 0.003 0.000 0.312 944 V C -0.646 175.433 176.094 -0.024 0.000 1.061 944 V CA -0.798 61.489 62.300 -0.022 0.000 0.931 944 V CB 1.956 33.767 31.823 -0.020 0.000 1.010 944 V HN 0.451 nan 8.190 nan 0.000 0.433 945 I N 5.277 125.831 120.570 -0.027 0.000 2.448 945 I HA 0.389 4.561 4.170 0.003 0.000 0.281 945 I C -0.001 176.096 176.117 -0.032 0.000 1.027 945 I CA -0.777 60.505 61.300 -0.030 0.000 1.111 945 I CB 1.517 39.497 38.000 -0.034 0.000 1.236 945 I HN 0.398 nan 8.210 nan 0.000 0.452 946 K N 4.168 124.550 120.400 -0.031 0.000 2.414 946 K HA 0.396 4.718 4.320 0.003 0.000 0.272 946 K C 0.288 176.863 176.600 -0.041 0.000 0.993 946 K CA -0.266 56.001 56.287 -0.032 0.000 0.964 946 K CB 0.219 32.702 32.500 -0.029 0.000 0.925 946 K HN 0.612 nan 8.250 nan 0.000 0.487 947 A N 4.035 126.829 122.820 -0.043 0.000 2.526 947 A HA -0.006 4.316 4.320 0.003 0.000 0.267 947 A C 0.085 177.627 177.584 -0.069 0.000 1.095 947 A CA -0.037 51.967 52.037 -0.056 0.000 0.775 947 A CB -0.443 18.526 19.000 -0.051 0.000 1.036 947 A HN 0.573 nan 8.150 nan 0.000 0.510 948 R N 2.172 122.619 120.500 -0.087 0.000 2.537 948 R HA 0.066 4.408 4.340 0.003 0.000 0.281 948 R C 0.129 176.362 176.300 -0.112 0.000 0.988 948 R CA 0.495 56.537 56.100 -0.097 0.000 1.077 948 R CB 0.257 30.487 30.300 -0.117 0.000 0.932 948 R HN 0.712 nan 8.270 nan 0.000 0.409 949 K N 2.825 123.178 120.400 -0.078 0.000 2.440 949 K HA 0.085 4.406 4.320 0.003 0.000 0.270 949 K C 0.171 176.719 176.600 -0.086 0.000 0.980 949 K CA 0.256 56.505 56.287 -0.064 0.000 0.953 949 K CB 0.415 32.895 32.500 -0.034 0.000 0.925 949 K HN 0.364 nan 8.250 nan 0.000 0.497 950 L N -0.024 121.161 121.223 -0.064 0.000 3.317 950 L HA 0.247 4.589 4.340 0.003 0.000 0.224 950 L C -0.676 176.230 176.870 0.060 0.000 1.944 950 L CA -0.942 53.877 54.840 -0.035 0.000 1.937 950 L CB 0.714 42.665 42.059 -0.179 0.000 1.936 950 L HN 0.636 nan 8.230 nan 0.000 0.556 951 D N -0.052 120.416 120.400 0.114 0.000 3.110 951 D HA -0.130 4.511 4.640 0.003 0.000 0.214 951 D C -0.126 176.232 176.300 0.097 0.000 1.112 951 D CA 1.023 55.080 54.000 0.093 0.000 0.927 951 D CB -1.414 39.414 40.800 0.047 0.000 1.095 951 D HN 0.705 nan 8.370 nan 0.000 0.429 952 D N -0.337 120.146 120.400 0.138 0.000 2.340 952 D HA 0.055 4.696 4.640 0.003 0.000 0.217 952 D C 1.025 177.375 176.300 0.084 0.000 1.081 952 D CA -0.216 53.838 54.000 0.090 0.000 0.842 952 D CB 0.254 41.098 40.800 0.074 0.000 0.934 952 D HN 0.326 nan 8.370 nan 0.000 0.511 953 R N 0.270 120.865 120.500 0.159 0.000 2.747 953 R HA 0.384 4.725 4.340 0.003 0.000 0.278 953 R C -0.582 175.771 176.300 0.090 0.000 1.153 953 R CA -0.412 55.794 56.100 0.176 0.000 1.206 953 R CB 0.607 31.071 30.300 0.272 0.000 1.161 953 R HN -0.112 nan 8.270 nan 0.000 0.589 954 V N 1.968 121.933 119.914 0.086 0.000 2.769 954 V HA 0.438 4.560 4.120 0.003 0.000 0.312 954 V C -2.186 173.945 176.094 0.062 0.000 1.061 954 V CA -2.079 60.254 62.300 0.055 0.000 0.931 954 V CB 1.468 33.313 31.823 0.035 0.000 1.010 954 V HN 0.866 nan 8.190 nan 0.000 0.433 955 P HA 0.158 nan 4.420 nan 0.000 0.272 955 P C -0.435 176.888 177.300 0.039 0.000 1.230 955 P CA 0.159 63.283 63.100 0.040 0.000 0.788 955 P CB 0.370 32.088 31.700 0.030 0.000 0.949 956 D N -1.479 118.943 120.400 0.036 0.000 2.702 956 D HA -0.148 4.494 4.640 0.003 0.000 0.233 956 D C 0.570 176.892 176.300 0.036 0.000 1.164 956 D CA 1.391 55.410 54.000 0.031 0.000 0.638 956 D CB -1.774 39.040 40.800 0.023 0.000 1.041 956 D HN 0.583 nan 8.370 nan 0.000 0.422 957 T N -3.701 110.883 114.554 0.050 0.000 2.923 957 T HA 0.523 4.874 4.350 0.003 0.000 0.281 957 T C 0.372 175.111 174.700 0.065 0.000 0.995 957 T CA -0.945 61.188 62.100 0.054 0.000 0.985 957 T CB 2.566 71.474 68.868 0.066 0.000 1.114 957 T HN -0.034 nan 8.240 nan 0.000 0.548 958 E N -0.315 119.923 120.200 0.063 0.000 2.438 958 E HA 0.402 4.754 4.350 0.003 0.000 0.261 958 E C -0.917 175.754 176.600 0.119 0.000 1.103 958 E CA 0.151 56.593 56.400 0.071 0.000 0.959 958 E CB 0.156 29.888 29.700 0.054 0.000 0.958 958 E HN 0.585 nan 8.360 nan 0.000 0.447 959 I N 2.765 123.405 120.570 0.116 0.000 2.651 959 I HA 0.146 4.318 4.170 0.003 0.000 0.287 959 I C -1.322 174.876 176.117 0.135 0.000 1.244 959 I CA -0.432 60.956 61.300 0.147 0.000 1.061 959 I CB 1.852 39.906 38.000 0.090 0.000 1.286 959 I HN 0.501 nan 8.210 nan 0.000 0.434 960 E N 5.173 125.495 120.200 0.203 0.000 2.182 960 E HA 0.454 4.806 4.350 0.003 0.000 0.258 960 E C -0.892 175.842 176.600 0.224 0.000 0.879 960 E CA -0.454 56.063 56.400 0.195 0.000 0.754 960 E CB 1.349 31.165 29.700 0.193 0.000 1.162 960 E HN 0.502 nan 8.360 nan 0.000 0.419 961 T N 2.171 116.805 114.554 0.132 0.000 2.772 961 T HA 0.447 4.799 4.350 0.003 0.000 0.288 961 T C -0.135 174.626 174.700 0.102 0.000 0.994 961 T CA -1.020 61.139 62.100 0.099 0.000 0.951 961 T CB 0.952 69.840 68.868 0.033 0.000 0.933 961 T HN 0.271 nan 8.240 nan 0.000 0.447 962 K N 3.608 124.087 120.400 0.131 0.000 2.227 962 K HA 0.453 4.775 4.320 0.003 0.000 0.280 962 K C -0.590 176.055 176.600 0.075 0.000 1.041 962 K CA -0.614 55.745 56.287 0.120 0.000 0.905 962 K CB 1.502 34.108 32.500 0.178 0.000 1.068 962 K HN 0.658 nan 8.250 nan 0.000 0.470 963 I N 4.413 125.017 120.570 0.055 0.000 2.412 963 I HA 0.340 4.511 4.170 0.003 0.000 0.296 963 I C -0.564 175.579 176.117 0.043 0.000 0.987 963 I CA -0.702 60.615 61.300 0.027 0.000 1.180 963 I CB 0.972 38.969 38.000 -0.004 0.000 1.340 963 I HN 0.531 nan 8.210 nan 0.000 0.455 964 I N 8.604 129.196 120.570 0.037 0.000 2.576 964 I HA 0.312 4.483 4.170 0.003 0.000 0.279 964 I C -0.633 175.510 176.117 0.044 0.000 1.114 964 I CA -0.328 61.005 61.300 0.056 0.000 1.076 964 I CB 1.066 39.102 38.000 0.060 0.000 1.212 964 I HN 0.392 nan 8.210 nan 0.000 0.472 965 I N 4.415 125.023 120.570 0.062 0.000 2.498 965 I HA 0.710 4.882 4.170 0.003 0.000 0.301 965 I C -0.783 175.372 176.117 0.064 0.000 0.984 965 I CA -0.445 60.888 61.300 0.056 0.000 1.204 965 I CB 1.847 39.882 38.000 0.057 0.000 1.362 965 I HN 0.568 nan 8.210 nan 0.000 0.471 966 Q N 3.736 123.559 119.800 0.038 0.000 2.295 966 Q HA 0.573 4.915 4.340 0.003 0.000 0.268 966 Q C -0.905 175.100 176.000 0.008 0.000 1.010 966 Q CA -0.886 54.932 55.803 0.025 0.000 0.856 966 Q CB 1.594 30.340 28.738 0.013 0.000 1.349 966 Q HN 0.967 nan 8.270 nan 0.000 0.412 967 G N 1.900 110.701 108.800 0.003 0.000 2.491 967 G HA2 0.261 4.223 3.960 0.003 0.000 0.242 967 G HA3 0.261 4.223 3.960 0.003 0.000 0.242 967 G C -0.743 174.141 174.900 -0.027 0.000 1.266 967 G CA -0.249 44.846 45.100 -0.007 0.000 0.844 967 G HN 0.653 nan 8.290 nan 0.000 0.571 968 D N 2.243 122.630 120.400 -0.021 0.000 2.313 968 D HA 0.355 4.997 4.640 0.003 0.000 0.239 968 D C -1.663 174.617 176.300 -0.033 0.000 1.142 968 D CA -0.777 53.207 54.000 -0.027 0.000 0.847 968 D CB 1.545 42.336 40.800 -0.015 0.000 1.082 968 D HN 0.099 nan 8.370 nan 0.000 0.480 1272 D N 2.064 122.550 120.400 0.143 0.000 2.358 1272 D HA 0.377 5.019 4.640 0.003 0.000 0.253 1272 D C -1.302 175.060 176.300 0.104 0.000 1.288 1272 D CA -0.514 53.568 54.000 0.136 0.000 0.950 1272 D CB 0.506 41.350 40.800 0.072 0.000 1.197 1272 D HN 0.385 nan 8.370 nan 0.000 0.550 1273 L N 1.534 122.827 121.223 0.117 0.000 2.334 1273 L HA 0.738 5.080 4.340 0.003 0.000 0.272 1273 L C -0.578 176.336 176.870 0.072 0.000 1.020 1273 L CA -0.533 54.352 54.840 0.075 0.000 0.812 1273 L CB 1.663 43.754 42.059 0.053 0.000 1.264 1273 L HN 0.204 nan 8.230 nan 0.000 0.439 1274 N N 2.695 121.426 118.700 0.053 0.000 2.572 1274 N HA 0.460 5.202 4.740 0.003 0.000 0.287 1274 N C -2.105 173.430 175.510 0.040 0.000 1.136 1274 N CA -0.246 52.834 53.050 0.050 0.000 0.900 1274 N CB 1.610 40.125 38.487 0.047 0.000 1.484 1274 N HN 0.747 nan 8.380 nan 0.000 0.526 1275 L N 2.265 123.513 121.223 0.042 0.000 2.372 1275 L HA 0.353 4.695 4.340 0.003 0.000 0.274 1275 L C -0.329 176.568 176.870 0.046 0.000 0.988 1275 L CA -0.788 54.076 54.840 0.039 0.000 0.833 1275 L CB 1.789 43.871 42.059 0.038 0.000 1.236 1275 L HN 0.410 nan 8.230 nan 0.000 0.410 1276 D N 3.693 124.117 120.400 0.040 0.000 2.308 1276 D HA 0.462 5.103 4.640 0.003 0.000 0.251 1276 D C -0.915 175.409 176.300 0.039 0.000 1.127 1276 D CA 0.232 54.258 54.000 0.043 0.000 0.876 1276 D CB 1.231 42.051 40.800 0.033 0.000 1.176 1276 D HN 0.385 nan 8.370 nan 0.000 0.446 1277 I N 2.529 123.129 120.570 0.050 0.000 2.569 1277 I HA 0.280 4.452 4.170 0.003 0.000 0.290 1277 I C -0.889 175.226 176.117 -0.003 0.000 1.088 1277 I CA -0.389 60.926 61.300 0.025 0.000 1.047 1277 I CB 2.014 40.033 38.000 0.032 0.000 1.237 1277 I HN 0.233 nan 8.210 nan 0.000 0.421 1278 T N 7.486 122.023 114.554 -0.028 0.000 2.888 1278 T HA 0.587 4.939 4.350 0.003 0.000 0.284 1278 T C -0.920 173.730 174.700 -0.082 0.000 1.017 1278 T CA -0.410 61.661 62.100 -0.048 0.000 1.022 1278 T CB 1.363 70.215 68.868 -0.027 0.000 1.013 1278 T HN 0.263 nan 8.240 nan 0.000 0.465 1279 I N 3.088 123.595 120.570 -0.105 0.000 2.500 1279 I HA 0.411 4.583 4.170 0.003 0.000 0.286 1279 I C -0.802 175.265 176.117 -0.083 0.000 1.063 1279 I CA -0.802 60.427 61.300 -0.117 0.000 1.062 1279 I CB 1.761 39.640 38.000 -0.202 0.000 1.223 1279 I HN 0.740 nan 8.210 nan 0.000 0.435 1280 E N 7.479 127.643 120.200 -0.060 0.000 2.256 1280 E HA 0.729 5.081 4.350 0.003 0.000 0.268 1280 E C -1.407 175.171 176.600 -0.037 0.000 0.877 1280 E CA -0.672 55.702 56.400 -0.043 0.000 0.757 1280 E CB 2.990 32.670 29.700 -0.032 0.000 1.183 1280 E HN 0.386 nan 8.360 nan 0.000 0.418 1281 L N 1.822 123.027 121.223 -0.031 0.000 2.393 1281 L HA 0.469 4.811 4.340 0.003 0.000 0.260 1281 L C -2.114 174.745 176.870 -0.019 0.000 1.002 1281 L CA -2.283 52.542 54.840 -0.025 0.000 0.818 1281 L CB 1.427 43.471 42.059 -0.025 0.000 1.369 1281 L HN 0.257 nan 8.230 nan 0.000 0.412 1282 P HA -0.185 nan 4.420 nan 0.000 0.216 1282 P C 0.685 177.978 177.300 -0.011 0.000 1.154 1282 P CA 1.300 64.393 63.100 -0.013 0.000 0.865 1282 P CB 0.233 31.926 31.700 -0.012 0.000 0.789 1283 D N -1.256 119.137 120.400 -0.011 0.000 3.523 1283 D HA -0.219 4.422 4.640 0.003 0.000 0.258 1283 D C 1.156 177.452 176.300 -0.007 0.000 1.189 1283 D CA 1.781 55.776 54.000 -0.008 0.000 0.935 1283 D CB -0.204 40.591 40.800 -0.009 0.000 1.003 1283 D HN 0.088 nan 8.370 nan 0.000 0.545 1284 R N -0.975 119.520 120.500 -0.009 0.000 2.905 1284 R HA 0.395 4.736 4.340 0.003 0.000 0.260 1284 R C 0.550 176.845 176.300 -0.008 0.000 1.086 1284 R CA -0.353 55.742 56.100 -0.007 0.000 0.978 1284 R CB 0.842 31.139 30.300 -0.005 0.000 1.215 1284 R HN -0.060 nan 8.270 nan 0.000 0.480 1285 E N -0.138 120.059 120.200 -0.006 0.000 2.057 1285 E HA 0.134 4.486 4.350 0.003 0.000 0.190 1285 E C -0.218 176.378 176.600 -0.007 0.000 0.969 1285 E CA 0.467 56.863 56.400 -0.007 0.000 0.812 1285 E CB 0.311 30.008 29.700 -0.005 0.000 0.777 1285 E HN 0.271 nan 8.360 nan 0.000 0.455 1286 V N 5.521 125.432 119.914 -0.004 0.000 2.382 1286 V HA 0.038 4.160 4.120 0.003 0.000 0.250 1286 V C -1.904 174.186 176.094 -0.006 0.000 1.069 1286 V CA -0.620 61.679 62.300 -0.003 0.000 1.130 1286 V CB -0.620 31.204 31.823 0.002 0.000 1.165 1286 V HN 0.276 nan 8.190 nan 0.000 0.483 1287 P HA 0.340 nan 4.420 nan 0.000 0.274 1287 P C -0.179 177.106 177.300 -0.025 0.000 1.246 1287 P CA -0.409 62.676 63.100 -0.024 0.000 0.795 1287 P CB 1.241 32.925 31.700 -0.026 0.000 1.006 1288 I N 0.662 121.200 120.570 -0.054 0.000 2.612 1288 I HA 0.400 4.571 4.170 0.003 0.000 0.295 1288 I C 1.046 177.118 176.117 -0.075 0.000 1.011 1288 I CA -0.531 60.733 61.300 -0.060 0.000 1.326 1288 I CB 0.561 38.477 38.000 -0.142 0.000 1.427 1288 I HN 0.286 nan 8.210 nan 0.000 0.537 1289 R N 3.752 124.265 120.500 0.022 0.000 2.532 1289 R HA 0.466 4.808 4.340 0.003 0.000 0.297 1289 R C -1.808 174.690 176.300 0.329 0.000 0.984 1289 R CA -0.582 55.560 56.100 0.070 0.000 0.884 1289 R CB 1.494 31.833 30.300 0.065 0.000 1.182 1289 R HN 0.406 nan 8.270 nan 0.000 0.442 1290 Y N 1.680 121.983 120.300 0.004 0.000 2.509 1290 Y HA 0.510 5.062 4.550 0.003 0.000 0.341 1290 Y C 0.011 175.916 175.900 0.007 0.000 1.038 1290 Y CA -1.381 56.722 58.100 0.005 0.000 1.089 1290 Y CB 1.752 40.215 38.460 0.005 0.000 1.241 1290 Y HN 0.463 nan 8.280 nan 0.000 0.468 1291 R N 1.594 122.181 120.500 0.145 0.000 2.562 1291 R HA 0.724 5.065 4.340 0.003 0.000 0.298 1291 R C -1.842 174.493 176.300 0.058 0.000 0.961 1291 R CA -0.535 55.615 56.100 0.082 0.000 0.881 1291 R CB 1.024 31.354 30.300 0.049 0.000 1.159 1291 R HN 0.607 nan 8.270 nan 0.000 0.450 1292 I N 3.411 124.017 120.570 0.059 0.000 2.608 1292 I HA 0.466 4.638 4.170 0.003 0.000 0.295 1292 I C -1.088 175.057 176.117 0.046 0.000 1.049 1292 I CA -0.359 60.967 61.300 0.044 0.000 1.063 1292 I CB 2.081 40.110 38.000 0.048 0.000 1.248 1292 I HN 0.947 nan 8.210 nan 0.000 0.424 1293 N N 3.355 122.084 118.700 0.048 0.000 3.506 1293 N HA 0.209 4.950 4.740 0.003 0.000 0.331 1293 N C 0.004 175.574 175.510 0.100 0.000 1.631 1293 N CA -0.683 52.415 53.050 0.079 0.000 0.786 1293 N CB 0.210 38.750 38.487 0.088 0.000 2.023 1293 N HN 0.426 nan 8.380 nan 0.000 0.621 1294 Y N -0.081 120.239 120.300 0.033 0.000 2.509 1294 Y HA 0.055 4.607 4.550 0.003 0.000 0.293 1294 Y C 1.279 177.211 175.900 0.053 0.000 1.133 1294 Y CA 1.280 59.408 58.100 0.045 0.000 1.283 1294 Y CB 0.204 38.694 38.460 0.049 0.000 1.001 1294 Y HN 0.539 nan 8.280 nan 0.000 0.555 1295 E N 0.361 120.687 120.200 0.210 0.000 2.150 1295 E HA -0.160 4.192 4.350 0.003 0.000 0.193 1295 E C 0.657 177.301 176.600 0.074 0.000 0.985 1295 E CA 1.598 58.091 56.400 0.155 0.000 0.814 1295 E CB -0.145 29.619 29.700 0.107 0.000 0.752 1295 E HN 0.832 nan 8.360 nan 0.000 0.466 1296 N N -2.421 116.295 118.700 0.026 0.000 2.301 1296 N HA 0.322 5.063 4.740 0.003 0.000 0.247 1296 N C 0.909 176.401 175.510 -0.030 0.000 1.347 1296 N CA 0.452 53.500 53.050 -0.003 0.000 0.844 1296 N CB 0.399 38.884 38.487 -0.002 0.000 1.332 1296 N HN 0.044 nan 8.380 nan 0.000 0.494 1297 A N 0.978 123.758 122.820 -0.065 0.000 1.882 1297 A HA -0.159 4.163 4.320 0.003 0.000 0.220 1297 A C 1.076 178.621 177.584 -0.066 0.000 1.253 1297 A CA 1.012 53.002 52.037 -0.080 0.000 0.664 1297 A CB -0.695 18.207 19.000 -0.163 0.000 0.838 1297 A HN 0.366 nan 8.150 nan 0.000 0.460 1298 L N 0.377 121.543 121.223 -0.094 0.000 2.400 1298 L HA 0.304 4.646 4.340 0.003 0.000 0.262 1298 L C -0.403 176.452 176.870 -0.024 0.000 1.309 1298 L CA 0.630 55.432 54.840 -0.063 0.000 1.186 1298 L CB -0.831 41.175 42.059 -0.088 0.000 1.375 1298 L HN 0.479 nan 8.230 nan 0.000 0.433 1299 L N 1.823 123.042 121.223 -0.008 0.000 2.376 1299 L HA 0.672 5.014 4.340 0.003 0.000 0.258 1299 L C -0.125 176.759 176.870 0.023 0.000 1.013 1299 L CA -0.449 54.397 54.840 0.010 0.000 0.822 1299 L CB 2.058 44.113 42.059 -0.007 0.000 1.388 1299 L HN 0.338 nan 8.230 nan 0.000 0.413 1300 A N 3.272 126.113 122.820 0.035 0.000 2.410 1300 A HA 0.537 4.859 4.320 0.003 0.000 0.292 1300 A C -0.452 177.168 177.584 0.060 0.000 1.232 1300 A CA -0.399 51.669 52.037 0.050 0.000 0.893 1300 A CB -0.430 18.605 19.000 0.057 0.000 1.131 1300 A HN 0.477 nan 8.150 nan 0.000 0.530 1301 R N 3.172 123.737 120.500 0.109 0.000 2.937 1301 R HA 0.281 4.622 4.340 0.003 0.000 0.264 1301 R C -0.786 175.669 176.300 0.259 0.000 1.334 1301 R CA -0.147 56.094 56.100 0.236 0.000 1.516 1301 R CB -0.505 29.996 30.300 0.335 0.000 1.187 1301 R HN 0.557 nan 8.270 nan 0.000 0.609 1302 T N 0.071 114.754 114.554 0.215 0.000 2.829 1302 T HA 0.518 4.870 4.350 0.003 0.000 0.282 1302 T C -0.271 174.530 174.700 0.168 0.000 0.990 1302 T CA -0.619 61.578 62.100 0.163 0.000 1.028 1302 T CB 2.218 71.171 68.868 0.141 0.000 0.951 1302 T HN 0.114 nan 8.240 nan 0.000 0.460 1303 V N 3.012 122.985 119.914 0.099 0.000 2.777 1303 V HA 0.524 4.645 4.120 0.003 0.000 0.306 1303 V C -1.281 174.841 176.094 0.047 0.000 1.112 1303 V CA -0.789 61.551 62.300 0.067 0.000 0.917 1303 V CB 2.020 33.849 31.823 0.011 0.000 1.018 1303 V HN 0.999 nan 8.190 nan 0.000 0.426 1304 E N 3.592 123.823 120.200 0.051 0.000 2.221 1304 E HA 0.695 5.047 4.350 0.003 0.000 0.268 1304 E C -1.256 175.366 176.600 0.036 0.000 0.933 1304 E CA -0.558 55.875 56.400 0.055 0.000 0.809 1304 E CB 2.409 32.152 29.700 0.072 0.000 1.190 1304 E HN 0.470 nan 8.360 nan 0.000 0.406 1305 T N 1.259 115.835 114.554 0.037 0.000 2.956 1305 T HA 0.357 4.709 4.350 0.003 0.000 0.312 1305 T C -0.529 174.192 174.700 0.036 0.000 1.151 1305 T CA -0.685 61.431 62.100 0.026 0.000 1.024 1305 T CB 1.076 69.950 68.868 0.010 0.000 1.140 1305 T HN 0.404 nan 8.240 nan 0.000 0.473 1306 K N 2.563 122.982 120.400 0.031 0.000 3.101 1306 K HA 0.464 4.786 4.320 0.003 0.000 0.229 1306 K C -0.983 175.634 176.600 0.028 0.000 1.232 1306 K CA -0.319 55.991 56.287 0.038 0.000 1.210 1306 K CB 0.202 32.722 32.500 0.034 0.000 1.284 1306 K HN 0.236 nan 8.250 nan 0.000 0.448 1307 L N 1.042 122.277 121.223 0.020 0.000 2.795 1307 L HA 0.161 4.503 4.340 0.003 0.000 0.260 1307 L C -1.531 175.336 176.870 -0.005 0.000 0.935 1307 L CA -0.685 54.160 54.840 0.008 0.000 0.985 1307 L CB 1.225 43.287 42.059 0.004 0.000 1.433 1307 L HN 0.179 nan 8.230 nan 0.000 0.447 1308 N N 4.902 123.590 118.700 -0.020 0.000 2.497 1308 N HA 0.397 5.138 4.740 0.003 0.000 0.268 1308 N C -1.066 174.421 175.510 -0.038 0.000 1.171 1308 N CA 0.148 53.173 53.050 -0.041 0.000 0.948 1308 N CB 1.181 39.619 38.487 -0.082 0.000 1.069 1308 N HN 0.792 nan 8.380 nan 0.000 0.460 1309 Q N 0.403 120.182 119.800 -0.035 0.000 2.702 1309 Q HA 0.269 4.610 4.340 0.003 0.000 0.289 1309 Q C -1.826 174.155 176.000 -0.031 0.000 0.923 1309 Q CA -0.965 54.820 55.803 -0.030 0.000 0.787 1309 Q CB 0.662 29.387 28.738 -0.022 0.000 1.476 1309 Q HN 0.377 nan 8.270 nan 0.000 0.402 1310 D N 1.693 122.076 120.400 -0.028 0.000 2.472 1310 D HA 0.135 4.776 4.640 0.003 0.000 0.248 1310 D C -0.292 175.992 176.300 -0.028 0.000 1.174 1310 D CA 0.741 54.724 54.000 -0.028 0.000 0.883 1310 D CB 0.451 41.236 40.800 -0.024 0.000 1.149 1310 D HN 0.292 nan 8.370 nan 0.000 0.488 1311 I N 1.549 122.101 120.570 -0.031 0.000 2.499 1311 I HA 0.121 4.292 4.170 0.003 0.000 0.296 1311 I C 0.900 176.997 176.117 -0.032 0.000 0.992 1311 I CA -0.065 61.215 61.300 -0.033 0.000 1.297 1311 I CB 1.419 39.398 38.000 -0.036 0.000 1.410 1311 I HN 0.105 nan 8.210 nan 0.000 0.507 1312 T N 4.945 119.478 114.554 -0.035 0.000 3.226 1312 T HA 0.344 4.695 4.350 0.003 0.000 0.378 1312 T C -0.435 174.242 174.700 -0.039 0.000 1.380 1312 T CA -0.557 61.524 62.100 -0.033 0.000 1.396 1312 T CB 0.250 69.101 68.868 -0.028 0.000 1.044 1312 T HN 0.346 nan 8.240 nan 0.000 0.586 1313 V N 1.285 121.175 119.914 -0.039 0.000 2.583 1313 V HA 0.652 4.774 4.120 0.003 0.000 0.287 1313 V C 0.249 176.325 176.094 -0.030 0.000 1.051 1313 V CA -0.479 61.795 62.300 -0.042 0.000 1.010 1313 V CB 0.832 32.631 31.823 -0.040 0.000 0.988 1313 V HN 0.661 nan 8.190 nan 0.000 0.478 1314 T N 4.085 118.622 114.554 -0.028 0.000 3.064 1314 T HA 0.635 4.987 4.350 0.003 0.000 0.367 1314 T C 0.105 174.799 174.700 -0.010 0.000 1.202 1314 T CA 0.106 62.196 62.100 -0.017 0.000 1.133 1314 T CB 0.968 69.827 68.868 -0.015 0.000 1.074 1314 T HN 1.165 nan 8.240 nan 0.000 0.519 1315 A N 2.503 125.319 122.820 -0.006 0.000 2.506 1315 A HA 0.629 4.950 4.320 0.003 0.000 0.320 1315 A C 0.526 178.113 177.584 0.006 0.000 1.424 1315 A CA -0.514 51.524 52.037 0.002 0.000 1.044 1315 A CB 0.179 19.180 19.000 0.003 0.000 1.140 1315 A HN 0.576 nan 8.150 nan 0.000 0.538 1316 S N 2.332 118.038 115.700 0.010 0.000 2.498 1316 S HA 0.762 5.233 4.470 0.003 0.000 0.324 1316 S C 0.476 175.086 174.600 0.017 0.000 1.071 1316 S CA 0.369 58.576 58.200 0.011 0.000 1.113 1316 S CB 0.355 63.560 63.200 0.010 0.000 0.976 1316 S HN 1.635 nan 8.310 nan 0.000 0.462 1317 G N 3.915 112.725 108.800 0.017 0.000 2.539 1317 G HA2 0.294 4.256 3.960 0.003 0.000 0.138 1317 G HA3 0.294 4.256 3.960 0.003 0.000 0.138 1317 G C -1.045 173.867 174.900 0.020 0.000 1.148 1317 G CA -0.087 45.025 45.100 0.021 0.000 1.057 1317 G HN 0.544 nan 8.290 nan 0.000 0.511 1318 D N -1.100 119.314 120.400 0.023 0.000 2.119 1318 D HA 0.283 4.925 4.640 0.003 0.000 0.311 1318 D C 1.359 177.674 176.300 0.024 0.000 1.155 1318 D CA 0.433 54.446 54.000 0.022 0.000 1.036 1318 D CB 0.250 41.065 40.800 0.025 0.000 1.855 1318 D HN 0.684 nan 8.370 nan 0.000 0.523 1319 G N 0.796 109.613 108.800 0.029 0.000 2.647 1319 G HA2 0.235 4.197 3.960 0.003 0.000 0.271 1319 G HA3 0.235 4.197 3.960 0.003 0.000 0.271 1319 G C -0.084 174.828 174.900 0.020 0.000 1.300 1319 G CA -0.201 44.916 45.100 0.029 0.000 0.997 1319 G HN -0.067 nan 8.290 nan 0.000 0.533 1320 K N -0.848 119.561 120.400 0.016 0.000 2.139 1320 K HA 0.680 5.002 4.320 0.003 0.000 0.243 1320 K C -0.356 176.248 176.600 0.007 0.000 0.983 1320 K CA -0.397 55.896 56.287 0.009 0.000 0.890 1320 K CB 2.074 34.577 32.500 0.006 0.000 1.090 1320 K HN 0.656 nan 8.250 nan 0.000 0.445 1321 A N 0.718 123.541 122.820 0.005 0.000 2.589 1321 A HA 0.457 4.778 4.320 0.003 0.000 0.296 1321 A C -1.209 176.376 177.584 0.002 0.000 1.062 1321 A CA -0.645 51.395 52.037 0.006 0.000 0.686 1321 A CB 1.817 20.826 19.000 0.015 0.000 1.282 1321 A HN 0.486 nan 8.150 nan 0.000 0.404 1322 T N 2.187 116.742 114.554 0.001 0.000 2.771 1322 T HA 0.567 4.919 4.350 0.003 0.000 0.281 1322 T C -0.316 174.384 174.700 0.001 0.000 0.982 1322 T CA 0.031 62.129 62.100 -0.003 0.000 0.978 1322 T CB 0.583 69.446 68.868 -0.009 0.000 0.930 1322 T HN 0.625 nan 8.240 nan 0.000 0.447 1323 M N 3.745 123.343 119.600 -0.003 0.000 2.227 1323 M HA 0.463 4.944 4.480 0.003 0.000 0.335 1323 M C -0.913 175.381 176.300 -0.010 0.000 1.053 1323 M CA -0.366 54.932 55.300 -0.004 0.000 0.973 1323 M CB 1.086 33.680 32.600 -0.009 0.000 1.623 1323 M HN 0.517 nan 8.290 nan 0.000 0.434 1324 T N 5.357 119.907 114.554 -0.006 0.000 2.833 1324 T HA 0.515 4.867 4.350 0.003 0.000 0.297 1324 T C -0.245 174.449 174.700 -0.010 0.000 1.015 1324 T CA -0.518 61.574 62.100 -0.013 0.000 0.963 1324 T CB 0.426 69.286 68.868 -0.013 0.000 0.955 1324 T HN 0.581 nan 8.240 nan 0.000 0.449 1325 I N 4.170 124.727 120.570 -0.022 0.000 2.297 1325 I HA 0.282 4.454 4.170 0.003 0.000 0.291 1325 I C -0.171 175.920 176.117 -0.042 0.000 1.033 1325 I CA -0.740 60.546 61.300 -0.024 0.000 1.253 1325 I CB 0.973 38.954 38.000 -0.032 0.000 1.396 1325 I HN 0.371 nan 8.210 nan 0.000 0.476 1326 L N 7.305 128.508 121.223 -0.032 0.000 2.280 1326 L HA 0.517 4.858 4.340 0.003 0.000 0.287 1326 L C -0.588 176.216 176.870 -0.109 0.000 1.023 1326 L CA 0.149 54.937 54.840 -0.086 0.000 0.819 1326 L CB 1.457 43.502 42.059 -0.024 0.000 1.212 1326 L HN 0.556 nan 8.230 nan 0.000 0.420 1327 T N 4.750 119.171 114.554 -0.222 0.000 2.885 1327 T HA 0.631 4.983 4.350 0.003 0.000 0.285 1327 T C -1.023 173.525 174.700 -0.252 0.000 1.019 1327 T CA -0.229 61.784 62.100 -0.146 0.000 1.010 1327 T CB 1.545 70.349 68.868 -0.107 0.000 1.022 1327 T HN 0.286 nan 8.240 nan 0.000 0.466 1328 F N 2.521 122.570 119.950 0.165 0.000 2.569 1328 F HA 0.677 5.206 4.527 0.003 0.000 0.312 1328 F C -0.458 175.550 175.800 0.346 0.000 1.109 1328 F CA -0.913 57.230 58.000 0.239 0.000 0.919 1328 F CB 1.679 40.770 39.000 0.151 0.000 1.211 1328 F HN 0.719 nan 8.300 nan 0.000 0.446 1329 Y N -0.144 120.305 120.300 0.249 0.000 2.741 1329 Y HA 0.481 5.032 4.550 0.003 0.000 0.339 1329 Y C -1.869 174.098 175.900 0.113 0.000 1.226 1329 Y CA -1.517 56.667 58.100 0.140 0.000 1.072 1329 Y CB 1.246 39.757 38.460 0.085 0.000 1.331 1329 Y HN 0.478 nan 8.280 nan 0.000 0.453 1330 N N 1.321 119.996 118.700 -0.042 0.000 2.400 1330 N HA 0.695 5.436 4.740 0.003 0.000 0.288 1330 N C -0.924 174.479 175.510 -0.178 0.000 1.024 1330 N CA -0.483 52.484 53.050 -0.139 0.000 0.894 1330 N CB 2.245 40.716 38.487 -0.027 0.000 1.173 1330 N HN 0.858 nan 8.380 nan 0.000 0.487 1331 A N 1.405 124.095 122.820 -0.217 0.000 2.464 1331 A HA 0.756 5.078 4.320 0.003 0.000 0.268 1331 A C -0.903 176.641 177.584 -0.068 0.000 1.244 1331 A CA -0.213 51.740 52.037 -0.141 0.000 0.871 1331 A CB 1.838 20.715 19.000 -0.205 0.000 1.400 1331 A HN 0.669 nan 8.150 nan 0.000 0.455 1332 Q N -1.000 118.777 119.800 -0.037 0.000 3.044 1332 Q HA 0.435 4.777 4.340 0.003 0.000 0.299 1332 Q C -2.457 173.537 176.000 -0.010 0.000 0.896 1332 Q CA -0.412 55.377 55.803 -0.024 0.000 0.802 1332 Q CB -0.090 28.637 28.738 -0.018 0.000 1.649 1332 Q HN 0.832 nan 8.270 nan 0.000 0.483 1340 c N 4.318 122.940 118.600 0.036 0.000 3.191 1340 c HA -0.065 4.506 4.570 0.003 0.000 0.304 1340 c C 0.336 174.456 174.090 0.051 0.000 0.921 1340 c CA 0.721 57.081 56.329 0.052 0.000 2.626 1340 c CB -2.471 40.068 42.510 0.048 0.000 1.508 1340 c HN 1.964 nan 8.230 nan 0.000 0.475 1341 N N 2.909 121.637 118.700 0.046 0.000 3.124 1341 N HA 0.615 5.356 4.740 0.003 0.000 0.350 1341 N C 0.773 176.292 175.510 0.015 0.000 1.411 1341 N CA 0.232 53.285 53.050 0.005 0.000 0.729 1341 N CB 0.260 38.729 38.487 -0.031 0.000 1.379 1341 N HN 0.505 nan 8.380 nan 0.000 0.599 1342 K N -1.095 119.228 120.400 -0.128 0.000 7.382 1342 K HA -0.209 4.113 4.320 0.003 0.000 0.476 1342 K C -0.600 175.686 176.600 -0.523 0.000 0.371 1342 K CA 1.878 57.963 56.287 -0.336 0.000 1.942 1342 K CB -1.596 30.870 32.500 -0.057 0.000 0.717 1342 K HN 0.609 nan 8.250 nan 0.000 0.835 1343 F N 0.486 120.418 119.950 -0.030 0.000 2.540 1343 F HA 0.386 4.915 4.527 0.003 0.000 0.317 1343 F C 0.795 176.652 175.800 0.095 0.000 1.104 1343 F CA -0.809 57.218 58.000 0.046 0.000 0.913 1343 F CB 1.582 40.637 39.000 0.092 0.000 1.170 1343 F HN -0.002 nan 8.300 nan 0.000 0.450 1344 H N 2.565 121.730 119.070 0.158 0.000 2.652 1344 H HA 0.525 5.083 4.556 0.003 0.000 0.349 1344 H C -1.092 174.306 175.328 0.116 0.000 1.099 1344 H CA -0.548 55.559 56.048 0.097 0.000 1.417 1344 H CB 1.427 31.223 29.762 0.056 0.000 1.457 1344 H HN 0.478 nan 8.280 nan 0.000 0.568 1345 L N 4.806 126.096 121.223 0.112 0.000 2.666 1345 L HA 0.263 4.605 4.340 0.003 0.000 0.258 1345 L C -1.643 175.194 176.870 -0.055 0.000 0.991 1345 L CA -0.600 54.254 54.840 0.023 0.000 0.916 1345 L CB 0.894 42.965 42.059 0.021 0.000 1.199 1345 L HN 0.561 nan 8.230 nan 0.000 0.439 1346 N N 2.574 121.223 118.700 -0.086 0.000 2.515 1346 N HA 0.750 5.492 4.740 0.003 0.000 0.279 1346 N C -1.113 174.344 175.510 -0.087 0.000 1.164 1346 N CA -0.273 52.723 53.050 -0.090 0.000 0.982 1346 N CB 2.229 40.656 38.487 -0.100 0.000 1.170 1346 N HN 0.347 nan 8.380 nan 0.000 0.474 1347 V N 0.536 120.403 119.914 -0.079 0.000 2.612 1347 V HA 0.512 4.634 4.120 0.003 0.000 0.301 1347 V C -0.534 175.509 176.094 -0.085 0.000 1.059 1347 V CA -0.695 61.535 62.300 -0.116 0.000 0.886 1347 V CB 1.489 33.227 31.823 -0.140 0.000 1.007 1347 V HN 0.872 nan 8.190 nan 0.000 0.426 1348 S N 3.864 119.490 115.700 -0.125 0.000 2.671 1348 S HA 0.952 5.423 4.470 0.003 0.000 0.299 1348 S C -1.052 173.475 174.600 -0.123 0.000 1.116 1348 S CA -0.834 57.317 58.200 -0.082 0.000 0.912 1348 S CB 2.357 65.515 63.200 -0.070 0.000 1.130 1348 S HN 1.429 nan 8.310 nan 0.000 0.501 1349 V N 1.082 120.959 119.914 -0.062 0.000 2.966 1349 V HA 0.768 4.889 4.120 0.003 0.000 0.288 1349 V C -2.464 173.617 176.094 -0.023 0.000 1.380 1349 V CA -0.106 62.158 62.300 -0.060 0.000 0.966 1349 V CB 1.629 33.456 31.823 0.006 0.000 1.115 1349 V HN 1.532 nan 8.190 nan 0.000 0.436 1350 E N 3.167 123.351 120.200 -0.027 0.000 2.382 1350 E HA 0.353 4.705 4.350 0.003 0.000 0.280 1350 E C -1.421 175.181 176.600 0.004 0.000 1.161 1350 E CA -0.789 55.606 56.400 -0.009 0.000 0.905 1350 E CB -0.015 29.677 29.700 -0.015 0.000 1.268 1350 E HN 0.694 nan 8.360 nan 0.000 0.426 1351 N N 0.829 119.539 118.700 0.016 0.000 2.381 1351 N HA 0.537 5.279 4.740 0.003 0.000 0.241 1351 N C -0.100 175.436 175.510 0.043 0.000 1.279 1351 N CA 0.011 53.086 53.050 0.041 0.000 0.896 1351 N CB 0.392 38.895 38.487 0.027 0.000 1.118 1351 N HN 0.554 nan 8.380 nan 0.000 0.438 1352 I N -0.915 119.703 120.570 0.081 0.000 2.775 1352 I HA 0.131 4.302 4.170 0.003 0.000 0.295 1352 I C -1.153 175.065 176.117 0.168 0.000 1.287 1352 I CA -0.805 60.550 61.300 0.091 0.000 1.029 1352 I CB 1.940 39.977 38.000 0.062 0.000 1.282 1352 I HN 0.464 nan 8.210 nan 0.000 0.426 1353 H N 5.104 124.192 119.070 0.029 0.000 2.562 1353 H HA 0.686 5.244 4.556 0.003 0.000 0.314 1353 H C -1.202 174.145 175.328 0.032 0.000 1.079 1353 H CA 0.133 56.200 56.048 0.032 0.000 1.349 1353 H CB 1.411 31.186 29.762 0.022 0.000 1.432 1353 H HN 0.509 nan 8.280 nan 0.000 0.479 1361 G N 0.962 109.790 108.800 0.046 0.000 2.348 1361 G HA2 0.410 4.372 3.960 0.003 0.000 0.606 1361 G HA3 0.410 4.372 3.960 0.003 0.000 0.606 1361 G C -1.696 173.317 174.900 0.189 0.000 1.466 1361 G CA -0.275 44.916 45.100 0.151 0.000 0.950 1361 G HN 0.388 nan 8.290 nan 0.000 0.657 1362 A N 0.556 123.536 122.820 0.267 0.000 2.612 1362 A HA 1.110 5.431 4.320 0.003 0.000 0.293 1362 A C -0.560 177.175 177.584 0.251 0.000 1.075 1362 A CA 0.038 52.237 52.037 0.271 0.000 0.680 1362 A CB 1.615 20.731 19.000 0.193 0.000 1.279 1362 A HN 2.511 nan 8.150 nan 0.000 0.411 1363 L N -1.401 119.951 121.223 0.216 0.000 2.671 1363 L HA 0.934 5.276 4.340 0.003 0.000 0.259 1363 L C -1.333 175.576 176.870 0.064 0.000 1.021 1363 L CA -0.999 53.907 54.840 0.109 0.000 0.871 1363 L CB 1.841 43.937 42.059 0.061 0.000 1.472 1363 L HN 0.745 nan 8.230 nan 0.000 0.410 1364 M N 2.583 122.190 119.600 0.012 0.000 2.238 1364 M HA 0.594 5.076 4.480 0.003 0.000 0.350 1364 M C -1.508 174.722 176.300 -0.117 0.000 1.138 1364 M CA -0.833 54.452 55.300 -0.025 0.000 1.040 1364 M CB 1.468 34.050 32.600 -0.031 0.000 1.639 1364 M HN 0.580 nan 8.290 nan 0.000 0.451 1365 L N 5.193 126.285 121.223 -0.219 0.000 2.307 1365 L HA 0.608 4.950 4.340 0.003 0.000 0.284 1365 L C -1.089 175.530 176.870 -0.419 0.000 1.023 1365 L CA -0.129 54.445 54.840 -0.443 0.000 0.810 1365 L CB 1.147 42.737 42.059 -0.782 0.000 1.231 1365 L HN 0.837 nan 8.230 nan 0.000 0.423 1366 K N 6.060 126.254 120.400 -0.343 0.000 2.471 1366 K HA 0.634 4.956 4.320 0.003 0.000 0.252 1366 K C -1.645 174.813 176.600 -0.238 0.000 0.938 1366 K CA -0.510 55.643 56.287 -0.224 0.000 0.796 1366 K CB 1.441 33.861 32.500 -0.133 0.000 1.161 1366 K HN 0.598 nan 8.250 nan 0.000 0.425 1367 I N 3.562 124.009 120.570 -0.205 0.000 2.436 1367 I HA 0.393 4.565 4.170 0.003 0.000 0.289 1367 I C -0.729 175.329 176.117 -0.098 0.000 1.010 1367 I CA -1.073 60.121 61.300 -0.177 0.000 1.098 1367 I CB 1.845 39.719 38.000 -0.210 0.000 1.266 1367 I HN 0.550 nan 8.210 nan 0.000 0.434 1368 c N 3.809 122.363 118.600 -0.077 0.000 2.455 1368 c HA 0.852 5.424 4.570 0.003 0.000 0.320 1368 c C 0.276 174.366 174.090 -0.000 0.000 1.226 1368 c CA -0.111 56.197 56.329 -0.034 0.000 1.569 1368 c CB 1.832 44.315 42.510 -0.046 0.000 2.200 1368 c HN 0.886 nan 8.230 nan 0.000 0.491 1369 T N 2.674 117.261 114.554 0.055 0.000 2.840 1369 T HA 0.713 5.064 4.350 0.003 0.000 0.317 1369 T C -1.824 173.005 174.700 0.215 0.000 1.401 1369 T CA -0.553 61.633 62.100 0.143 0.000 1.028 1369 T CB 1.368 70.313 68.868 0.129 0.000 1.317 1369 T HN 0.904 nan 8.240 nan 0.000 0.495 1370 R N 2.625 123.320 120.500 0.326 0.000 2.572 1370 R HA 0.334 4.676 4.340 0.003 0.000 0.273 1370 R C -1.838 174.590 176.300 0.213 0.000 1.168 1370 R CA -0.699 55.562 56.100 0.268 0.000 1.021 1370 R CB 0.822 31.227 30.300 0.175 0.000 1.249 1370 R HN 0.704 nan 8.270 nan 0.000 0.423 1371 Y N 3.756 124.031 120.300 -0.042 0.000 2.607 1371 Y HA 0.177 4.728 4.550 0.003 0.000 0.348 1371 Y C -0.366 175.398 175.900 -0.227 0.000 1.261 1371 Y CA 0.721 58.534 58.100 -0.478 0.000 1.480 1371 Y CB 0.655 38.922 38.460 -0.322 0.000 1.358 1371 Y HN 0.575 nan 8.280 nan 0.000 0.630 1372 L N 5.295 126.203 121.223 -0.526 0.000 2.470 1372 L HA 0.381 4.723 4.340 0.003 0.000 0.256 1372 L C 0.071 176.685 176.870 -0.426 0.000 1.357 1372 L CA -0.106 54.560 54.840 -0.291 0.000 0.902 1372 L CB 0.112 42.028 42.059 -0.240 0.000 1.121 1372 L HN 0.872 nan 8.230 nan 0.000 0.507 1373 G N 0.113 108.711 108.800 -0.337 0.000 2.940 1373 G HA2 0.263 4.225 3.960 0.003 0.000 0.164 1373 G HA3 0.263 4.225 3.960 0.003 0.000 0.164 1373 G C 0.174 175.004 174.900 -0.117 0.000 1.326 1373 G CA -0.051 44.931 45.100 -0.196 0.000 1.020 1373 G HN 0.395 nan 8.290 nan 0.000 0.586 1374 E N -1.489 118.618 120.200 -0.156 0.000 2.447 1374 E HA 0.249 4.601 4.350 0.003 0.000 0.195 1374 E C 0.579 176.795 176.600 -0.640 0.000 1.028 1374 E CA 0.129 56.364 56.400 -0.275 0.000 0.876 1374 E CB 0.878 30.484 29.700 -0.157 0.000 0.885 1374 E HN 0.448 nan 8.360 nan 0.000 0.500 1375 V N -2.812 116.785 119.914 -0.528 0.000 3.188 1375 V HA 0.427 4.549 4.120 0.003 0.000 0.305 1375 V C -1.000 174.977 176.094 -0.196 0.000 1.232 1375 V CA -1.486 60.525 62.300 -0.481 0.000 1.043 1375 V CB 1.928 33.614 31.823 -0.230 0.000 1.068 1375 V HN -0.271 nan 8.190 nan 0.000 0.439 1376 D N 2.761 123.136 120.400 -0.042 0.000 2.583 1376 D HA 0.254 4.896 4.640 0.003 0.000 0.232 1376 D C 0.726 176.855 176.300 -0.285 0.000 1.128 1376 D CA 1.205 55.193 54.000 -0.020 0.000 0.859 1376 D CB 0.776 41.583 40.800 0.011 0.000 1.169 1376 D HN 1.083 nan 8.370 nan 0.000 0.481 1377 S N 1.455 116.856 115.700 -0.498 0.000 2.510 1377 S HA 0.210 4.682 4.470 0.003 0.000 0.279 1377 S C 0.306 174.726 174.600 -0.299 0.000 1.284 1377 S CA -0.847 56.837 58.200 -0.859 0.000 1.059 1377 S CB 1.093 63.750 63.200 -0.905 0.000 0.901 1377 S HN 0.391 nan 8.310 nan 0.000 0.491 1378 T N 4.816 119.234 114.554 -0.226 0.000 2.910 1378 T HA 0.270 4.622 4.350 0.003 0.000 0.293 1378 T C 0.607 175.305 174.700 -0.004 0.000 1.015 1378 T CA -0.502 61.558 62.100 -0.068 0.000 1.094 1378 T CB -0.234 68.639 68.868 0.008 0.000 0.968 1378 T HN 0.797 nan 8.240 nan 0.000 0.521 1379 M N 3.885 123.454 119.600 -0.051 0.000 3.740 1379 M HA -0.137 4.344 4.480 0.003 0.000 0.160 1379 M C 0.004 176.298 176.300 -0.010 0.000 1.480 1379 M CA 0.860 56.079 55.300 -0.135 0.000 1.002 1379 M CB -2.442 29.928 32.600 -0.383 0.000 1.322 1379 M HN 0.863 nan 8.290 nan 0.000 0.434 1380 T N 2.800 117.396 114.554 0.070 0.000 2.948 1380 T HA 0.870 5.222 4.350 0.003 0.000 0.285 1380 T C 0.527 175.324 174.700 0.162 0.000 1.019 1380 T CA -0.835 61.352 62.100 0.146 0.000 1.013 1380 T CB 2.412 71.351 68.868 0.118 0.000 1.117 1380 T HN 0.504 nan 8.240 nan 0.000 0.533 1381 I N 1.739 122.401 120.570 0.154 0.000 2.466 1381 I HA 0.361 4.533 4.170 0.003 0.000 0.289 1381 I C -1.070 174.932 176.117 -0.192 0.000 1.026 1381 I CA -0.978 60.352 61.300 0.049 0.000 1.078 1381 I CB 1.801 40.001 38.000 0.333 0.000 1.249 1381 I HN 0.334 nan 8.210 nan 0.000 0.429 1382 I N 5.148 125.579 120.570 -0.231 0.000 2.354 1382 I HA 0.339 4.510 4.170 0.003 0.000 0.292 1382 I C -0.276 175.678 176.117 -0.272 0.000 0.989 1382 I CA -0.210 60.940 61.300 -0.252 0.000 1.188 1382 I CB 1.362 39.274 38.000 -0.148 0.000 1.342 1382 I HN 0.485 nan 8.210 nan 0.000 0.457 1383 D N 7.797 128.016 120.400 -0.303 0.000 2.391 1383 D HA 0.570 5.212 4.640 0.003 0.000 0.245 1383 D C -0.928 175.293 176.300 -0.132 0.000 1.069 1383 D CA -0.271 53.584 54.000 -0.242 0.000 0.831 1383 D CB 1.784 42.376 40.800 -0.347 0.000 1.204 1383 D HN 0.305 nan 8.370 nan 0.000 0.503 1384 I N 1.818 122.359 120.570 -0.048 0.000 2.582 1384 I HA 0.216 4.388 4.170 0.003 0.000 0.292 1384 I C 0.179 176.346 176.117 0.084 0.000 1.066 1384 I CA -0.935 60.386 61.300 0.035 0.000 1.053 1384 I CB 2.140 40.194 38.000 0.090 0.000 1.241 1384 I HN 0.251 nan 8.210 nan 0.000 0.421 1385 S N 6.561 122.347 115.700 0.143 0.000 2.565 1385 S HA 0.651 5.123 4.470 0.003 0.000 0.290 1385 S C -0.428 174.300 174.600 0.213 0.000 1.150 1385 S CA -0.852 57.435 58.200 0.144 0.000 1.058 1385 S CB 1.659 64.929 63.200 0.116 0.000 1.032 1385 S HN 0.460 nan 8.310 nan 0.000 0.510 1386 M N 3.273 122.977 119.600 0.172 0.000 2.188 1386 M HA 0.360 4.842 4.480 0.003 0.000 0.357 1386 M C -0.188 176.197 176.300 0.142 0.000 1.204 1386 M CA -0.599 54.832 55.300 0.218 0.000 1.095 1386 M CB 0.829 33.566 32.600 0.227 0.000 1.604 1386 M HN 0.727 nan 8.290 nan 0.000 0.464 1387 L N 2.094 123.367 121.223 0.082 0.000 2.536 1387 L HA -0.030 4.312 4.340 0.003 0.000 0.294 1387 L C 0.852 177.877 176.870 0.260 0.000 1.257 1387 L CA 0.222 55.067 54.840 0.007 0.000 0.850 1387 L CB -0.472 41.508 42.059 -0.132 0.000 1.105 1387 L HN 0.671 nan 8.230 nan 0.000 0.517 1388 T N 1.237 115.869 114.554 0.129 0.000 2.934 1388 T HA 0.220 4.572 4.350 0.003 0.000 0.306 1388 T C 1.177 176.008 174.700 0.220 0.000 1.042 1388 T CA 0.520 62.693 62.100 0.123 0.000 1.145 1388 T CB 0.704 69.585 68.868 0.021 0.000 0.982 1388 T HN 1.047 nan 8.240 nan 0.000 0.544 1389 G N 1.405 110.314 108.800 0.181 0.000 2.179 1389 G HA2 -0.238 3.724 3.960 0.003 0.000 0.257 1389 G HA3 -0.238 3.724 3.960 0.003 0.000 0.257 1389 G C -0.111 174.809 174.900 0.034 0.000 1.010 1389 G CA -0.219 45.018 45.100 0.228 0.000 0.736 1389 G HN 0.598 nan 8.290 nan 0.000 0.513 1390 F N -0.731 119.319 119.950 0.166 0.000 2.522 1390 F HA 0.823 5.352 4.527 0.003 0.000 0.324 1390 F C 0.540 176.409 175.800 0.115 0.000 1.077 1390 F CA -0.957 57.133 58.000 0.149 0.000 0.944 1390 F CB 1.774 40.864 39.000 0.149 0.000 1.175 1390 F HN -0.016 nan 8.300 nan 0.000 0.468 1391 L N 3.088 124.501 121.223 0.317 0.000 2.409 1391 L HA 0.529 4.870 4.340 0.003 0.000 0.262 1391 L C -2.700 174.254 176.870 0.140 0.000 0.992 1391 L CA -2.275 52.665 54.840 0.167 0.000 0.817 1391 L CB 2.673 44.783 42.059 0.085 0.000 1.350 1391 L HN 0.301 nan 8.230 nan 0.000 0.411 1392 P HA 0.009 nan 4.420 nan 0.000 0.271 1392 P C -1.053 176.178 177.300 -0.115 0.000 1.216 1392 P CA -0.253 62.750 63.100 -0.162 0.000 0.776 1392 P CB 0.505 31.902 31.700 -0.505 0.000 0.881 1393 D N 3.186 123.553 120.400 -0.056 0.000 2.349 1393 D HA 0.014 4.656 4.640 0.003 0.000 0.266 1393 D C 1.260 177.533 176.300 -0.045 0.000 1.293 1393 D CA 0.096 54.096 54.000 0.001 0.000 0.926 1393 D CB 0.831 41.674 40.800 0.072 0.000 1.090 1393 D HN 0.297 nan 8.370 nan 0.000 0.502 1394 A N 5.116 127.933 122.820 -0.005 0.000 1.894 1394 A HA -0.308 4.014 4.320 0.003 0.000 0.220 1394 A C 1.963 179.578 177.584 0.052 0.000 1.237 1394 A CA 2.218 54.286 52.037 0.051 0.000 0.660 1394 A CB -0.670 18.384 19.000 0.089 0.000 0.835 1394 A HN 0.840 nan 8.150 nan 0.000 0.461 1395 E N -0.448 119.779 120.200 0.044 0.000 2.026 1395 E HA -0.328 4.024 4.350 0.003 0.000 0.206 1395 E C 1.674 178.298 176.600 0.039 0.000 1.028 1395 E CA 1.915 58.342 56.400 0.045 0.000 0.845 1395 E CB -0.407 29.321 29.700 0.047 0.000 0.772 1395 E HN 0.536 nan 8.360 nan 0.000 0.462 1396 D N 0.122 120.547 120.400 0.043 0.000 2.116 1396 D HA -0.186 4.456 4.640 0.003 0.000 0.193 1396 D C 1.934 178.231 176.300 -0.005 0.000 0.998 1396 D CA 1.024 55.056 54.000 0.052 0.000 0.836 1396 D CB -0.351 40.523 40.800 0.123 0.000 0.951 1396 D HN 0.155 nan 8.370 nan 0.000 0.449 1397 L N 0.557 121.725 121.223 -0.092 0.000 2.042 1397 L HA -0.174 4.168 4.340 0.003 0.000 0.210 1397 L C 2.220 179.069 176.870 -0.034 0.000 1.076 1397 L CA 1.785 56.513 54.840 -0.186 0.000 0.749 1397 L CB -1.054 40.766 42.059 -0.398 0.000 0.893 1397 L HN 0.074 nan 8.230 nan 0.000 0.432 1398 T N -1.104 113.480 114.554 0.051 0.000 2.746 1398 T HA -0.246 4.106 4.350 0.003 0.000 0.267 1398 T C 2.010 176.730 174.700 0.032 0.000 1.039 1398 T CA 1.483 63.629 62.100 0.077 0.000 1.142 1398 T CB -0.321 68.589 68.868 0.070 0.000 0.866 1398 T HN 0.316 nan 8.240 nan 0.000 0.444 1399 R N 0.648 121.162 120.500 0.023 0.000 2.127 1399 R HA -0.029 4.313 4.340 0.003 0.000 0.238 1399 R C 2.186 178.488 176.300 0.003 0.000 1.134 1399 R CA 1.046 57.157 56.100 0.018 0.000 0.975 1399 R CB -0.360 29.957 30.300 0.028 0.000 0.865 1399 R HN 0.414 nan 8.270 nan 0.000 0.447 1400 L N -0.176 121.043 121.223 -0.008 0.000 2.095 1400 L HA -0.070 4.272 4.340 0.003 0.000 0.204 1400 L C 2.628 179.505 176.870 0.012 0.000 1.080 1400 L CA 1.119 55.952 54.840 -0.010 0.000 0.759 1400 L CB -0.612 41.439 42.059 -0.013 0.000 0.914 1400 L HN 0.261 nan 8.230 nan 0.000 0.439 1401 S N -0.104 115.605 115.700 0.015 0.000 2.402 1401 S HA -0.148 4.324 4.470 0.003 0.000 0.233 1401 S C 1.085 175.696 174.600 0.019 0.000 1.030 1401 S CA 0.840 59.051 58.200 0.018 0.000 1.003 1401 S CB -0.413 62.800 63.200 0.022 0.000 0.813 1401 S HN 0.148 nan 8.310 nan 0.000 0.477 1402 K N 2.916 123.327 120.400 0.018 0.000 2.361 1402 K HA 0.497 4.819 4.320 0.003 0.000 0.283 1402 K C 0.307 176.926 176.600 0.032 0.000 1.078 1402 K CA 0.661 56.960 56.287 0.020 0.000 1.041 1402 K CB -0.283 32.227 32.500 0.017 0.000 0.932 1402 K HN 0.534 nan 8.250 nan 0.000 0.462 1403 G N -0.260 108.566 108.800 0.043 0.000 2.596 1403 G HA2 0.204 4.166 3.960 0.003 0.000 0.296 1403 G HA3 0.204 4.166 3.960 0.003 0.000 0.296 1403 G C -0.223 174.716 174.900 0.064 0.000 1.513 1403 G CA -0.873 44.258 45.100 0.052 0.000 0.851 1403 G HN 0.097 nan 8.290 nan 0.000 0.548 1404 V N 0.457 120.402 119.914 0.052 0.000 3.490 1404 V HA 0.196 4.318 4.120 0.003 0.000 0.315 1404 V C 0.920 177.046 176.094 0.053 0.000 1.284 1404 V CA 1.136 63.467 62.300 0.051 0.000 1.233 1404 V CB -0.645 31.198 31.823 0.034 0.000 1.101 1404 V HN 0.831 nan 8.190 nan 0.000 0.425 1405 D N -0.758 119.682 120.400 0.067 0.000 2.368 1405 D HA 0.106 4.747 4.640 0.003 0.000 0.305 1405 D C 0.552 176.909 176.300 0.094 0.000 1.143 1405 D CA -0.252 53.787 54.000 0.065 0.000 0.847 1405 D CB 0.573 41.400 40.800 0.046 0.000 1.357 1405 D HN 0.407 nan 8.370 nan 0.000 0.526 1406 R N -0.179 120.393 120.500 0.120 0.000 2.564 1406 R HA 0.553 4.895 4.340 0.003 0.000 0.284 1406 R C -1.971 174.460 176.300 0.219 0.000 1.031 1406 R CA -0.693 55.501 56.100 0.156 0.000 0.904 1406 R CB 2.278 32.636 30.300 0.098 0.000 1.199 1406 R HN 0.098 nan 8.270 nan 0.000 0.443 1407 Y N 3.737 124.121 120.300 0.141 0.000 2.457 1407 Y HA 0.603 5.155 4.550 0.003 0.000 0.343 1407 Y C -1.428 174.608 175.900 0.227 0.000 0.994 1407 Y CA -1.132 57.060 58.100 0.154 0.000 1.031 1407 Y CB 1.496 40.037 38.460 0.135 0.000 1.246 1407 Y HN 0.391 nan 8.280 nan 0.000 0.449 1408 I N 4.593 125.037 120.570 -0.210 0.000 2.499 1408 I HA 0.241 4.412 4.170 0.003 0.000 0.288 1408 I C -0.139 175.831 176.117 -0.245 0.000 1.048 1408 I CA -0.695 60.592 61.300 -0.021 0.000 1.062 1408 I CB 1.672 39.685 38.000 0.021 0.000 1.238 1408 I HN 0.671 nan 8.210 nan 0.000 0.426 1409 S N 4.546 120.316 115.700 0.117 0.000 2.558 1409 S HA 0.095 4.567 4.470 0.003 0.000 0.287 1409 S C 0.534 175.188 174.600 0.091 0.000 1.321 1409 S CA -0.175 58.104 58.200 0.132 0.000 1.048 1409 S CB 0.294 63.639 63.200 0.241 0.000 0.844 1409 S HN 0.456 nan 8.310 nan 0.000 0.512 1410 R N 1.446 121.948 120.500 0.003 0.000 2.756 1410 R HA 0.196 4.537 4.340 0.003 0.000 0.264 1410 R C -0.829 175.492 176.300 0.034 0.000 1.026 1410 R CA 0.555 56.605 56.100 -0.084 0.000 1.121 1410 R CB -0.182 30.054 30.300 -0.107 0.000 0.999 1410 R HN 0.646 nan 8.270 nan 0.000 0.449 1411 Y N -0.697 119.568 120.300 -0.057 0.000 2.436 1411 Y HA 0.413 4.965 4.550 0.003 0.000 0.327 1411 Y C -1.022 174.848 175.900 -0.050 0.000 1.138 1411 Y CA -1.296 56.774 58.100 -0.051 0.000 1.042 1411 Y CB 0.921 39.345 38.460 -0.061 0.000 1.302 1411 Y HN 0.422 nan 8.280 nan 0.000 0.439 1412 E N 2.259 122.516 120.200 0.094 0.000 2.415 1412 E HA 0.328 4.679 4.350 0.003 0.000 0.262 1412 E C -0.896 175.767 176.600 0.105 0.000 1.038 1412 E CA -0.170 56.251 56.400 0.035 0.000 0.921 1412 E CB 2.022 31.731 29.700 0.015 0.000 0.950 1412 E HN 0.554 nan 8.360 nan 0.000 0.438 1413 V N 2.752 122.691 119.914 0.042 0.000 2.588 1413 V HA 0.272 4.394 4.120 0.003 0.000 0.304 1413 V C -0.698 175.413 176.094 0.029 0.000 1.042 1413 V CA -0.679 61.659 62.300 0.064 0.000 0.877 1413 V CB 2.185 34.042 31.823 0.057 0.000 0.996 1413 V HN 0.596 nan 8.190 nan 0.000 0.425 1414 D N 3.185 123.605 120.400 0.033 0.000 2.990 1414 D HA 0.348 4.990 4.640 0.003 0.000 0.227 1414 D C -0.112 176.206 176.300 0.030 0.000 1.249 1414 D CA -0.491 53.523 54.000 0.023 0.000 0.891 1414 D CB 1.257 42.067 40.800 0.016 0.000 1.647 1414 D HN 0.520 nan 8.370 nan 0.000 0.530 1415 N N 2.971 121.688 118.700 0.028 0.000 2.699 1415 N HA -0.294 4.448 4.740 0.003 0.000 0.256 1415 N C -0.175 175.357 175.510 0.037 0.000 0.993 1415 N CA 0.913 53.982 53.050 0.032 0.000 0.759 1415 N CB -0.850 37.660 38.487 0.038 0.000 0.906 1415 N HN 0.605 nan 8.380 nan 0.000 0.541 1416 N N -1.657 117.066 118.700 0.037 0.000 2.753 1416 N HA -0.239 4.503 4.740 0.003 0.000 0.251 1416 N C -1.104 174.434 175.510 0.046 0.000 1.097 1416 N CA 1.848 54.923 53.050 0.042 0.000 0.786 1416 N CB -0.774 37.737 38.487 0.039 0.000 1.137 1416 N HN 0.646 nan 8.380 nan 0.000 0.566 1417 M N 0.100 119.728 119.600 0.046 0.000 2.456 1417 M HA 0.623 5.105 4.480 0.003 0.000 0.324 1417 M C 0.292 176.616 176.300 0.039 0.000 1.124 1417 M CA -0.655 54.668 55.300 0.039 0.000 0.959 1417 M CB 2.123 34.749 32.600 0.044 0.000 1.692 1417 M HN 0.147 nan 8.290 nan 0.000 0.444 1418 A N 1.822 124.641 122.820 -0.001 0.000 2.331 1418 A HA 0.382 4.704 4.320 0.003 0.000 0.283 1418 A C 0.441 178.014 177.584 -0.018 0.000 1.142 1418 A CA -0.562 51.476 52.037 0.002 0.000 0.812 1418 A CB 0.572 19.413 19.000 -0.264 0.000 1.074 1418 A HN 0.840 nan 8.150 nan 0.000 0.497 1419 Q N 1.138 120.953 119.800 0.026 0.000 2.322 1419 Q HA 0.047 4.389 4.340 0.003 0.000 0.203 1419 Q C -0.240 175.740 176.000 -0.033 0.000 0.923 1419 Q CA 0.437 56.231 55.803 -0.016 0.000 0.949 1419 Q CB -0.026 28.699 28.738 -0.021 0.000 1.039 1419 Q HN 0.502 nan 8.270 nan 0.000 0.496 1420 K N 0.955 121.327 120.400 -0.047 0.000 2.350 1420 K HA 0.128 4.450 4.320 0.003 0.000 0.279 1420 K C 0.945 177.531 176.600 -0.024 0.000 1.027 1420 K CA -0.052 56.207 56.287 -0.047 0.000 0.969 1420 K CB 1.619 34.061 32.500 -0.097 0.000 0.954 1420 K HN -0.150 nan 8.250 nan 0.000 0.474 1421 V N 0.729 120.648 119.914 0.008 0.000 3.644 1421 V HA 0.108 4.230 4.120 0.003 0.000 0.267 1421 V C 0.524 176.654 176.094 0.059 0.000 1.277 1421 V CA 0.244 62.578 62.300 0.055 0.000 1.096 1421 V CB 0.261 32.141 31.823 0.094 0.000 0.828 1421 V HN 0.728 nan 8.190 nan 0.000 0.446 1422 A N 0.316 123.155 122.820 0.032 0.000 2.410 1422 A HA 0.702 5.023 4.320 0.003 0.000 0.289 1422 A C -1.084 176.503 177.584 0.004 0.000 1.200 1422 A CA -0.292 51.765 52.037 0.034 0.000 0.751 1422 A CB 1.662 20.687 19.000 0.042 0.000 1.161 1422 A HN 0.017 nan 8.150 nan 0.000 0.459 1423 V N 5.998 125.905 119.914 -0.011 0.000 2.370 1423 V HA 0.515 4.636 4.120 0.003 0.000 0.279 1423 V C -0.293 175.774 176.094 -0.046 0.000 1.029 1423 V CA -0.658 61.609 62.300 -0.056 0.000 0.870 1423 V CB 1.107 32.843 31.823 -0.144 0.000 0.984 1423 V HN 0.783 nan 8.190 nan 0.000 0.451 1424 I N 6.063 126.608 120.570 -0.042 0.000 2.498 1424 I HA 0.607 4.779 4.170 0.003 0.000 0.301 1424 I C -0.638 175.395 176.117 -0.140 0.000 0.984 1424 I CA -0.776 60.441 61.300 -0.139 0.000 1.204 1424 I CB 1.621 39.520 38.000 -0.167 0.000 1.362 1424 I HN 0.433 nan 8.210 nan 0.000 0.471 1425 I N 6.183 126.588 120.570 -0.275 0.000 2.517 1425 I HA 0.258 4.429 4.170 0.003 0.000 0.280 1425 I C -1.406 174.641 176.117 -0.116 0.000 1.061 1425 I CA -0.388 60.861 61.300 -0.085 0.000 1.091 1425 I CB 1.412 39.393 38.000 -0.031 0.000 1.205 1425 I HN 0.525 nan 8.210 nan 0.000 0.459 1426 Y N 6.591 127.015 120.300 0.206 0.000 2.367 1426 Y HA 0.455 5.007 4.550 0.003 0.000 0.342 1426 Y C 0.284 176.276 175.900 0.153 0.000 0.979 1426 Y CA -0.896 57.329 58.100 0.208 0.000 1.161 1426 Y CB 0.964 39.569 38.460 0.241 0.000 1.155 1426 Y HN 0.297 nan 8.280 nan 0.000 0.503 1427 L N -0.005 121.342 121.223 0.207 0.000 2.319 1427 L HA 0.587 4.928 4.340 0.003 0.000 0.267 1427 L C -0.009 176.906 176.870 0.076 0.000 1.011 1427 L CA -1.027 53.892 54.840 0.131 0.000 0.818 1427 L CB 1.329 43.441 42.059 0.089 0.000 1.316 1427 L HN 0.455 nan 8.230 nan 0.000 0.432 1428 N N 0.598 119.326 118.700 0.047 0.000 2.376 1428 N HA -0.035 4.707 4.740 0.003 0.000 0.177 1428 N C -0.235 175.270 175.510 -0.008 0.000 1.024 1428 N CA 0.825 53.876 53.050 0.001 0.000 0.893 1428 N CB 0.177 38.665 38.487 0.003 0.000 0.980 1428 N HN 0.696 nan 8.380 nan 0.000 0.439 1429 K N -2.060 118.349 120.400 0.015 0.000 2.615 1429 K HA 0.610 4.931 4.320 0.003 0.000 0.291 1429 K C -1.481 175.146 176.600 0.044 0.000 1.017 1429 K CA -0.838 55.454 56.287 0.009 0.000 0.882 1429 K CB 1.606 34.101 32.500 -0.009 0.000 1.522 1429 K HN -0.271 nan 8.250 nan 0.000 0.412 1430 V N 0.722 120.667 119.914 0.052 0.000 2.655 1430 V HA 0.409 4.531 4.120 0.003 0.000 0.301 1430 V C -0.612 175.555 176.094 0.120 0.000 1.082 1430 V CA -0.924 61.445 62.300 0.114 0.000 0.899 1430 V CB 2.062 34.019 31.823 0.224 0.000 1.014 1430 V HN 0.854 nan 8.190 nan 0.000 0.429 1431 S N 2.902 118.669 115.700 0.113 0.000 2.566 1431 S HA 0.080 4.552 4.470 0.003 0.000 0.280 1431 S C 1.046 175.748 174.600 0.170 0.000 1.343 1431 S CA -0.045 58.223 58.200 0.114 0.000 1.036 1431 S CB 0.062 63.279 63.200 0.030 0.000 0.866 1431 S HN 1.009 nan 8.310 nan 0.000 0.526 1432 H N -0.002 119.115 119.070 0.079 0.000 2.549 1432 H HA 0.350 4.908 4.556 0.003 0.000 0.279 1432 H C 0.589 175.936 175.328 0.033 0.000 1.018 1432 H CA 0.140 56.232 56.048 0.073 0.000 1.175 1432 H CB -0.156 29.657 29.762 0.086 0.000 1.485 1432 H HN 0.387 nan 8.280 nan 0.000 0.543 1433 S N 0.424 115.863 115.700 -0.435 0.000 2.612 1433 S HA 0.120 4.592 4.470 0.003 0.000 0.193 1433 S C -0.001 174.503 174.600 -0.161 0.000 0.898 1433 S CA -0.085 57.853 58.200 -0.437 0.000 0.872 1433 S CB 0.386 63.361 63.200 -0.376 0.000 0.843 1433 S HN 0.264 nan 8.310 nan 0.000 0.611 1434 E N 2.057 122.209 120.200 -0.081 0.000 2.191 1434 E HA 0.389 4.741 4.350 0.003 0.000 0.274 1434 E C -1.484 175.128 176.600 0.020 0.000 0.948 1434 E CA -0.594 55.793 56.400 -0.022 0.000 0.802 1434 E CB 0.387 30.078 29.700 -0.015 0.000 1.137 1434 E HN 0.094 nan 8.360 nan 0.000 0.397 1435 D N 2.875 123.298 120.400 0.039 0.000 2.518 1435 D HA -0.077 4.565 4.640 0.003 0.000 0.270 1435 D C -0.355 175.972 176.300 0.046 0.000 1.338 1435 D CA 0.692 54.727 54.000 0.058 0.000 0.983 1435 D CB 0.159 40.984 40.800 0.042 0.000 1.126 1435 D HN 0.317 nan 8.370 nan 0.000 0.543 1436 E N 1.216 121.453 120.200 0.062 0.000 2.316 1436 E HA 0.245 4.597 4.350 0.003 0.000 0.275 1436 E C -0.565 176.059 176.600 0.040 0.000 1.029 1436 E CA -0.119 56.312 56.400 0.052 0.000 0.871 1436 E CB 1.375 31.115 29.700 0.067 0.000 1.022 1436 E HN 0.358 nan 8.360 nan 0.000 0.418 1437 c N 4.366 122.983 118.600 0.027 0.000 2.888 1437 c HA 0.656 5.228 4.570 0.003 0.000 0.308 1437 c C -1.474 172.624 174.090 0.014 0.000 1.213 1437 c CA -0.643 55.695 56.329 0.015 0.000 1.461 1437 c CB 1.107 43.628 42.510 0.018 0.000 1.934 1437 c HN 0.655 nan 8.230 nan 0.000 0.474 1438 L N 2.523 123.739 121.223 -0.012 0.000 2.510 1438 L HA 0.896 5.238 4.340 0.003 0.000 0.252 1438 L C -1.245 175.593 176.870 -0.054 0.000 1.091 1438 L CA -0.542 54.267 54.840 -0.052 0.000 0.888 1438 L CB 1.085 43.095 42.059 -0.082 0.000 1.507 1438 L HN 1.019 nan 8.230 nan 0.000 0.407 1439 H N -0.795 118.231 119.070 -0.073 0.000 3.094 1439 H HA 0.808 5.365 4.556 0.003 0.000 0.346 1439 H C -1.539 173.775 175.328 -0.023 0.000 1.238 1439 H CA -0.873 55.084 56.048 -0.152 0.000 1.209 1439 H CB 1.242 30.945 29.762 -0.098 0.000 1.911 1439 H HN 0.909 nan 8.280 nan 0.000 0.540 1440 F N -1.179 118.818 119.950 0.079 0.000 2.668 1440 F HA 0.627 5.155 4.527 0.003 0.000 0.309 1440 F C -1.474 174.360 175.800 0.056 0.000 1.117 1440 F CA -1.407 56.629 58.000 0.059 0.000 0.951 1440 F CB 1.425 40.401 39.000 -0.041 0.000 1.323 1440 F HN 0.593 nan 8.300 nan 0.000 0.451 1441 K N 2.865 123.509 120.400 0.407 0.000 2.218 1441 K HA 0.631 4.953 4.320 0.003 0.000 0.276 1441 K C -0.649 176.161 176.600 0.349 0.000 1.022 1441 K CA -0.572 55.882 56.287 0.279 0.000 0.946 1441 K CB 1.746 34.359 32.500 0.188 0.000 1.000 1441 K HN 0.821 nan 8.250 nan 0.000 0.468 1442 I N 1.559 122.298 120.570 0.281 0.000 2.545 1442 I HA 0.387 4.558 4.170 0.003 0.000 0.292 1442 I C -1.657 174.691 176.117 0.385 0.000 1.040 1442 I CA -1.114 60.378 61.300 0.319 0.000 1.068 1442 I CB 1.163 39.338 38.000 0.291 0.000 1.251 1442 I HN 0.271 nan 8.210 nan 0.000 0.424 1443 L N 5.093 126.574 121.223 0.430 0.000 2.301 1443 L HA 0.629 4.971 4.340 0.003 0.000 0.264 1443 L C -0.250 176.754 176.870 0.224 0.000 1.016 1443 L CA -0.855 54.184 54.840 0.331 0.000 0.821 1443 L CB 1.182 43.346 42.059 0.176 0.000 1.346 1443 L HN 0.676 nan 8.230 nan 0.000 0.429 1444 K N -0.276 120.094 120.400 -0.051 0.000 2.118 1444 K HA 0.372 4.694 4.320 0.003 0.000 0.254 1444 K C 0.533 177.071 176.600 -0.103 0.000 0.961 1444 K CA -0.386 55.655 56.287 -0.410 0.000 0.876 1444 K CB 1.257 33.464 32.500 -0.488 0.000 1.077 1444 K HN 0.785 nan 8.250 nan 0.000 0.440 1445 H N 2.416 121.377 119.070 -0.181 0.000 2.356 1445 H HA 0.157 4.715 4.556 0.003 0.000 0.306 1445 H C -0.629 174.733 175.328 0.056 0.000 1.142 1445 H CA 0.160 56.200 56.048 -0.013 0.000 1.673 1445 H CB 0.039 29.833 29.762 0.053 0.000 1.505 1445 H HN 0.409 nan 8.280 nan 0.000 0.638 1446 F N 1.933 121.026 119.950 -1.428 0.000 2.482 1446 F HA 0.239 4.768 4.527 0.003 0.000 0.331 1446 F C 1.093 176.619 175.800 -0.457 0.000 1.115 1446 F CA -0.913 56.575 58.000 -0.854 0.000 0.955 1446 F CB 1.977 40.458 39.000 -0.865 0.000 1.136 1446 F HN 0.267 nan 8.300 nan 0.000 0.452 1447 E N 3.212 123.016 120.200 -0.660 0.000 2.533 1447 E HA 0.003 4.354 4.350 0.003 0.000 0.203 1447 E C -0.127 176.371 176.600 -0.170 0.000 1.101 1447 E CA 0.196 56.370 56.400 -0.377 0.000 0.894 1447 E CB -0.482 28.979 29.700 -0.398 0.000 0.843 1447 E HN 0.362 nan 8.360 nan 0.000 0.552 1448 V N -0.328 119.591 119.914 0.009 0.000 2.975 1448 V HA 0.088 4.210 4.120 0.003 0.000 0.300 1448 V C 1.550 177.679 176.094 0.059 0.000 1.186 1448 V CA 0.209 62.616 62.300 0.179 0.000 1.311 1448 V CB -0.693 31.288 31.823 0.263 0.000 0.917 1448 V HN 0.445 nan 8.190 nan 0.000 0.512 1449 G N 2.940 111.778 108.800 0.064 0.000 2.522 1449 G HA2 -0.298 3.664 3.960 0.003 0.000 0.436 1449 G HA3 -0.298 3.664 3.960 0.003 0.000 0.436 1449 G C -0.242 174.756 174.900 0.163 0.000 1.353 1449 G CA 0.551 45.691 45.100 0.067 0.000 0.917 1449 G HN 1.444 nan 8.290 nan 0.000 0.527 1450 F N 0.540 120.496 119.950 0.011 0.000 2.595 1450 F HA 0.328 4.857 4.527 0.003 0.000 0.359 1450 F C 0.891 176.736 175.800 0.075 0.000 1.147 1450 F CA -1.469 56.570 58.000 0.065 0.000 1.341 1450 F CB 0.050 39.116 39.000 0.110 0.000 1.104 1450 F HN 0.351 nan 8.300 nan 0.000 0.603 1451 I N 5.488 126.219 120.570 0.269 0.000 2.306 1451 I HA 0.171 4.343 4.170 0.003 0.000 0.288 1451 I C 0.137 175.695 176.117 -0.932 0.000 1.036 1451 I CA -0.545 60.660 61.300 -0.158 0.000 1.221 1451 I CB 0.175 38.293 38.000 0.198 0.000 1.385 1451 I HN 0.572 nan 8.210 nan 0.000 0.472 1452 Q N 7.643 126.949 119.800 -0.824 0.000 2.274 1452 Q HA 0.180 4.522 4.340 0.003 0.000 0.280 1452 Q C -2.154 173.379 176.000 -0.779 0.000 1.047 1452 Q CA -1.159 54.088 55.803 -0.927 0.000 0.907 1452 Q CB 0.768 29.164 28.738 -0.570 0.000 1.171 1452 Q HN 0.348 nan 8.270 nan 0.000 0.381 1453 P HA -0.052 nan 4.420 nan 0.000 0.270 1453 P C -0.678 176.285 177.300 -0.562 0.000 1.216 1453 P CA 0.187 62.857 63.100 -0.717 0.000 0.788 1453 P CB 0.433 31.753 31.700 -0.635 0.000 0.883 1454 G N -0.444 107.959 108.800 -0.662 0.000 2.448 1454 G HA2 0.542 4.504 3.960 0.003 0.000 0.324 1454 G HA3 0.542 4.504 3.960 0.003 0.000 0.324 1454 G C -0.855 174.171 174.900 0.211 0.000 1.203 1454 G CA -0.420 44.413 45.100 -0.445 0.000 0.954 1454 G HN 0.525 nan 8.290 nan 0.000 0.480 1455 S N -0.513 115.382 115.700 0.325 0.000 2.565 1455 S HA 0.756 5.227 4.470 0.003 0.000 0.290 1455 S C -0.736 173.933 174.600 0.114 0.000 1.150 1455 S CA -0.724 57.567 58.200 0.151 0.000 1.058 1455 S CB 2.001 65.232 63.200 0.053 0.000 1.032 1455 S HN 0.694 nan 8.310 nan 0.000 0.510 1456 V N 2.464 122.343 119.914 -0.059 0.000 2.638 1456 V HA 0.596 4.718 4.120 0.003 0.000 0.306 1456 V C -1.196 174.772 176.094 -0.210 0.000 1.052 1456 V CA -0.672 61.558 62.300 -0.116 0.000 0.885 1456 V CB 2.189 33.937 31.823 -0.125 0.000 0.999 1456 V HN 1.035 nan 8.190 nan 0.000 0.424 1457 K N 4.343 124.587 120.400 -0.260 0.000 2.578 1457 K HA 0.621 4.943 4.320 0.003 0.000 0.250 1457 K C -1.335 174.979 176.600 -0.477 0.000 0.955 1457 K CA -0.518 55.561 56.287 -0.348 0.000 0.825 1457 K CB 2.466 34.736 32.500 -0.383 0.000 1.151 1457 K HN 0.380 nan 8.250 nan 0.000 0.432 1458 V N 4.266 123.932 119.914 -0.413 0.000 2.481 1458 V HA 0.469 4.591 4.120 0.003 0.000 0.286 1458 V C -1.060 174.754 176.094 -0.467 0.000 1.042 1458 V CA -0.325 61.664 62.300 -0.518 0.000 0.928 1458 V CB 0.547 31.992 31.823 -0.630 0.000 0.986 1458 V HN 0.689 nan 8.190 nan 0.000 0.462 1459 Y N 1.837 121.934 120.300 -0.338 0.000 2.436 1459 Y HA 0.632 5.184 4.550 0.003 0.000 0.327 1459 Y C -0.468 175.434 175.900 0.004 0.000 1.138 1459 Y CA -2.020 55.982 58.100 -0.163 0.000 1.042 1459 Y CB 0.831 39.276 38.460 -0.025 0.000 1.302 1459 Y HN 0.456 nan 8.280 nan 0.000 0.439 1460 S N 2.437 118.363 115.700 0.378 0.000 2.584 1460 S HA 0.215 4.687 4.470 0.003 0.000 0.273 1460 S C 0.807 175.596 174.600 0.314 0.000 1.311 1460 S CA -0.210 58.230 58.200 0.401 0.000 1.034 1460 S CB 0.393 63.922 63.200 0.549 0.000 0.939 1460 S HN 0.752 nan 8.310 nan 0.000 0.513 1461 Y N 4.764 125.169 120.300 0.175 0.000 2.053 1461 Y HA -0.222 4.330 4.550 0.003 0.000 0.277 1461 Y C 1.388 177.334 175.900 0.077 0.000 1.159 1461 Y CA 2.067 60.236 58.100 0.115 0.000 1.125 1461 Y CB -1.003 37.394 38.460 -0.105 0.000 0.969 1461 Y HN 0.881 nan 8.280 nan 0.000 0.492 1462 Y N 0.789 120.953 120.300 -0.226 0.000 2.716 1462 Y HA -0.090 4.462 4.550 0.003 0.000 0.302 1462 Y C -0.075 175.736 175.900 -0.148 0.000 1.160 1462 Y CA 1.284 59.203 58.100 -0.301 0.000 1.362 1462 Y CB -0.453 37.962 38.460 -0.074 0.000 0.988 1462 Y HN 0.273 nan 8.280 nan 0.000 0.546 1463 N N -0.460 118.282 118.700 0.071 0.000 2.722 1463 N HA 0.220 4.962 4.740 0.003 0.000 0.242 1463 N C -0.479 175.070 175.510 0.066 0.000 1.398 1463 N CA -0.070 53.040 53.050 0.101 0.000 0.755 1463 N CB 0.412 39.042 38.487 0.237 0.000 1.268 1463 N HN 0.080 nan 8.380 nan 0.000 0.522 1464 L N 0.174 121.360 121.223 -0.060 0.000 2.629 1464 L HA 0.181 4.523 4.340 0.003 0.000 0.230 1464 L C 0.239 177.056 176.870 -0.089 0.000 1.151 1464 L CA 0.495 55.245 54.840 -0.151 0.000 0.924 1464 L CB 0.268 42.199 42.059 -0.213 0.000 1.137 1464 L HN 0.389 nan 8.230 nan 0.000 0.457 1465 D N -0.781 119.616 120.400 -0.005 0.000 2.402 1465 D HA -0.005 4.636 4.640 0.003 0.000 0.216 1465 D C 0.497 176.847 176.300 0.083 0.000 1.128 1465 D CA -0.001 54.016 54.000 0.028 0.000 0.833 1465 D CB 0.240 41.047 40.800 0.013 0.000 0.971 1465 D HN 0.073 nan 8.370 nan 0.000 0.503 1466 E N 2.186 122.469 120.200 0.137 0.000 2.341 1466 E HA -0.053 4.299 4.350 0.003 0.000 0.256 1466 E C 0.416 177.118 176.600 0.171 0.000 1.125 1466 E CA 0.063 56.578 56.400 0.192 0.000 0.939 1466 E CB 0.313 30.185 29.700 0.286 0.000 0.991 1466 E HN -0.249 nan 8.360 nan 0.000 0.458 1467 K N 3.726 124.193 120.400 0.111 0.000 2.596 1467 K HA 0.080 4.402 4.320 0.003 0.000 0.211 1467 K C -0.349 176.274 176.600 0.039 0.000 1.046 1467 K CA -0.153 56.177 56.287 0.073 0.000 1.202 1467 K CB -0.670 31.861 32.500 0.052 0.000 0.925 1467 K HN 0.375 nan 8.250 nan 0.000 0.486 1468 c N 1.981 120.610 118.600 0.050 0.000 2.252 1468 c HA 0.314 4.886 4.570 0.003 0.000 0.342 1468 c C 0.348 174.388 174.090 -0.082 0.000 1.110 1468 c CA 0.082 56.417 56.329 0.012 0.000 1.581 1468 c CB -1.359 41.201 42.510 0.083 0.000 2.087 1468 c HN 0.395 nan 8.230 nan 0.000 0.500 1469 T N 5.207 119.691 114.554 -0.116 0.000 2.909 1469 T HA 0.596 4.948 4.350 0.003 0.000 0.299 1469 T C -1.251 173.287 174.700 -0.270 0.000 1.073 1469 T CA -0.468 61.500 62.100 -0.220 0.000 0.999 1469 T CB 0.777 69.504 68.868 -0.235 0.000 1.098 1469 T HN 0.748 nan 8.240 nan 0.000 0.477 1470 K N 2.437 122.626 120.400 -0.352 0.000 2.551 1470 K HA 0.496 4.818 4.320 0.003 0.000 0.269 1470 K C -1.577 174.813 176.600 -0.350 0.000 0.949 1470 K CA -0.733 55.374 56.287 -0.300 0.000 0.849 1470 K CB 1.850 34.283 32.500 -0.111 0.000 1.411 1470 K HN 0.404 nan 8.250 nan 0.000 0.432 1471 F N 0.982 120.965 119.950 0.055 0.000 2.497 1471 F HA 0.509 5.038 4.527 0.003 0.000 0.331 1471 F C -0.005 175.885 175.800 0.150 0.000 1.060 1471 F CA -0.465 57.575 58.000 0.068 0.000 0.989 1471 F CB 0.991 39.983 39.000 -0.014 0.000 1.245 1471 F HN 0.449 nan 8.300 nan 0.000 0.486 1472 Y N -1.029 119.406 120.300 0.224 0.000 2.571 1472 Y HA 0.709 5.261 4.550 0.003 0.000 0.341 1472 Y C -1.473 174.512 175.900 0.141 0.000 1.076 1472 Y CA -1.143 57.026 58.100 0.116 0.000 1.029 1472 Y CB 1.715 40.191 38.460 0.027 0.000 1.308 1472 Y HN 0.758 nan 8.280 nan 0.000 0.461 1473 H N 3.551 122.620 119.070 -0.000 0.000 3.155 1473 H HA 0.181 4.739 4.556 0.003 0.000 0.328 1473 H C -2.485 172.856 175.328 0.021 0.000 1.059 1473 H CA -2.111 53.889 56.048 -0.081 0.000 1.378 1473 H CB 2.988 32.706 29.762 -0.073 0.000 1.998 1473 H HN 0.496 nan 8.280 nan 0.000 0.480 1474 P HA -0.230 nan 4.420 nan 0.000 0.219 1474 P C 0.387 177.610 177.300 -0.129 0.000 1.158 1474 P CA 1.874 64.948 63.100 -0.043 0.000 0.895 1474 P CB 0.265 31.947 31.700 -0.030 0.000 0.792 1475 D N -3.005 117.204 120.400 -0.318 0.000 2.395 1475 D HA 0.079 4.721 4.640 0.003 0.000 0.213 1475 D C 0.329 176.521 176.300 -0.180 0.000 1.110 1475 D CA 0.078 53.943 54.000 -0.225 0.000 0.835 1475 D CB -0.100 40.565 40.800 -0.225 0.000 0.965 1475 D HN 0.011 nan 8.370 nan 0.000 0.505 1476 K N 1.053 121.359 120.400 -0.156 0.000 2.367 1476 K HA 0.466 4.788 4.320 0.003 0.000 0.263 1476 K C 1.143 177.770 176.600 0.044 0.000 1.000 1476 K CA -0.550 55.738 56.287 0.002 0.000 0.891 1476 K CB 1.732 34.317 32.500 0.142 0.000 1.117 1476 K HN 0.060 nan 8.250 nan 0.000 0.443 1477 G N 1.858 110.678 108.800 0.032 0.000 2.701 1477 G HA2 -0.334 3.628 3.960 0.003 0.000 0.215 1477 G HA3 -0.334 3.628 3.960 0.003 0.000 0.215 1477 G C 1.330 176.271 174.900 0.069 0.000 1.297 1477 G CA 2.038 47.162 45.100 0.039 0.000 0.807 1477 G HN 0.624 nan 8.290 nan 0.000 0.608 1478 T N -1.621 112.976 114.554 0.072 0.000 2.759 1478 T HA 0.190 4.542 4.350 0.003 0.000 0.269 1478 T C 2.186 176.972 174.700 0.143 0.000 1.042 1478 T CA 1.884 64.041 62.100 0.095 0.000 1.140 1478 T CB -0.547 68.374 68.868 0.087 0.000 0.864 1478 T HN 1.815 nan 8.240 nan 0.000 0.455 1479 G N 0.620 109.502 108.800 0.136 0.000 2.217 1479 G HA2 -0.196 3.766 3.960 0.003 0.000 0.246 1479 G HA3 -0.196 3.766 3.960 0.003 0.000 0.246 1479 G C -0.032 174.913 174.900 0.075 0.000 0.990 1479 G CA 0.062 45.254 45.100 0.152 0.000 0.627 1479 G HN 0.940 nan 8.290 nan 0.000 0.522 1480 L N 3.415 124.695 121.223 0.095 0.000 2.477 1480 L HA 0.617 4.959 4.340 0.003 0.000 0.272 1480 L C 0.774 177.648 176.870 0.007 0.000 1.157 1480 L CA -1.333 53.525 54.840 0.031 0.000 0.889 1480 L CB 0.045 42.154 42.059 0.083 0.000 1.158 1480 L HN 0.541 nan 8.230 nan 0.000 0.473 1481 L N 2.953 124.146 121.223 -0.050 0.000 2.467 1481 L HA 0.385 4.726 4.340 0.003 0.000 0.270 1481 L C 0.396 177.285 176.870 0.033 0.000 1.205 1481 L CA -0.224 54.632 54.840 0.027 0.000 0.828 1481 L CB -0.983 41.099 42.059 0.039 0.000 1.101 1481 L HN 0.594 nan 8.230 nan 0.000 0.479 1482 N N 2.268 120.992 118.700 0.040 0.000 2.412 1482 N HA 0.174 4.915 4.740 0.003 0.000 0.254 1482 N C -0.238 175.287 175.510 0.025 0.000 1.232 1482 N CA 0.319 53.383 53.050 0.023 0.000 0.880 1482 N CB 0.281 38.769 38.487 0.002 0.000 1.076 1482 N HN 0.832 nan 8.380 nan 0.000 0.458 1483 K N 0.656 121.071 120.400 0.026 0.000 2.575 1483 K HA 0.498 4.820 4.320 0.003 0.000 0.279 1483 K C -1.326 175.291 176.600 0.029 0.000 0.969 1483 K CA -0.728 55.577 56.287 0.030 0.000 0.868 1483 K CB 1.154 33.673 32.500 0.031 0.000 1.457 1483 K HN 0.266 nan 8.250 nan 0.000 0.426 1484 I N 1.327 121.915 120.570 0.031 0.000 2.441 1484 I HA 0.382 4.554 4.170 0.003 0.000 0.295 1484 I C -0.951 175.181 176.117 0.026 0.000 0.994 1484 I CA -0.906 60.412 61.300 0.030 0.000 1.144 1484 I CB 1.873 39.895 38.000 0.037 0.000 1.314 1484 I HN 0.622 nan 8.210 nan 0.000 0.445 1485 c N 7.035 125.649 118.600 0.024 0.000 2.431 1485 c HA 0.621 5.193 4.570 0.003 0.000 0.321 1485 c C -0.324 173.776 174.090 0.018 0.000 1.202 1485 c CA -0.700 55.642 56.329 0.020 0.000 1.398 1485 c CB 0.815 43.338 42.510 0.021 0.000 2.047 1485 c HN 0.616 nan 8.230 nan 0.000 0.465 1486 I N 1.562 122.141 120.570 0.014 0.000 2.468 1486 I HA 0.781 4.953 4.170 0.003 0.000 0.285 1486 I C 0.443 176.566 176.117 0.010 0.000 1.039 1486 I CA 0.213 61.520 61.300 0.012 0.000 1.074 1486 I CB 1.186 39.193 38.000 0.011 0.000 1.228 1486 I HN 0.947 nan 8.210 nan 0.000 0.436 1487 G N 5.909 114.715 108.800 0.011 0.000 2.536 1487 G HA2 -0.342 3.620 3.960 0.003 0.000 0.280 1487 G HA3 -0.342 3.620 3.960 0.003 0.000 0.280 1487 G C 0.501 175.409 174.900 0.012 0.000 1.152 1487 G CA 0.805 45.911 45.100 0.011 0.000 0.970 1487 G HN 0.707 nan 8.290 nan 0.000 0.549 1488 N N 0.351 119.058 118.700 0.012 0.000 2.416 1488 N HA 0.150 4.892 4.740 0.003 0.000 0.177 1488 N C 0.988 176.505 175.510 0.012 0.000 1.036 1488 N CA 1.030 54.088 53.050 0.013 0.000 0.901 1488 N CB 0.032 38.527 38.487 0.013 0.000 0.976 1488 N HN 0.521 nan 8.380 nan 0.000 0.444 1489 V N 0.913 120.832 119.914 0.009 0.000 2.488 1489 V HA 0.211 4.332 4.120 0.003 0.000 0.277 1489 V C 0.452 176.550 176.094 0.007 0.000 1.046 1489 V CA -0.628 61.675 62.300 0.004 0.000 0.986 1489 V CB 0.983 32.805 31.823 -0.001 0.000 0.989 1489 V HN 0.057 nan 8.190 nan 0.000 0.475 1490 c N 4.794 123.397 118.600 0.006 0.000 2.779 1490 c HA 0.963 5.535 4.570 0.003 0.000 0.314 1490 c C 0.106 174.200 174.090 0.007 0.000 1.231 1490 c CA -0.470 55.866 56.329 0.012 0.000 1.652 1490 c CB 2.213 44.734 42.510 0.019 0.000 2.198 1490 c HN 1.035 nan 8.230 nan 0.000 0.483 1491 R N 0.428 120.938 120.500 0.015 0.000 2.747 1491 R HA 0.563 4.904 4.340 0.003 0.000 0.272 1491 R C -0.422 175.898 176.300 0.033 0.000 1.032 1491 R CA -0.288 55.822 56.100 0.016 0.000 0.896 1491 R CB 0.169 30.474 30.300 0.007 0.000 1.253 1491 R HN 0.898 nan 8.270 nan 0.000 0.461 1492 c N -0.530 118.098 118.600 0.047 0.000 2.894 1492 c HA 0.649 5.221 4.570 0.003 0.000 0.266 1492 c C 1.299 175.417 174.090 0.048 0.000 1.773 1492 c CA 1.057 57.424 56.329 0.063 0.000 1.953 1492 c CB 0.428 43.001 42.510 0.104 0.000 1.978 1492 c HN 0.791 nan 8.230 nan 0.000 0.615 1493 A N -2.021 120.824 122.820 0.041 0.000 2.642 1493 A HA 0.436 4.758 4.320 0.003 0.000 0.164 1493 A C 1.293 178.870 177.584 -0.011 0.000 1.594 1493 A CA 1.250 53.298 52.037 0.019 0.000 1.137 1493 A CB -0.970 18.039 19.000 0.016 0.000 1.353 1493 A HN 2.283 nan 8.150 nan 0.000 0.450 1494 G N -0.417 108.371 108.800 -0.019 0.000 2.353 1494 G HA2 -0.413 3.549 3.960 0.003 0.000 0.258 1494 G HA3 -0.413 3.549 3.960 0.003 0.000 0.258 1494 G C 0.749 175.552 174.900 -0.162 0.000 1.013 1494 G CA 1.517 46.575 45.100 -0.071 0.000 0.622 1494 G HN 1.081 nan 8.290 nan 0.000 0.535 1495 E N -1.488 118.633 120.200 -0.132 0.000 4.807 1495 E HA -0.315 4.036 4.350 0.003 0.000 0.171 1495 E C 1.080 177.577 176.600 -0.173 0.000 1.266 1495 E CA 2.463 58.759 56.400 -0.174 0.000 2.327 1495 E CB -1.833 27.654 29.700 -0.354 0.000 1.829 1495 E HN 1.440 nan 8.360 nan 0.000 0.414 1496 T N 1.799 116.224 114.554 -0.215 0.000 2.814 1496 T HA 0.311 4.663 4.350 0.003 0.000 0.297 1496 T C 0.718 175.355 174.700 -0.104 0.000 0.956 1496 T CA 0.030 62.038 62.100 -0.153 0.000 1.123 1496 T CB 0.460 69.234 68.868 -0.157 0.000 0.902 1496 T HN 0.374 nan 8.240 nan 0.000 0.528 1497 c N 4.169 122.721 118.600 -0.081 0.000 2.820 1497 c HA 0.456 5.028 4.570 0.003 0.000 0.359 1497 c C 1.141 175.184 174.090 -0.078 0.000 1.357 1497 c CA 0.100 56.389 56.329 -0.067 0.000 2.197 1497 c CB -0.230 42.247 42.510 -0.055 0.000 2.569 1497 c HN 1.076 nan 8.230 nan 0.000 0.753 1498 S N 1.486 117.137 115.700 -0.082 0.000 2.733 1498 S HA 0.516 4.987 4.470 0.003 0.000 0.307 1498 S C -0.532 173.986 174.600 -0.137 0.000 1.127 1498 S CA -0.440 57.694 58.200 -0.110 0.000 1.097 1498 S CB 1.088 64.225 63.200 -0.105 0.000 1.003 1498 S HN 0.982 nan 8.310 nan 0.000 0.477 1499 S N 4.452 120.061 115.700 -0.151 0.000 2.584 1499 S HA 0.488 4.960 4.470 0.003 0.000 0.273 1499 S C 0.121 174.582 174.600 -0.232 0.000 1.311 1499 S CA -0.941 57.162 58.200 -0.163 0.000 1.034 1499 S CB 0.696 63.815 63.200 -0.136 0.000 0.939 1499 S HN 0.834 nan 8.310 nan 0.000 0.513 1500 L N 3.439 124.532 121.223 -0.217 0.000 2.385 1500 L HA 0.219 4.561 4.340 0.003 0.000 0.281 1500 L C -0.157 176.550 176.870 -0.271 0.000 1.106 1500 L CA 0.085 54.771 54.840 -0.257 0.000 0.856 1500 L CB -1.007 40.942 42.059 -0.184 0.000 1.186 1500 L HN 0.742 nan 8.230 nan 0.000 0.453 1501 N N 4.329 122.739 118.700 -0.484 0.000 2.434 1501 N HA -0.041 4.701 4.740 0.003 0.000 0.268 1501 N C -0.645 174.741 175.510 -0.207 0.000 1.256 1501 N CA 0.119 52.841 53.050 -0.547 0.000 0.914 1501 N CB 0.344 38.046 38.487 -1.308 0.000 1.088 1501 N HN 0.545 nan 8.380 nan 0.000 0.478 1502 H N 2.093 121.046 119.070 -0.196 0.000 2.469 1502 H HA 0.320 4.878 4.556 0.003 0.000 0.342 1502 H C -0.714 174.596 175.328 -0.031 0.000 1.115 1502 H CA -0.361 55.645 56.048 -0.069 0.000 1.204 1502 H CB 1.045 30.784 29.762 -0.039 0.000 1.492 1502 H HN 0.528 nan 8.280 nan 0.000 0.499 1503 Q N 3.727 123.335 119.800 -0.320 0.000 2.541 1503 Q HA 0.110 4.452 4.340 0.003 0.000 0.259 1503 Q C -0.878 175.007 176.000 -0.191 0.000 0.974 1503 Q CA -0.642 55.035 55.803 -0.210 0.000 0.955 1503 Q CB 1.074 29.814 28.738 0.003 0.000 1.517 1503 Q HN 0.679 nan 8.270 nan 0.000 0.412 1504 E N 2.328 122.432 120.200 -0.160 0.000 2.162 1504 E HA 0.190 4.541 4.350 0.003 0.000 0.193 1504 E C 0.058 176.659 176.600 0.002 0.000 0.953 1504 E CA 0.305 56.661 56.400 -0.073 0.000 0.849 1504 E CB 0.203 29.853 29.700 -0.082 0.000 0.810 1504 E HN 0.359 nan 8.360 nan 0.000 0.470 1505 R N 0.856 121.356 120.500 0.001 0.000 2.310 1505 R HA 0.478 4.820 4.340 0.003 0.000 0.324 1505 R C -1.156 175.165 176.300 0.035 0.000 0.955 1505 R CA -0.356 55.756 56.100 0.020 0.000 0.830 1505 R CB 0.469 30.776 30.300 0.010 0.000 1.154 1505 R HN 0.098 nan 8.270 nan 0.000 0.458 1506 I N 2.975 123.575 120.570 0.049 0.000 2.321 1506 I HA 0.157 4.329 4.170 0.003 0.000 0.291 1506 I C -0.044 176.095 176.117 0.037 0.000 0.998 1506 I CA -0.575 60.751 61.300 0.044 0.000 1.227 1506 I CB 1.505 39.518 38.000 0.023 0.000 1.368 1506 I HN 0.506 nan 8.210 nan 0.000 0.466 1507 D N 6.720 127.144 120.400 0.039 0.000 2.359 1507 D HA 0.054 4.695 4.640 0.003 0.000 0.250 1507 D C 1.003 177.332 176.300 0.048 0.000 1.264 1507 D CA 0.007 54.031 54.000 0.039 0.000 0.911 1507 D CB 1.333 42.156 40.800 0.039 0.000 1.056 1507 D HN 0.272 nan 8.370 nan 0.000 0.499 1508 V N 6.094 126.045 119.914 0.061 0.000 2.295 1508 V HA -0.167 3.955 4.120 0.003 0.000 0.246 1508 V C -0.738 175.403 176.094 0.078 0.000 1.049 1508 V CA 1.436 63.801 62.300 0.109 0.000 1.024 1508 V CB -1.248 30.643 31.823 0.113 0.000 0.648 1508 V HN 0.509 nan 8.190 nan 0.000 0.447 1509 P HA -0.162 nan 4.420 nan 0.000 0.213 1509 P C 1.949 179.249 177.300 0.000 0.000 1.170 1509 P CA 1.268 64.367 63.100 -0.001 0.000 0.898 1509 P CB -0.142 31.555 31.700 -0.006 0.000 0.787 1510 L N 0.109 121.340 121.223 0.015 0.000 1.956 1510 L HA -0.253 4.088 4.340 0.003 0.000 0.216 1510 L C 2.468 179.344 176.870 0.011 0.000 1.073 1510 L CA 2.118 56.969 54.840 0.017 0.000 0.762 1510 L CB -1.809 40.272 42.059 0.036 0.000 0.889 1510 L HN -0.125 nan 8.230 nan 0.000 0.433 1511 Q N -0.468 119.350 119.800 0.030 0.000 2.133 1511 Q HA -0.240 4.101 4.340 0.003 0.000 0.208 1511 Q C 2.062 178.064 176.000 0.004 0.000 0.991 1511 Q CA 2.893 58.696 55.803 -0.001 0.000 0.867 1511 Q CB -0.547 28.165 28.738 -0.043 0.000 0.911 1511 Q HN 0.788 nan 8.270 nan 0.000 0.417 1512 I N -1.337 119.263 120.570 0.050 0.000 2.493 1512 I HA -0.126 4.045 4.170 0.003 0.000 0.254 1512 I C 1.542 177.558 176.117 -0.168 0.000 1.160 1512 I CA 1.339 62.562 61.300 -0.128 0.000 1.445 1512 I CB -0.520 37.344 38.000 -0.226 0.000 1.086 1512 I HN 0.080 nan 8.210 nan 0.000 0.433 1513 E N 2.339 122.477 120.200 -0.102 0.000 2.017 1513 E HA -0.207 4.145 4.350 0.003 0.000 0.193 1513 E C 2.009 178.538 176.600 -0.117 0.000 0.997 1513 E CA 1.532 57.878 56.400 -0.091 0.000 0.804 1513 E CB -0.372 29.304 29.700 -0.040 0.000 0.757 1513 E HN 0.627 nan 8.360 nan 0.000 0.448 1514 K N 0.988 121.326 120.400 -0.103 0.000 1.988 1514 K HA -0.171 4.151 4.320 0.003 0.000 0.221 1514 K C 2.252 178.667 176.600 -0.308 0.000 1.053 1514 K CA 1.562 57.802 56.287 -0.079 0.000 0.959 1514 K CB -0.428 32.090 32.500 0.031 0.000 0.728 1514 K HN 0.084 nan 8.250 nan 0.000 0.447 1515 A N 0.729 123.072 122.820 -0.796 0.000 2.125 1515 A HA -0.135 4.186 4.320 0.003 0.000 0.219 1515 A C 1.490 178.658 177.584 -0.694 0.000 1.156 1515 A CA 0.883 52.090 52.037 -1.385 0.000 0.671 1515 A CB -0.514 17.468 19.000 -1.696 0.000 0.794 1515 A HN 0.465 nan 8.150 nan 0.000 0.459 1516 c N 1.118 119.475 118.600 -0.406 0.000 2.694 1516 c HA 0.504 5.076 4.570 0.003 0.000 0.517 1516 c C 0.174 174.171 174.090 -0.157 0.000 1.184 1516 c CA -0.523 55.654 56.329 -0.254 0.000 1.476 1516 c CB -2.049 40.339 42.510 -0.204 0.000 1.743 1516 c HN 0.541 nan 8.230 nan 0.000 0.612 1517 E N -0.114 120.004 120.200 -0.136 0.000 2.238 1517 E HA 0.323 4.675 4.350 0.003 0.000 0.267 1517 E C 1.108 177.703 176.600 -0.008 0.000 0.887 1517 E CA -0.250 56.121 56.400 -0.049 0.000 0.769 1517 E CB 1.467 31.165 29.700 -0.005 0.000 1.187 1517 E HN 0.224 nan 8.360 nan 0.000 0.416 1518 T N 2.435 116.995 114.554 0.009 0.000 2.594 1518 T HA -0.256 4.096 4.350 0.003 0.000 0.266 1518 T C 0.919 175.645 174.700 0.044 0.000 1.070 1518 T CA 2.224 64.338 62.100 0.023 0.000 1.166 1518 T CB -0.500 68.385 68.868 0.029 0.000 0.862 1518 T HN 0.617 nan 8.240 nan 0.000 0.436 1519 N N 1.164 119.901 118.700 0.061 0.000 3.052 1519 N HA 0.204 4.946 4.740 0.003 0.000 0.302 1519 N C -1.030 174.558 175.510 0.130 0.000 1.332 1519 N CA -0.173 52.928 53.050 0.085 0.000 1.129 1519 N CB 0.626 39.158 38.487 0.075 0.000 1.436 1519 N HN 0.308 nan 8.380 nan 0.000 0.536 1520 V N 1.077 121.065 119.914 0.123 0.000 2.501 1520 V HA 0.033 4.155 4.120 0.003 0.000 0.277 1520 V C 0.568 176.775 176.094 0.189 0.000 1.004 1520 V CA -0.614 61.797 62.300 0.184 0.000 0.862 1520 V CB 1.237 33.126 31.823 0.110 0.000 1.035 1520 V HN 0.267 nan 8.190 nan 0.000 0.448 1521 D N 3.467 124.046 120.400 0.299 0.000 2.309 1521 D HA -0.052 4.590 4.640 0.003 0.000 0.212 1521 D C 0.211 176.753 176.300 0.404 0.000 0.968 1521 D CA 1.505 55.672 54.000 0.279 0.000 0.882 1521 D CB 0.214 41.123 40.800 0.181 0.000 0.918 1521 D HN 0.738 nan 8.370 nan 0.000 0.503 1522 Y N -4.351 115.994 120.300 0.076 0.000 2.583 1522 Y HA 0.458 5.010 4.550 0.003 0.000 0.330 1522 Y C -2.048 173.857 175.900 0.009 0.000 1.185 1522 Y CA -1.551 56.580 58.100 0.051 0.000 1.107 1522 Y CB 0.789 39.256 38.460 0.012 0.000 1.344 1522 Y HN -0.332 nan 8.280 nan 0.000 0.463 1523 V N 4.092 123.891 119.914 -0.192 0.000 2.409 1523 V HA 0.395 4.516 4.120 0.003 0.000 0.290 1523 V C -1.217 174.959 176.094 0.135 0.000 1.017 1523 V CA -0.702 61.476 62.300 -0.204 0.000 0.841 1523 V CB 0.697 32.454 31.823 -0.111 0.000 1.003 1523 V HN 0.647 nan 8.190 nan 0.000 0.426 1524 Y N 2.366 122.683 120.300 0.028 0.000 2.496 1524 Y HA 0.612 5.164 4.550 0.003 0.000 0.331 1524 Y C 0.309 176.253 175.900 0.073 0.000 1.140 1524 Y CA -2.044 56.102 58.100 0.077 0.000 1.166 1524 Y CB 1.309 39.834 38.460 0.107 0.000 1.249 1524 Y HN 0.522 nan 8.280 nan 0.000 0.479 1525 K N 0.633 121.137 120.400 0.172 0.000 2.123 1525 K HA 0.645 4.967 4.320 0.003 0.000 0.259 1525 K C -1.014 175.559 176.600 -0.044 0.000 0.960 1525 K CA -0.279 56.003 56.287 -0.007 0.000 0.872 1525 K CB 1.428 33.669 32.500 -0.433 0.000 1.079 1525 K HN 0.815 nan 8.250 nan 0.000 0.440 1526 T N 2.249 116.778 114.554 -0.042 0.000 3.393 1526 T HA 0.173 4.525 4.350 0.003 0.000 0.359 1526 T C -1.892 172.835 174.700 0.045 0.000 1.380 1526 T CA -0.831 61.271 62.100 0.004 0.000 1.132 1526 T CB 0.940 69.873 68.868 0.109 0.000 1.284 1526 T HN 0.706 nan 8.240 nan 0.000 0.477 1527 K N 3.495 123.901 120.400 0.009 0.000 2.234 1527 K HA 0.592 4.914 4.320 0.003 0.000 0.282 1527 K C -0.344 176.335 176.600 0.132 0.000 1.039 1527 K CA -0.883 55.434 56.287 0.049 0.000 0.928 1527 K CB 0.781 33.284 32.500 0.005 0.000 1.039 1527 K HN 0.526 nan 8.250 nan 0.000 0.470 1528 L N 6.616 127.967 121.223 0.214 0.000 2.302 1528 L HA 0.145 4.486 4.340 0.003 0.000 0.285 1528 L C -0.306 176.666 176.870 0.171 0.000 1.090 1528 L CA -0.192 54.781 54.840 0.221 0.000 0.866 1528 L CB 0.100 42.343 42.059 0.307 0.000 1.244 1528 L HN 0.706 nan 8.230 nan 0.000 0.435 1529 L N 3.744 125.048 121.223 0.134 0.000 1.851 1529 L HA 0.192 4.534 4.340 0.003 0.000 0.228 1529 L C 1.310 178.238 176.870 0.097 0.000 1.095 1529 L CA 0.823 55.724 54.840 0.101 0.000 1.147 1529 L CB -0.865 41.242 42.059 0.080 0.000 1.019 1529 L HN 0.536 nan 8.230 nan 0.000 0.580 1530 R N 0.086 120.633 120.500 0.079 0.000 2.679 1530 R HA 0.431 4.773 4.340 0.003 0.000 0.269 1530 R C -0.724 175.609 176.300 0.054 0.000 1.076 1530 R CA -0.169 55.965 56.100 0.056 0.000 1.160 1530 R CB 0.316 30.638 30.300 0.037 0.000 1.054 1530 R HN 0.267 nan 8.270 nan 0.000 0.507 1531 I N 1.627 122.202 120.570 0.008 0.000 2.410 1531 I HA 0.263 4.435 4.170 0.003 0.000 0.286 1531 I C -0.198 175.853 176.117 -0.109 0.000 1.009 1531 I CA -0.356 60.895 61.300 -0.083 0.000 1.111 1531 I CB 1.817 39.747 38.000 -0.117 0.000 1.262 1531 I HN 0.541 nan 8.210 nan 0.000 0.443 1532 E N 3.622 123.744 120.200 -0.131 0.000 2.339 1532 E HA 0.472 4.824 4.350 0.003 0.000 0.262 1532 E C -1.177 175.359 176.600 -0.106 0.000 0.934 1532 E CA -0.885 55.462 56.400 -0.089 0.000 0.802 1532 E CB 2.444 32.119 29.700 -0.042 0.000 1.275 1532 E HN 0.326 nan 8.360 nan 0.000 0.427 1533 E N 1.497 121.657 120.200 -0.066 0.000 2.158 1533 E HA 0.264 4.616 4.350 0.003 0.000 0.271 1533 E C -1.664 174.915 176.600 -0.034 0.000 0.911 1533 E CA -0.649 55.717 56.400 -0.056 0.000 0.767 1533 E CB 1.217 30.891 29.700 -0.044 0.000 1.120 1533 E HN 0.216 nan 8.360 nan 0.000 0.405 1534 Q N 3.660 123.443 119.800 -0.028 0.000 2.759 1534 Q HA 0.269 4.611 4.340 0.003 0.000 0.225 1534 Q C -1.628 174.368 176.000 -0.006 0.000 0.823 1534 Q CA -0.215 55.581 55.803 -0.012 0.000 0.828 1534 Q CB 0.386 29.120 28.738 -0.007 0.000 1.425 1534 Q HN 0.643 nan 8.270 nan 0.000 0.449 1535 D N 3.137 123.534 120.400 -0.004 0.000 2.718 1535 D HA -0.193 4.449 4.640 0.003 0.000 0.242 1535 D C 0.759 177.061 176.300 0.003 0.000 1.123 1535 D CA 1.434 55.436 54.000 0.002 0.000 0.690 1535 D CB -1.442 39.362 40.800 0.006 0.000 1.059 1535 D HN 1.118 nan 8.370 nan 0.000 0.429 1536 G N -0.183 108.616 108.800 -0.002 0.000 2.238 1536 G HA2 -0.384 3.578 3.960 0.003 0.000 0.270 1536 G HA3 -0.384 3.578 3.960 0.003 0.000 0.270 1536 G C 0.205 175.107 174.900 0.004 0.000 0.977 1536 G CA 0.634 45.734 45.100 0.000 0.000 0.639 1536 G HN 0.522 nan 8.290 nan 0.000 0.544 1537 N N 1.960 120.663 118.700 0.004 0.000 2.422 1537 N HA 0.350 5.092 4.740 0.003 0.000 0.266 1537 N C -0.791 174.709 175.510 -0.016 0.000 1.007 1537 N CA -0.262 52.795 53.050 0.012 0.000 0.941 1537 N CB 1.071 39.572 38.487 0.024 0.000 1.115 1537 N HN 0.211 nan 8.380 nan 0.000 0.492 1538 D N 1.860 122.240 120.400 -0.033 0.000 2.351 1538 D HA 0.173 4.814 4.640 0.003 0.000 0.251 1538 D C 0.254 176.493 176.300 -0.102 0.000 1.137 1538 D CA 0.037 53.941 54.000 -0.160 0.000 0.879 1538 D CB 1.299 41.895 40.800 -0.340 0.000 1.181 1538 D HN 0.327 nan 8.370 nan 0.000 0.448 1539 I N 2.660 123.156 120.570 -0.125 0.000 2.337 1539 I HA 0.124 4.296 4.170 0.003 0.000 0.285 1539 I C -0.374 175.714 176.117 -0.048 0.000 1.041 1539 I CA -0.774 60.523 61.300 -0.005 0.000 1.199 1539 I CB -0.048 37.961 38.000 0.015 0.000 1.370 1539 I HN 0.130 nan 8.210 nan 0.000 0.470 1540 Y N 5.054 125.397 120.300 0.073 0.000 2.531 1540 Y HA 0.327 4.879 4.550 0.003 0.000 0.347 1540 Y C 0.525 176.495 175.900 0.116 0.000 1.024 1540 Y CA -0.744 57.399 58.100 0.072 0.000 1.306 1540 Y CB 0.319 38.803 38.460 0.039 0.000 1.149 1540 Y HN 0.283 nan 8.280 nan 0.000 0.527 1541 V N 5.742 125.775 119.914 0.199 0.000 2.508 1541 V HA 0.146 4.267 4.120 0.003 0.000 0.281 1541 V C 0.291 176.504 176.094 0.200 0.000 1.041 1541 V CA -0.401 62.004 62.300 0.176 0.000 1.016 1541 V CB 0.477 32.365 31.823 0.109 0.000 0.984 1541 V HN 0.695 nan 8.190 nan 0.000 0.478 1542 M N 3.724 123.463 119.600 0.232 0.000 2.456 1542 M HA 0.504 4.986 4.480 0.003 0.000 0.324 1542 M C -0.820 175.568 176.300 0.148 0.000 1.124 1542 M CA -0.538 54.893 55.300 0.218 0.000 0.959 1542 M CB 1.904 34.704 32.600 0.334 0.000 1.692 1542 M HN 0.598 nan 8.290 nan 0.000 0.444 1543 D N 1.790 122.242 120.400 0.087 0.000 2.278 1543 D HA 0.509 5.151 4.640 0.003 0.000 0.245 1543 D C -1.099 175.177 176.300 -0.040 0.000 1.052 1543 D CA -0.348 53.660 54.000 0.013 0.000 0.834 1543 D CB 2.171 42.977 40.800 0.009 0.000 1.194 1543 D HN 0.270 nan 8.370 nan 0.000 0.481 1544 V N 4.145 123.971 119.914 -0.147 0.000 2.649 1544 V HA 0.171 4.292 4.120 0.003 0.000 0.292 1544 V C 0.821 176.809 176.094 -0.177 0.000 1.055 1544 V CA -0.367 61.807 62.300 -0.211 0.000 1.023 1544 V CB 1.313 32.836 31.823 -0.500 0.000 0.992 1544 V HN 0.505 nan 8.190 nan 0.000 0.480 1545 L N 2.595 123.721 121.223 -0.161 0.000 3.076 1545 L HA 0.429 4.771 4.340 0.003 0.000 0.173 1545 L C 0.885 177.661 176.870 -0.156 0.000 1.343 1545 L CA 0.671 55.415 54.840 -0.161 0.000 0.894 1545 L CB -0.420 41.514 42.059 -0.208 0.000 1.372 1545 L HN 0.617 nan 8.230 nan 0.000 0.565 1546 E N -0.181 119.924 120.200 -0.158 0.000 2.242 1546 E HA 0.428 4.780 4.350 0.003 0.000 0.275 1546 E C -1.202 175.371 176.600 -0.044 0.000 1.002 1546 E CA -0.464 55.878 56.400 -0.097 0.000 0.841 1546 E CB 2.189 31.839 29.700 -0.083 0.000 1.109 1546 E HN -0.102 nan 8.360 nan 0.000 0.394 1547 V N 5.372 125.270 119.914 -0.028 0.000 2.257 1547 V HA 0.056 4.178 4.120 0.003 0.000 0.269 1547 V C 1.009 177.151 176.094 0.080 0.000 1.040 1547 V CA -0.339 61.988 62.300 0.046 0.000 0.813 1547 V CB 0.040 31.845 31.823 -0.029 0.000 1.065 1547 V HN 0.666 nan 8.190 nan 0.000 0.457 1548 I N 2.137 122.781 120.570 0.123 0.000 2.040 1548 I HA -0.078 4.094 4.170 0.003 0.000 0.224 1548 I C 1.421 177.546 176.117 0.015 0.000 1.038 1548 I CA 1.259 62.592 61.300 0.055 0.000 1.330 1548 I CB -0.420 37.633 38.000 0.088 0.000 1.076 1548 I HN 0.469 nan 8.210 nan 0.000 0.388 1549 K N 1.990 122.402 120.400 0.020 0.000 2.310 1549 K HA 0.049 4.371 4.320 0.003 0.000 0.290 1549 K C 0.006 176.692 176.600 0.143 0.000 1.077 1549 K CA -0.217 56.078 56.287 0.013 0.000 0.922 1549 K CB 0.351 32.812 32.500 -0.064 0.000 1.057 1549 K HN 0.113 nan 8.250 nan 0.000 0.479 1550 Q N 3.266 123.137 119.800 0.118 0.000 2.255 1550 Q HA 0.106 4.448 4.340 0.003 0.000 0.280 1550 Q C 0.259 176.404 176.000 0.241 0.000 1.068 1550 Q CA 0.330 56.238 55.803 0.175 0.000 0.911 1550 Q CB 0.912 29.704 28.738 0.090 0.000 1.157 1550 Q HN 0.735 nan 8.270 nan 0.000 0.380 1551 G N 2.324 111.358 108.800 0.391 0.000 2.479 1551 G HA2 0.013 3.975 3.960 0.003 0.000 0.275 1551 G HA3 0.013 3.975 3.960 0.003 0.000 0.275 1551 G C 0.267 175.296 174.900 0.215 0.000 1.421 1551 G CA 0.229 45.560 45.100 0.386 0.000 1.059 1551 G HN 0.721 nan 8.290 nan 0.000 0.535 1552 T N 0.102 114.754 114.554 0.163 0.000 3.035 1552 T HA 0.064 4.415 4.350 0.003 0.000 0.259 1552 T C 0.271 175.032 174.700 0.102 0.000 1.078 1552 T CA 0.645 62.803 62.100 0.098 0.000 1.132 1552 T CB -0.220 68.677 68.868 0.049 0.000 0.900 1552 T HN 0.497 nan 8.240 nan 0.000 0.480 1553 D N 2.567 123.057 120.400 0.150 0.000 2.426 1553 D HA 0.130 4.771 4.640 0.003 0.000 0.261 1553 D C 0.881 177.247 176.300 0.110 0.000 1.245 1553 D CA 0.045 54.130 54.000 0.141 0.000 0.917 1553 D CB 0.674 41.611 40.800 0.229 0.000 1.123 1553 D HN 0.137 nan 8.370 nan 0.000 0.508 1554 E N 1.343 121.585 120.200 0.069 0.000 2.233 1554 E HA -0.192 4.160 4.350 0.003 0.000 0.199 1554 E C 0.421 177.045 176.600 0.039 0.000 1.004 1554 E CA 0.993 57.422 56.400 0.048 0.000 0.819 1554 E CB -0.021 29.697 29.700 0.031 0.000 0.738 1554 E HN 0.307 nan 8.360 nan 0.000 0.478 1555 N N -1.669 117.057 118.700 0.043 0.000 2.976 1555 N HA 0.080 4.822 4.740 0.003 0.000 0.220 1555 N C -2.591 172.922 175.510 0.005 0.000 1.428 1555 N CA -1.034 52.022 53.050 0.011 0.000 0.748 1555 N CB 0.676 39.166 38.487 0.005 0.000 1.484 1555 N HN -0.227 nan 8.380 nan 0.000 0.578 1556 P HA -0.102 nan 4.420 nan 0.000 0.213 1556 P C 1.131 178.296 177.300 -0.224 0.000 1.170 1556 P CA 1.458 64.482 63.100 -0.126 0.000 0.893 1556 P CB 0.168 31.519 31.700 -0.582 0.000 0.784 1557 R N -0.066 120.269 120.500 -0.276 0.000 2.261 1557 R HA -0.080 4.262 4.340 0.003 0.000 0.236 1557 R C 1.920 178.154 176.300 -0.109 0.000 1.141 1557 R CA 1.294 57.265 56.100 -0.214 0.000 1.001 1557 R CB -1.442 28.754 30.300 -0.173 0.000 0.866 1557 R HN 0.105 nan 8.270 nan 0.000 0.468 1558 A N 2.247 125.029 122.820 -0.064 0.000 1.823 1558 A HA -0.058 4.263 4.320 0.003 0.000 0.214 1558 A C 0.548 178.138 177.584 0.010 0.000 1.227 1558 A CA 0.964 52.991 52.037 -0.018 0.000 0.616 1558 A CB -0.096 18.904 19.000 0.001 0.000 0.874 1558 A HN 0.092 nan 8.150 nan 0.000 0.455 1559 K N 1.839 122.271 120.400 0.053 0.000 2.227 1559 K HA 0.328 4.650 4.320 0.003 0.000 0.280 1559 K C -0.031 176.668 176.600 0.165 0.000 1.041 1559 K CA 0.067 56.403 56.287 0.082 0.000 0.905 1559 K CB 0.519 33.062 32.500 0.071 0.000 1.068 1559 K HN 0.624 nan 8.250 nan 0.000 0.470 1560 T N 0.738 115.368 114.554 0.127 0.000 2.854 1560 T HA -0.009 4.343 4.350 0.003 0.000 0.336 1560 T C 0.175 175.067 174.700 0.320 0.000 1.095 1560 T CA 0.146 62.345 62.100 0.164 0.000 1.118 1560 T CB 0.126 69.055 68.868 0.102 0.000 1.025 1560 T HN 0.384 nan 8.240 nan 0.000 0.549 1561 H N 0.511 119.599 119.070 0.030 0.000 2.529 1561 H HA 0.463 5.020 4.556 0.003 0.000 0.348 1561 H C -0.078 175.237 175.328 -0.020 0.000 1.152 1561 H CA -0.813 55.216 56.048 -0.032 0.000 1.202 1561 H CB 1.358 31.107 29.762 -0.021 0.000 1.562 1561 H HN 0.623 nan 8.280 nan 0.000 0.515 1562 Q N 2.669 122.436 119.800 -0.054 0.000 2.394 1562 Q HA 0.226 4.568 4.340 0.003 0.000 0.259 1562 Q C -0.980 174.972 176.000 -0.079 0.000 1.021 1562 Q CA -0.525 55.279 55.803 0.002 0.000 0.805 1562 Q CB 1.198 29.939 28.738 0.005 0.000 1.226 1562 Q HN 0.569 nan 8.270 nan 0.000 0.476 1563 Y N 2.906 123.278 120.300 0.121 0.000 2.477 1563 Y HA 0.311 4.863 4.550 0.003 0.000 0.349 1563 Y C 0.056 176.079 175.900 0.206 0.000 0.977 1563 Y CA -0.250 57.930 58.100 0.134 0.000 1.214 1563 Y CB 0.501 39.007 38.460 0.077 0.000 1.124 1563 Y HN 0.445 nan 8.280 nan 0.000 0.521 1564 I N 2.557 123.285 120.570 0.263 0.000 2.392 1564 I HA 0.520 4.692 4.170 0.003 0.000 0.295 1564 I C 0.082 176.330 176.117 0.217 0.000 0.985 1564 I CA -0.372 61.061 61.300 0.222 0.000 1.221 1564 I CB 1.730 39.802 38.000 0.121 0.000 1.366 1564 I HN 0.444 nan 8.210 nan 0.000 0.467 1565 S N 4.049 119.886 115.700 0.229 0.000 2.570 1565 S HA 0.374 4.845 4.470 0.003 0.000 0.270 1565 S C -1.173 173.504 174.600 0.128 0.000 1.149 1565 S CA -0.913 57.387 58.200 0.166 0.000 0.837 1565 S CB 1.504 64.800 63.200 0.159 0.000 1.124 1565 S HN 0.613 nan 8.310 nan 0.000 0.465 1566 Q N 2.127 121.975 119.800 0.080 0.000 2.474 1566 Q HA 0.303 4.645 4.340 0.003 0.000 0.256 1566 Q C 0.713 176.746 176.000 0.055 0.000 1.048 1566 Q CA -0.648 55.187 55.803 0.053 0.000 0.922 1566 Q CB 0.344 29.102 28.738 0.033 0.000 1.288 1566 Q HN 0.483 nan 8.270 nan 0.000 0.484 1567 R N 1.617 122.136 120.500 0.032 0.000 2.127 1567 R HA -0.169 4.173 4.340 0.003 0.000 0.238 1567 R C 1.914 178.231 176.300 0.027 0.000 1.134 1567 R CA 1.520 57.636 56.100 0.026 0.000 0.975 1567 R CB -0.645 29.661 30.300 0.009 0.000 0.865 1567 R HN 0.755 nan 8.270 nan 0.000 0.447 1568 K N 0.289 120.700 120.400 0.019 0.000 2.160 1568 K HA -0.150 4.171 4.320 0.003 0.000 0.206 1568 K C 1.188 177.793 176.600 0.008 0.000 1.047 1568 K CA 1.684 57.975 56.287 0.008 0.000 0.930 1568 K CB -0.020 32.480 32.500 0.000 0.000 0.720 1568 K HN 0.180 nan 8.250 nan 0.000 0.450 1569 c N 0.866 119.478 118.600 0.020 0.000 2.697 1569 c HA 0.127 4.698 4.570 0.003 0.000 0.267 1569 c C 2.049 176.157 174.090 0.030 0.000 1.278 1569 c CA -0.523 55.812 56.329 0.010 0.000 1.708 1569 c CB -0.433 42.078 42.510 0.000 0.000 1.860 1569 c HN 0.570 nan 8.230 nan 0.000 0.589 1570 Q N 2.765 122.600 119.800 0.060 0.000 2.012 1570 Q HA -0.261 4.081 4.340 0.003 0.000 0.211 1570 Q C 2.366 178.400 176.000 0.057 0.000 1.009 1570 Q CA 2.771 58.629 55.803 0.091 0.000 0.866 1570 Q CB -0.212 28.561 28.738 0.059 0.000 0.945 1570 Q HN 0.727 nan 8.270 nan 0.000 0.414 1571 E N -0.666 119.547 120.200 0.022 0.000 2.216 1571 E HA -0.075 4.277 4.350 0.003 0.000 0.192 1571 E C 1.608 178.197 176.600 -0.018 0.000 0.988 1571 E CA 1.283 57.687 56.400 0.005 0.000 0.834 1571 E CB -0.377 29.323 29.700 -0.001 0.000 0.772 1571 E HN 0.388 nan 8.360 nan 0.000 0.479 1572 A N 1.110 123.912 122.820 -0.030 0.000 2.072 1572 A HA 0.150 4.472 4.320 0.003 0.000 0.216 1572 A C 2.365 179.896 177.584 -0.088 0.000 1.156 1572 A CA 0.421 52.424 52.037 -0.056 0.000 0.701 1572 A CB -0.310 18.655 19.000 -0.058 0.000 0.816 1572 A HN 0.240 nan 8.150 nan 0.000 0.458 1573 L N -1.641 119.526 121.223 -0.093 0.000 2.084 1573 L HA -0.012 4.330 4.340 0.003 0.000 0.202 1573 L C 1.124 177.911 176.870 -0.138 0.000 1.074 1573 L CA 0.907 55.648 54.840 -0.164 0.000 0.757 1573 L CB -0.256 41.659 42.059 -0.240 0.000 0.918 1573 L HN 0.533 nan 8.230 nan 0.000 0.444 1574 N N 0.182 118.843 118.700 -0.064 0.000 2.780 1574 N HA -0.169 4.573 4.740 0.003 0.000 0.248 1574 N C -0.359 175.152 175.510 0.002 0.000 1.102 1574 N CA 0.222 53.264 53.050 -0.014 0.000 0.697 1574 N CB -1.229 37.242 38.487 -0.027 0.000 1.028 1574 N HN 0.011 nan 8.380 nan 0.000 0.554 1575 L N -0.140 121.069 121.223 -0.023 0.000 2.476 1575 L HA 0.239 4.580 4.340 0.003 0.000 0.264 1575 L C 0.977 177.940 176.870 0.155 0.000 1.224 1575 L CA 0.848 55.682 54.840 -0.010 0.000 0.821 1575 L CB 0.460 42.415 42.059 -0.174 0.000 1.101 1575 L HN 0.386 nan 8.230 nan 0.000 0.488 1576 K N 0.036 120.578 120.400 0.237 0.000 2.502 1576 K HA 0.427 4.749 4.320 0.003 0.000 0.257 1576 K C -1.283 175.454 176.600 0.228 0.000 0.938 1576 K CA -0.691 55.720 56.287 0.206 0.000 0.819 1576 K CB 2.195 34.798 32.500 0.172 0.000 1.333 1576 K HN 0.225 nan 8.250 nan 0.000 0.434 1577 V N 4.371 124.383 119.914 0.163 0.000 2.763 1577 V HA -0.025 4.097 4.120 0.003 0.000 0.306 1577 V C 0.996 177.176 176.094 0.142 0.000 1.059 1577 V CA 0.372 62.760 62.300 0.146 0.000 1.138 1577 V CB 0.550 32.431 31.823 0.097 0.000 0.940 1577 V HN 1.101 nan 8.190 nan 0.000 0.489 1578 N N 0.821 119.611 118.700 0.149 0.000 2.936 1578 N HA -0.150 4.592 4.740 0.003 0.000 0.236 1578 N C 0.154 175.780 175.510 0.194 0.000 0.930 1578 N CA 1.142 54.277 53.050 0.143 0.000 0.966 1578 N CB -0.409 38.130 38.487 0.086 0.000 1.090 1578 N HN 0.820 nan 8.380 nan 0.000 0.592 1579 D N 1.246 121.747 120.400 0.168 0.000 2.329 1579 D HA 0.237 4.879 4.640 0.003 0.000 0.246 1579 D C 0.120 176.308 176.300 -0.188 0.000 1.111 1579 D CA 0.271 54.275 54.000 0.006 0.000 0.941 1579 D CB 0.652 41.377 40.800 -0.125 0.000 1.169 1579 D HN 0.015 nan 8.370 nan 0.000 0.441 1580 D N 0.135 120.260 120.400 -0.459 0.000 2.229 1580 D HA 0.391 5.033 4.640 0.003 0.000 0.249 1580 D C -0.651 175.296 176.300 -0.589 0.000 1.027 1580 D CA -0.030 53.729 54.000 -0.401 0.000 0.923 1580 D CB 0.743 41.253 40.800 -0.483 0.000 1.174 1580 D HN 0.237 nan 8.370 nan 0.000 0.443 1581 Y N -0.065 120.280 120.300 0.074 0.000 2.441 1581 Y HA 0.252 4.804 4.550 0.003 0.000 0.334 1581 Y C -0.491 175.538 175.900 0.215 0.000 1.061 1581 Y CA -1.217 56.980 58.100 0.162 0.000 1.032 1581 Y CB 1.528 40.013 38.460 0.041 0.000 1.266 1581 Y HN 0.142 nan 8.280 nan 0.000 0.441 1582 L N 5.384 126.914 121.223 0.511 0.000 2.433 1582 L HA 0.487 4.829 4.340 0.003 0.000 0.275 1582 L C -1.009 176.024 176.870 0.272 0.000 1.128 1582 L CA 0.325 55.404 54.840 0.399 0.000 0.875 1582 L CB -0.555 41.659 42.059 0.258 0.000 1.171 1582 L HN 0.461 nan 8.230 nan 0.000 0.463 1583 I N 5.252 125.919 120.570 0.162 0.000 2.569 1583 I HA 0.516 4.688 4.170 0.003 0.000 0.296 1583 I C -1.354 174.726 176.117 -0.062 0.000 1.028 1583 I CA -0.676 60.622 61.300 -0.004 0.000 1.082 1583 I CB 1.780 39.661 38.000 -0.198 0.000 1.264 1583 I HN 0.836 nan 8.210 nan 0.000 0.429 1584 W N 5.058 126.184 121.300 -0.291 0.000 3.544 1584 W HA 0.780 5.442 4.660 0.003 0.000 0.326 1584 W C -0.976 175.403 176.519 -0.233 0.000 1.137 1584 W CA -0.888 56.099 57.345 -0.596 0.000 1.252 1584 W CB 0.336 29.528 29.460 -0.447 0.000 1.302 1584 W HN 0.648 nan 8.180 nan 0.000 0.467 1585 G N 1.077 109.969 108.800 0.153 0.000 3.247 1585 G HA2 0.677 4.638 3.960 0.003 0.000 0.226 1585 G HA3 0.677 4.638 3.960 0.003 0.000 0.226 1585 G C -1.338 173.945 174.900 0.638 0.000 1.220 1585 G CA -0.723 44.673 45.100 0.494 0.000 0.875 1585 G HN 0.694 nan 8.290 nan 0.000 0.606 1586 S N -1.822 114.128 115.700 0.418 0.000 2.568 1586 S HA 0.463 4.935 4.470 0.003 0.000 0.293 1586 S C 1.043 175.655 174.600 0.020 0.000 1.089 1586 S CA -0.510 57.843 58.200 0.255 0.000 0.945 1586 S CB 2.025 65.320 63.200 0.160 0.000 1.077 1586 S HN 0.571 nan 8.310 nan 0.000 0.485 1587 R N 2.011 122.476 120.500 -0.058 0.000 2.159 1587 R HA -0.004 4.338 4.340 0.003 0.000 0.237 1587 R C 1.965 178.133 176.300 -0.221 0.000 1.131 1587 R CA 2.183 58.135 56.100 -0.246 0.000 0.982 1587 R CB -0.909 29.314 30.300 -0.128 0.000 0.868 1587 R HN 0.606 nan 8.270 nan 0.000 0.453 1588 S N 0.741 116.394 115.700 -0.078 0.000 2.392 1588 S HA -0.151 4.321 4.470 0.003 0.000 0.232 1588 S C 0.618 175.179 174.600 -0.066 0.000 1.041 1588 S CA 1.738 59.926 58.200 -0.019 0.000 1.026 1588 S CB -0.250 63.006 63.200 0.094 0.000 0.845 1588 S HN 0.460 nan 8.310 nan 0.000 0.465 1589 D N 0.671 121.001 120.400 -0.117 0.000 2.336 1589 D HA 0.241 4.882 4.640 0.003 0.000 0.228 1589 D C 0.319 176.473 176.300 -0.244 0.000 1.120 1589 D CA -0.063 53.875 54.000 -0.104 0.000 0.839 1589 D CB -0.222 40.583 40.800 0.010 0.000 0.932 1589 D HN 0.329 nan 8.370 nan 0.000 0.509 1590 L N 0.519 121.497 121.223 -0.408 0.000 2.476 1590 L HA 0.257 4.599 4.340 0.003 0.000 0.255 1590 L C -0.193 176.569 176.870 -0.180 0.000 1.218 1590 L CA -0.202 54.373 54.840 -0.442 0.000 0.819 1590 L CB 0.999 42.779 42.059 -0.464 0.000 1.119 1590 L HN -0.031 nan 8.230 nan 0.000 0.485 1591 L N 3.469 124.625 121.223 -0.111 0.000 2.595 1591 L HA 0.385 4.727 4.340 0.003 0.000 0.259 1591 L C -2.419 174.425 176.870 -0.044 0.000 1.033 1591 L CA -1.576 53.230 54.840 -0.057 0.000 0.901 1591 L CB 1.655 43.701 42.059 -0.023 0.000 1.151 1591 L HN 0.417 nan 8.230 nan 0.000 0.453 1592 P HA -0.005 nan 4.420 nan 0.000 0.247 1592 P C -0.622 176.664 177.300 -0.023 0.000 1.141 1592 P CA 0.923 64.002 63.100 -0.036 0.000 0.858 1592 P CB 0.309 31.990 31.700 -0.032 0.000 0.804 1593 T N 2.761 117.302 114.554 -0.022 0.000 2.938 1593 T HA 0.336 4.688 4.350 0.003 0.000 0.285 1593 T C 0.143 174.836 174.700 -0.012 0.000 1.028 1593 T CA -0.762 61.329 62.100 -0.014 0.000 1.005 1593 T CB 0.910 69.770 68.868 -0.014 0.000 1.157 1593 T HN -0.036 nan 8.240 nan 0.000 0.550 1594 K N 2.489 122.886 120.400 -0.006 0.000 2.228 1594 K HA 0.166 4.488 4.320 0.003 0.000 0.284 1594 K C -0.644 175.954 176.600 -0.003 0.000 1.088 1594 K CA -0.066 56.219 56.287 -0.004 0.000 0.941 1594 K CB -0.833 31.667 32.500 -0.000 0.000 1.158 1594 K HN 0.452 nan 8.250 nan 0.000 0.438 1595 D N 3.407 123.804 120.400 -0.005 0.000 2.810 1595 D HA -0.254 4.387 4.640 0.003 0.000 0.224 1595 D C -1.014 175.286 176.300 -0.000 0.000 1.222 1595 D CA 1.216 55.214 54.000 -0.002 0.000 0.698 1595 D CB -0.912 39.889 40.800 0.002 0.000 0.961 1595 D HN 0.728 nan 8.370 nan 0.000 0.403 1596 K N -0.917 119.478 120.400 -0.009 0.000 2.594 1596 K HA 0.307 4.629 4.320 0.003 0.000 0.262 1596 K C -0.823 175.750 176.600 -0.045 0.000 0.954 1596 K CA -0.881 55.397 56.287 -0.015 0.000 0.917 1596 K CB 1.030 33.528 32.500 -0.002 0.000 1.343 1596 K HN 0.130 nan 8.250 nan 0.000 0.428 1597 I N 2.853 123.367 120.570 -0.094 0.000 2.337 1597 I HA 0.221 4.393 4.170 0.003 0.000 0.291 1597 I C -0.893 175.112 176.117 -0.186 0.000 1.046 1597 I CA 0.231 61.440 61.300 -0.151 0.000 1.324 1597 I CB 0.717 38.540 38.000 -0.295 0.000 1.409 1597 I HN 0.828 nan 8.210 nan 0.000 0.494 1598 S N 6.556 122.219 115.700 -0.062 0.000 2.542 1598 S HA 0.677 5.149 4.470 0.003 0.000 0.293 1598 S C -1.060 173.632 174.600 0.154 0.000 1.089 1598 S CA -0.727 57.440 58.200 -0.054 0.000 0.961 1598 S CB 1.720 64.901 63.200 -0.031 0.000 1.062 1598 S HN 0.548 nan 8.310 nan 0.000 0.483 1599 Y N 0.803 120.879 120.300 -0.373 0.000 2.621 1599 Y HA 0.699 5.250 4.550 0.003 0.000 0.334 1599 Y C 0.128 175.986 175.900 -0.069 0.000 1.074 1599 Y CA -2.303 55.653 58.100 -0.240 0.000 1.149 1599 Y CB 0.906 39.193 38.460 -0.288 0.000 1.302 1599 Y HN 0.795 nan 8.280 nan 0.000 0.501 1600 I N 0.069 120.752 120.570 0.188 0.000 2.433 1600 I HA 0.558 4.729 4.170 0.003 0.000 0.292 1600 I C -1.051 175.185 176.117 0.199 0.000 1.001 1600 I CA -0.920 60.478 61.300 0.164 0.000 1.119 1600 I CB 1.300 39.356 38.000 0.094 0.000 1.289 1600 I HN 0.192 nan 8.210 nan 0.000 0.438 1601 I N 5.494 126.178 120.570 0.191 0.000 2.533 1601 I HA 0.277 4.449 4.170 0.003 0.000 0.284 1601 I C 0.972 177.126 176.117 0.062 0.000 1.109 1601 I CA 0.750 62.130 61.300 0.133 0.000 1.412 1601 I CB 0.820 38.847 38.000 0.044 0.000 1.396 1601 I HN 0.858 nan 8.210 nan 0.000 0.543 1602 T N 1.793 116.375 114.554 0.047 0.000 2.926 1602 T HA 0.425 4.777 4.350 0.003 0.000 0.289 1602 T C 0.363 175.048 174.700 -0.025 0.000 1.054 1602 T CA -1.164 60.945 62.100 0.015 0.000 1.015 1602 T CB 1.337 70.225 68.868 0.034 0.000 1.167 1602 T HN 0.638 nan 8.240 nan 0.000 0.526 1603 K N 0.766 121.142 120.400 -0.039 0.000 2.942 1603 K HA 0.034 4.356 4.320 0.003 0.000 0.249 1603 K C 0.614 177.191 176.600 -0.038 0.000 0.911 1603 K CA 0.957 57.210 56.287 -0.057 0.000 1.100 1603 K CB -0.847 31.616 32.500 -0.063 0.000 0.952 1603 K HN 0.700 nan 8.250 nan 0.000 0.467 1604 N N -0.723 117.965 118.700 -0.020 0.000 1.862 1604 N HA -0.053 4.689 4.740 0.003 0.000 0.235 1604 N C -0.964 174.566 175.510 0.033 0.000 1.398 1604 N CA -0.178 52.881 53.050 0.016 0.000 0.779 1604 N CB 1.023 39.518 38.487 0.014 0.000 1.086 1604 N HN 0.014 nan 8.380 nan 0.000 0.490 1605 T N 1.331 115.898 114.554 0.021 0.000 2.728 1605 T HA 0.169 4.521 4.350 0.003 0.000 0.296 1605 T C -1.527 173.107 174.700 -0.109 0.000 0.940 1605 T CA -0.320 61.792 62.100 0.020 0.000 1.013 1605 T CB 0.154 69.106 68.868 0.140 0.000 0.912 1605 T HN 0.242 nan 8.240 nan 0.000 0.484 1606 W N 7.302 128.263 121.300 -0.566 0.000 2.361 1606 W HA 0.573 5.235 4.660 0.003 0.000 0.309 1606 W C -1.834 174.317 176.519 -0.613 0.000 1.122 1606 W CA -1.871 55.027 57.345 -0.744 0.000 1.208 1606 W CB 0.001 28.626 29.460 -1.391 0.000 1.246 1606 W HN 0.386 nan 8.180 nan 0.000 0.490 1607 I N 3.802 124.287 120.570 -0.140 0.000 2.689 1607 I HA 0.545 4.716 4.170 0.003 0.000 0.299 1607 I C -0.512 175.617 176.117 0.021 0.000 1.059 1607 I CA -1.295 59.988 61.300 -0.029 0.000 1.055 1607 I CB 2.022 39.871 38.000 -0.252 0.000 1.243 1607 I HN 0.444 nan 8.210 nan 0.000 0.425 1608 E N 1.833 122.205 120.200 0.287 0.000 2.392 1608 E HA 0.501 4.852 4.350 0.003 0.000 0.279 1608 E C -1.265 175.617 176.600 0.469 0.000 0.964 1608 E CA -1.134 55.478 56.400 0.353 0.000 0.777 1608 E CB 2.165 32.144 29.700 0.465 0.000 1.249 1608 E HN 0.540 nan 8.360 nan 0.000 0.449 1609 R N 2.804 123.495 120.500 0.318 0.000 2.351 1609 R HA 0.068 4.410 4.340 0.003 0.000 0.318 1609 R C -1.052 175.271 176.300 0.040 0.000 1.055 1609 R CA -0.111 56.021 56.100 0.053 0.000 0.968 1609 R CB 0.313 30.606 30.300 -0.011 0.000 0.974 1609 R HN 0.403 nan 8.270 nan 0.000 0.439 1610 W N 9.795 130.959 121.300 -0.227 0.000 2.292 1610 W HA 0.311 4.973 4.660 0.003 0.000 0.352 1610 W C -2.411 173.786 176.519 -0.538 0.000 0.962 1610 W CA -3.085 54.117 57.345 -0.238 0.000 1.496 1610 W CB 0.816 30.291 29.460 0.024 0.000 1.381 1610 W HN 0.566 nan 8.180 nan 0.000 0.363 1611 P HA -0.151 nan 4.420 nan 0.000 0.260 1611 P C 0.320 177.468 177.300 -0.254 0.000 1.172 1611 P CA 1.018 63.695 63.100 -0.704 0.000 0.760 1611 P CB 0.344 31.245 31.700 -1.332 0.000 0.773 1612 H N 2.010 120.978 119.070 -0.171 0.000 2.913 1612 H HA -0.050 4.508 4.556 0.003 0.000 0.365 1612 H C 1.485 176.806 175.328 -0.013 0.000 1.155 1612 H CA 0.674 56.698 56.048 -0.040 0.000 1.417 1612 H CB 0.695 30.436 29.762 -0.036 0.000 1.386 1612 H HN 0.595 nan 8.280 nan 0.000 0.614 1613 E N 1.457 121.786 120.200 0.215 0.000 2.097 1613 E HA -0.202 4.149 4.350 0.003 0.000 0.196 1613 E C 0.867 177.528 176.600 0.102 0.000 1.000 1613 E CA 1.483 57.962 56.400 0.133 0.000 0.804 1613 E CB 0.245 30.019 29.700 0.123 0.000 0.740 1613 E HN 0.600 nan 8.360 nan 0.000 0.454 1614 D N 0.613 121.074 120.400 0.103 0.000 2.095 1614 D HA -0.200 4.441 4.640 0.003 0.000 0.192 1614 D C 1.738 178.098 176.300 0.100 0.000 0.990 1614 D CA 1.232 55.275 54.000 0.071 0.000 0.836 1614 D CB -0.632 40.187 40.800 0.032 0.000 0.979 1614 D HN 0.287 nan 8.370 nan 0.000 0.447 1615 E N 0.181 120.468 120.200 0.144 0.000 2.312 1615 E HA -0.256 4.095 4.350 0.003 0.000 0.209 1615 E C 2.187 178.934 176.600 0.245 0.000 1.047 1615 E CA 0.933 57.495 56.400 0.269 0.000 0.840 1615 E CB -0.305 29.583 29.700 0.313 0.000 0.738 1615 E HN 0.248 nan 8.360 nan 0.000 0.478 1616 c N 1.001 119.672 118.600 0.119 0.000 2.363 1616 c HA -0.231 4.341 4.570 0.003 0.000 0.274 1616 c C 2.561 176.706 174.090 0.091 0.000 1.183 1616 c CA 1.354 57.731 56.329 0.081 0.000 1.771 1616 c CB -0.892 41.648 42.510 0.051 0.000 2.059 1616 c HN 0.531 nan 8.230 nan 0.000 0.455 1617 Q N 0.762 120.608 119.800 0.077 0.000 2.234 1617 Q HA -0.100 4.241 4.340 0.003 0.000 0.206 1617 Q C 0.844 176.875 176.000 0.052 0.000 0.980 1617 Q CA 1.016 56.851 55.803 0.052 0.000 0.869 1617 Q CB -0.525 28.236 28.738 0.039 0.000 0.912 1617 Q HN 0.769 nan 8.270 nan 0.000 0.436 1618 E N 0.913 121.160 120.200 0.079 0.000 2.410 1618 E HA -0.025 4.327 4.350 0.003 0.000 0.255 1618 E C 0.899 177.507 176.600 0.014 0.000 1.194 1618 E CA -0.113 56.304 56.400 0.029 0.000 0.955 1618 E CB 0.519 30.217 29.700 -0.004 0.000 0.988 1618 E HN 0.201 nan 8.360 nan 0.000 0.461 1619 E N 1.069 121.240 120.200 -0.049 0.000 2.086 1619 E HA -0.178 4.174 4.350 0.003 0.000 0.190 1619 E C 1.693 178.252 176.600 -0.068 0.000 0.975 1619 E CA 0.611 56.984 56.400 -0.046 0.000 0.813 1619 E CB 0.129 29.795 29.700 -0.058 0.000 0.768 1619 E HN 0.570 nan 8.360 nan 0.000 0.457 1620 E N -1.234 118.846 120.200 -0.199 0.000 2.455 1620 E HA -0.167 4.184 4.350 0.003 0.000 0.202 1620 E C 0.757 177.310 176.600 -0.078 0.000 1.045 1620 E CA 0.944 57.162 56.400 -0.303 0.000 0.872 1620 E CB 0.090 29.370 29.700 -0.700 0.000 0.792 1620 E HN 0.420 nan 8.360 nan 0.000 0.542 1621 F N -1.574 118.351 119.950 -0.042 0.000 2.675 1621 F HA -0.010 4.519 4.527 0.003 0.000 0.315 1621 F C 2.167 177.914 175.800 -0.089 0.000 0.888 1621 F CA -0.291 57.665 58.000 -0.074 0.000 1.100 1621 F CB 0.060 39.019 39.000 -0.068 0.000 0.908 1621 F HN -0.081 nan 8.300 nan 0.000 0.657 1622 Q N 1.168 121.053 119.800 0.141 0.000 2.142 1622 Q HA -0.281 4.061 4.340 0.003 0.000 0.213 1622 Q C 1.494 177.501 176.000 0.012 0.000 1.004 1622 Q CA 1.541 57.377 55.803 0.054 0.000 0.883 1622 Q CB -0.645 28.116 28.738 0.038 0.000 0.939 1622 Q HN 0.202 nan 8.270 nan 0.000 0.413 1623 K N 0.957 121.372 120.400 0.025 0.000 2.009 1623 K HA -0.107 4.215 4.320 0.003 0.000 0.210 1623 K C 2.096 178.678 176.600 -0.029 0.000 1.049 1623 K CA 0.937 57.228 56.287 0.007 0.000 0.929 1623 K CB -0.899 31.613 32.500 0.020 0.000 0.714 1623 K HN 0.162 nan 8.250 nan 0.000 0.440 1624 L N 1.091 122.273 121.223 -0.067 0.000 1.989 1624 L HA -0.240 4.102 4.340 0.003 0.000 0.211 1624 L C 2.455 179.086 176.870 -0.397 0.000 1.071 1624 L CA 1.578 56.278 54.840 -0.234 0.000 0.749 1624 L CB -0.787 41.037 42.059 -0.392 0.000 0.890 1624 L HN 0.209 nan 8.230 nan 0.000 0.431 1625 c N -0.730 117.657 118.600 -0.354 0.000 2.353 1625 c HA -0.300 4.272 4.570 0.003 0.000 0.272 1625 c C 2.635 176.637 174.090 -0.147 0.000 1.165 1625 c CA 1.421 57.577 56.329 -0.288 0.000 1.786 1625 c CB -0.989 41.450 42.510 -0.118 0.000 2.071 1625 c HN 0.649 nan 8.230 nan 0.000 0.451 1626 D N 0.122 120.483 120.400 -0.066 0.000 2.081 1626 D HA -0.139 4.502 4.640 0.003 0.000 0.194 1626 D C 1.598 177.923 176.300 0.041 0.000 0.986 1626 D CA 1.677 55.677 54.000 0.000 0.000 0.837 1626 D CB -0.409 40.395 40.800 0.008 0.000 0.985 1626 D HN 0.463 nan 8.370 nan 0.000 0.448 1627 D N 0.074 120.505 120.400 0.051 0.000 2.160 1627 D HA -0.217 4.425 4.640 0.003 0.000 0.189 1627 D C 2.121 178.506 176.300 0.142 0.000 1.003 1627 D CA 0.931 54.990 54.000 0.098 0.000 0.846 1627 D CB -0.848 40.017 40.800 0.109 0.000 0.949 1627 D HN 0.264 nan 8.370 nan 0.000 0.446 1628 F N 1.502 121.294 119.950 -0.263 0.000 2.000 1628 F HA -0.203 4.326 4.527 0.003 0.000 0.296 1628 F C 2.760 178.490 175.800 -0.118 0.000 1.159 1628 F CA 0.942 58.692 58.000 -0.417 0.000 1.183 1628 F CB -1.393 36.983 39.000 -1.039 0.000 0.959 1628 F HN -0.034 nan 8.300 nan 0.000 0.490 1629 A N -0.707 122.204 122.820 0.151 0.000 1.985 1629 A HA -0.369 3.953 4.320 0.003 0.000 0.223 1629 A C 2.205 179.935 177.584 0.244 0.000 1.189 1629 A CA 2.487 54.661 52.037 0.230 0.000 0.658 1629 A CB -1.197 17.898 19.000 0.159 0.000 0.820 1629 A HN 0.622 nan 8.150 nan 0.000 0.464 1630 Q N -1.914 118.003 119.800 0.194 0.000 2.062 1630 Q HA -0.107 4.235 4.340 0.003 0.000 0.196 1630 Q C 1.934 178.075 176.000 0.236 0.000 0.967 1630 Q CA 1.386 57.307 55.803 0.198 0.000 0.832 1630 Q CB -0.256 28.561 28.738 0.132 0.000 0.899 1630 Q HN 0.732 nan 8.270 nan 0.000 0.442 1631 F N 0.693 120.665 119.950 0.036 0.000 2.043 1631 F HA -0.280 4.248 4.527 0.003 0.000 0.297 1631 F C 2.485 178.301 175.800 0.026 0.000 1.121 1631 F CA 1.879 59.868 58.000 -0.020 0.000 1.199 1631 F CB -0.752 38.167 39.000 -0.135 0.000 0.968 1631 F HN 0.107 nan 8.300 nan 0.000 0.478 1632 S N -0.295 115.681 115.700 0.461 0.000 2.404 1632 S HA -0.385 4.086 4.470 0.003 0.000 0.230 1632 S C 1.956 176.650 174.600 0.157 0.000 1.046 1632 S CA 1.945 60.348 58.200 0.338 0.000 1.135 1632 S CB -1.259 62.279 63.200 0.564 0.000 1.056 1632 S HN 0.656 nan 8.310 nan 0.000 0.426 1633 Y N 1.763 122.134 120.300 0.118 0.000 2.102 1633 Y HA -0.190 4.361 4.550 0.003 0.000 0.280 1633 Y C 2.666 178.607 175.900 0.070 0.000 1.178 1633 Y CA 2.437 60.584 58.100 0.078 0.000 1.146 1633 Y CB -1.134 37.388 38.460 0.103 0.000 0.968 1633 Y HN 0.311 nan 8.280 nan 0.000 0.504 1634 T N 1.131 115.778 114.554 0.154 0.000 2.622 1634 T HA -0.238 4.113 4.350 0.003 0.000 0.266 1634 T C 2.037 176.738 174.700 0.002 0.000 1.047 1634 T CA 1.841 64.018 62.100 0.128 0.000 1.159 1634 T CB -0.681 68.213 68.868 0.044 0.000 0.863 1634 T HN 0.333 nan 8.240 nan 0.000 0.422 1635 L N 0.422 121.487 121.223 -0.263 0.000 1.994 1635 L HA -0.137 4.205 4.340 0.003 0.000 0.208 1635 L C 2.872 179.609 176.870 -0.222 0.000 1.071 1635 L CA 1.520 56.169 54.840 -0.318 0.000 0.745 1635 L CB -0.808 40.894 42.059 -0.594 0.000 0.892 1635 L HN 0.345 nan 8.230 nan 0.000 0.431 1636 T N -1.087 113.338 114.554 -0.215 0.000 2.803 1636 T HA -0.210 4.142 4.350 0.003 0.000 0.269 1636 T C 1.334 175.862 174.700 -0.286 0.000 1.052 1636 T CA 1.258 63.249 62.100 -0.182 0.000 1.136 1636 T CB -0.124 68.677 68.868 -0.112 0.000 0.864 1636 T HN 0.357 nan 8.240 nan 0.000 0.467 1637 E N -0.409 119.516 120.200 -0.459 0.000 2.499 1637 E HA 0.290 4.642 4.350 0.003 0.000 0.199 1637 E C -0.988 174.890 176.600 -1.204 0.000 1.016 1637 E CA -0.184 55.731 56.400 -0.808 0.000 0.933 1637 E CB 0.419 29.460 29.700 -1.099 0.000 1.050 1637 E HN 0.421 nan 8.360 nan 0.000 0.462 1638 F N -1.509 118.309 119.950 -0.220 0.000 2.688 1638 F HA 0.336 4.865 4.527 0.003 0.000 0.308 1638 F C 0.982 176.691 175.800 -0.150 0.000 1.117 1638 F CA -1.386 56.518 58.000 -0.160 0.000 0.976 1638 F CB 0.462 39.377 39.000 -0.141 0.000 1.291 1638 F HN -0.140 nan 8.300 nan 0.000 0.439 1639 G N 0.048 108.896 108.800 0.079 0.000 2.224 1639 G HA2 0.139 4.100 3.960 0.003 0.000 0.357 1639 G HA3 0.139 4.100 3.960 0.003 0.000 0.357 1639 G C -0.658 174.221 174.900 -0.035 0.000 1.436 1639 G CA -0.098 45.001 45.100 -0.002 0.000 1.070 1639 G HN 0.763 nan 8.290 nan 0.000 0.556 1640 c N 0.462 119.032 118.600 -0.050 0.000 2.376 1640 c HA 0.491 5.063 4.570 0.003 0.000 0.335 1640 c C -0.583 173.470 174.090 -0.061 0.000 1.229 1640 c CA -0.677 55.607 56.329 -0.075 0.000 1.867 1640 c CB 1.524 43.987 42.510 -0.078 0.000 2.319 1640 c HN 0.568 nan 8.230 nan 0.000 0.515 1641 P HA -0.123 nan 4.420 nan 0.000 0.203 1641 P C 0.871 178.142 177.300 -0.049 0.000 1.087 1641 P CA 1.593 64.653 63.100 -0.067 0.000 0.952 1641 P CB -0.404 31.255 31.700 -0.069 0.000 0.758 1642 T N 0.000 114.528 114.554 -0.043 0.000 3.816 1642 T HA 0.000 4.352 4.350 0.003 0.000 0.228 1642 T CA 0.000 62.081 62.100 -0.031 0.000 1.349 1642 T CB 0.000 68.853 68.868 -0.026 0.000 0.612 1642 T HN 0.000 nan 8.240 nan 0.000 0.658