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_D 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 0.000 177.354 177.584 -0.383 0.000 1.274 23 A CA 0.000 51.882 52.037 -0.259 0.000 0.836 23 A CB 0.000 18.923 19.000 -0.128 0.000 0.831 24 L N 1.609 122.590 121.223 -0.404 0.000 2.294 24 L HA 0.749 5.089 4.340 -0.000 0.000 0.283 24 L C -1.720 174.967 176.870 -0.305 0.000 1.015 24 L CA -1.019 53.656 54.840 -0.275 0.000 0.831 24 L CB 0.404 42.406 42.059 -0.095 0.000 1.217 24 L HN 0.196 nan 8.230 nan 0.000 0.420 25 Y N 2.634 122.985 120.300 0.085 0.000 2.328 25 Y HA 0.630 5.180 4.550 -0.000 0.000 0.337 25 Y C 0.731 176.675 175.900 0.074 0.000 1.008 25 Y CA -0.756 57.390 58.100 0.076 0.000 1.129 25 Y CB 1.551 40.035 38.460 0.041 0.000 1.185 25 Y HN 0.644 nan 8.280 nan 0.000 0.476 26 T N 1.638 116.337 114.554 0.242 0.000 2.856 26 T HA 0.667 5.017 4.350 -0.000 0.000 0.283 26 T C -1.230 173.559 174.700 0.148 0.000 1.008 26 T CA -0.843 61.358 62.100 0.167 0.000 0.997 26 T CB 1.633 70.621 68.868 0.200 0.000 0.992 26 T HN 0.440 nan 8.240 nan 0.000 0.454 27 L N 3.702 124.991 121.223 0.109 0.000 2.372 27 L HA 0.682 5.022 4.340 -0.000 0.000 0.273 27 L C -1.430 175.506 176.870 0.110 0.000 0.989 27 L CA -0.918 53.980 54.840 0.097 0.000 0.841 27 L CB 0.874 42.972 42.059 0.065 0.000 1.225 27 L HN 0.781 nan 8.230 nan 0.000 0.414 28 I N 4.666 125.324 120.570 0.146 0.000 2.389 28 I HA 0.537 4.707 4.170 -0.000 0.000 0.288 28 I C 0.070 176.251 176.117 0.106 0.000 0.999 28 I CA -0.411 60.995 61.300 0.178 0.000 1.129 28 I CB 1.899 40.075 38.000 0.294 0.000 1.288 28 I HN 0.705 nan 8.210 nan 0.000 0.444 29 T N 3.115 117.708 114.554 0.065 0.000 2.907 29 T HA 0.615 4.965 4.350 -0.000 0.000 0.290 29 T C -2.917 171.780 174.700 -0.004 0.000 1.066 29 T CA -2.578 59.531 62.100 0.015 0.000 1.012 29 T CB 2.092 70.945 68.868 -0.025 0.000 1.184 29 T HN 0.111 nan 8.240 nan 0.000 0.522 30 P HA 0.272 nan 4.420 nan 0.000 0.268 30 P C 0.651 177.859 177.300 -0.153 0.000 1.205 30 P CA -0.177 62.881 63.100 -0.069 0.000 0.771 30 P CB 0.283 31.938 31.700 -0.075 0.000 0.858 31 A N 3.186 125.894 122.820 -0.187 0.000 1.978 31 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 31 A C 0.700 178.039 177.584 -0.407 0.000 1.170 31 A CA 1.635 53.525 52.037 -0.246 0.000 0.636 31 A CB -0.568 18.315 19.000 -0.195 0.000 0.810 31 A HN 0.441 nan 8.150 nan 0.000 0.448 32 V N 0.021 119.544 119.914 -0.653 0.000 2.577 32 V HA 0.454 4.574 4.120 -0.000 0.000 0.303 32 V C -0.808 174.977 176.094 -0.514 0.000 1.042 32 V CA -0.499 61.344 62.300 -0.761 0.000 0.872 32 V CB 1.562 32.501 31.823 -1.473 0.000 0.998 32 V HN 0.308 nan 8.190 nan 0.000 0.423 33 L N 4.930 125.981 121.223 -0.286 0.000 2.282 33 L HA 0.596 4.936 4.340 -0.000 0.000 0.288 33 L C 0.424 177.238 176.870 -0.093 0.000 1.033 33 L CA -0.546 54.201 54.840 -0.155 0.000 0.807 33 L CB 1.370 43.348 42.059 -0.134 0.000 1.209 33 L HN 0.533 nan 8.230 nan 0.000 0.423 34 R N 1.891 122.371 120.500 -0.033 0.000 2.242 34 R HA 0.219 4.559 4.340 -0.000 0.000 0.334 34 R C 0.203 176.479 176.300 -0.040 0.000 1.071 34 R CA -0.443 55.646 56.100 -0.019 0.000 0.922 34 R CB 0.391 30.689 30.300 -0.005 0.000 1.023 34 R HN 0.659 nan 8.270 nan 0.000 0.458 35 T N -0.506 114.018 114.554 -0.049 0.000 2.791 35 T HA -0.059 4.291 4.350 -0.000 0.000 0.323 35 T C 0.531 175.225 174.700 -0.010 0.000 1.082 35 T CA -0.523 61.560 62.100 -0.027 0.000 1.084 35 T CB 0.405 69.260 68.868 -0.021 0.000 0.992 35 T HN 0.642 nan 8.240 nan 0.000 0.547 36 D N -0.233 120.170 120.400 0.004 0.000 2.903 36 D HA -0.141 4.499 4.640 -0.000 0.000 0.228 36 D C -0.201 176.089 176.300 -0.017 0.000 1.178 36 D CA 1.520 55.519 54.000 -0.001 0.000 0.740 36 D CB -1.286 39.510 40.800 -0.006 0.000 1.077 36 D HN 0.760 nan 8.370 nan 0.000 0.419 37 T N 0.015 114.557 114.554 -0.020 0.000 2.991 37 T HA 0.220 4.570 4.350 -0.000 0.000 0.303 37 T C -0.121 174.570 174.700 -0.015 0.000 1.015 37 T CA -0.693 61.387 62.100 -0.032 0.000 1.007 37 T CB 2.571 71.391 68.868 -0.081 0.000 1.034 37 T HN 0.026 nan 8.240 nan 0.000 0.446 38 E N 2.207 122.409 120.200 0.002 0.000 2.467 38 E HA 0.083 4.433 4.350 -0.000 0.000 0.264 38 E C -0.201 176.398 176.600 -0.002 0.000 1.020 38 E CA 0.518 56.927 56.400 0.015 0.000 0.945 38 E CB 0.521 30.240 29.700 0.031 0.000 0.942 38 E HN 0.438 nan 8.360 nan 0.000 0.449 39 E N 2.107 122.299 120.200 -0.013 0.000 2.413 39 E HA 0.215 4.565 4.350 -0.000 0.000 0.277 39 E C -1.266 175.321 176.600 -0.021 0.000 0.958 39 E CA -0.691 55.698 56.400 -0.018 0.000 0.779 39 E CB 2.038 31.711 29.700 -0.044 0.000 1.278 39 E HN 0.450 nan 8.360 nan 0.000 0.456 40 Q N 1.551 121.354 119.800 0.005 0.000 2.321 40 Q HA 0.534 4.874 4.340 -0.000 0.000 0.270 40 Q C -0.850 175.154 176.000 0.007 0.000 1.032 40 Q CA -0.589 55.222 55.803 0.013 0.000 0.784 40 Q CB 1.741 30.518 28.738 0.066 0.000 1.264 40 Q HN 0.519 nan 8.270 nan 0.000 0.448 41 I N 0.463 121.026 120.570 -0.013 0.000 2.530 41 I HA 0.540 4.710 4.170 -0.000 0.000 0.297 41 I C -1.224 174.910 176.117 0.028 0.000 1.011 41 I CA -1.350 59.952 61.300 0.002 0.000 1.107 41 I CB 1.371 39.356 38.000 -0.026 0.000 1.285 41 I HN 0.425 nan 8.210 nan 0.000 0.436 42 L N 6.841 128.099 121.223 0.058 0.000 2.265 42 L HA 0.607 4.947 4.340 -0.000 0.000 0.288 42 L C -0.920 176.002 176.870 0.087 0.000 1.058 42 L CA -0.119 54.767 54.840 0.076 0.000 0.809 42 L CB 1.307 43.432 42.059 0.109 0.000 1.179 42 L HN 0.573 nan 8.230 nan 0.000 0.429 43 V N 5.707 125.662 119.914 0.068 0.000 2.531 43 V HA 0.541 4.661 4.120 -0.000 0.000 0.301 43 V C -0.484 175.650 176.094 0.067 0.000 1.034 43 V CA -0.546 61.800 62.300 0.076 0.000 0.865 43 V CB 1.883 33.740 31.823 0.058 0.000 0.995 43 V HN 0.838 nan 8.190 nan 0.000 0.424 44 E N 2.971 123.225 120.200 0.089 0.000 2.288 44 E HA 0.792 5.142 4.350 -0.000 0.000 0.268 44 E C -0.866 175.765 176.600 0.052 0.000 0.885 44 E CA -0.898 55.506 56.400 0.008 0.000 0.767 44 E CB 2.624 32.282 29.700 -0.070 0.000 1.220 44 E HN 0.713 nan 8.360 nan 0.000 0.427 45 A N 2.933 125.740 122.820 -0.022 0.000 2.291 45 A HA 0.391 4.711 4.320 -0.000 0.000 0.311 45 A C -1.056 176.434 177.584 -0.157 0.000 1.224 45 A CA -0.667 51.389 52.037 0.032 0.000 0.821 45 A CB 0.436 19.578 19.000 0.237 0.000 1.172 45 A HN 0.555 nan 8.150 nan 0.000 0.494 46 H N 1.552 120.617 119.070 -0.009 0.000 2.556 46 H HA 0.430 4.986 4.556 -0.000 0.000 0.310 46 H C 0.934 176.215 175.328 -0.078 0.000 1.057 46 H CA 0.786 56.857 56.048 0.040 0.000 1.264 46 H CB 1.340 31.124 29.762 0.036 0.000 1.404 46 H HN 1.295 nan 8.280 nan 0.000 0.462 47 G N 3.760 112.599 108.800 0.065 0.000 2.460 47 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.259 47 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.259 47 G C -0.423 174.464 174.900 -0.022 0.000 0.959 47 G CA 0.395 45.487 45.100 -0.012 0.000 1.330 47 G HN 0.797 nan 8.290 nan 0.000 0.451 48 D N 0.460 120.869 120.400 0.015 0.000 3.198 48 D HA 0.164 4.804 4.640 -0.000 0.000 0.237 48 D C 1.063 177.397 176.300 0.056 0.000 1.468 48 D CA 0.170 54.196 54.000 0.043 0.000 0.948 48 D CB -0.330 40.525 40.800 0.091 0.000 1.479 48 D HN 0.141 nan 8.370 nan 0.000 0.611 49 S N 0.013 115.735 115.700 0.037 0.000 2.595 49 S HA 0.027 4.497 4.470 -0.000 0.000 0.235 49 S C 0.957 175.579 174.600 0.037 0.000 0.974 49 S CA 0.589 58.810 58.200 0.035 0.000 0.942 49 S CB -0.342 62.871 63.200 0.021 0.000 0.766 49 S HN 0.651 nan 8.310 nan 0.000 0.536 50 T N 1.304 115.885 114.554 0.045 0.000 2.743 50 T HA 0.430 4.780 4.350 -0.000 0.000 0.293 50 T C -2.698 172.031 174.700 0.048 0.000 0.945 50 T CA -2.421 59.704 62.100 0.042 0.000 1.030 50 T CB 0.933 69.825 68.868 0.040 0.000 0.912 50 T HN -0.152 nan 8.240 nan 0.000 0.483 51 P HA 0.149 nan 4.420 nan 0.000 0.275 51 P C -0.172 177.148 177.300 0.032 0.000 1.239 51 P CA -0.043 63.078 63.100 0.034 0.000 0.820 51 P CB 0.359 32.074 31.700 0.026 0.000 0.909 52 K N -0.292 120.124 120.400 0.026 0.000 2.615 52 K HA 0.377 4.697 4.320 -0.000 0.000 0.291 52 K C -1.238 175.371 176.600 0.015 0.000 1.017 52 K CA -0.701 55.595 56.287 0.016 0.000 0.882 52 K CB 1.725 34.230 32.500 0.009 0.000 1.522 52 K HN 0.312 nan 8.250 nan 0.000 0.412 53 Q N 2.257 122.063 119.800 0.010 0.000 2.374 53 Q HA 0.359 4.699 4.340 -0.000 0.000 0.250 53 Q C -1.582 174.431 176.000 0.021 0.000 0.918 53 Q CA -0.481 55.334 55.803 0.019 0.000 0.778 53 Q CB 1.513 30.265 28.738 0.022 0.000 1.328 53 Q HN 0.471 nan 8.270 nan 0.000 0.445 54 L N -0.729 120.512 121.223 0.030 0.000 2.354 54 L HA 0.734 5.074 4.340 -0.000 0.000 0.269 54 L C -0.634 176.286 176.870 0.082 0.000 1.005 54 L CA -1.166 53.697 54.840 0.038 0.000 0.819 54 L CB 1.693 43.760 42.059 0.014 0.000 1.311 54 L HN 0.219 nan 8.230 nan 0.000 0.423 55 D N 2.453 122.928 120.400 0.124 0.000 2.175 55 D HA 0.586 5.226 4.640 -0.000 0.000 0.248 55 D C -0.491 175.971 176.300 0.269 0.000 1.047 55 D CA -0.118 54.019 54.000 0.227 0.000 0.883 55 D CB 1.825 42.843 40.800 0.364 0.000 1.180 55 D HN 0.364 nan 8.370 nan 0.000 0.438 56 I N 0.965 121.691 120.570 0.260 0.000 2.389 56 I HA 0.480 4.650 4.170 -0.000 0.000 0.288 56 I C -0.823 175.426 176.117 0.220 0.000 0.999 56 I CA -0.648 60.778 61.300 0.210 0.000 1.129 56 I CB 0.204 38.244 38.000 0.066 0.000 1.288 56 I HN 0.244 nan 8.210 nan 0.000 0.444 57 F N 4.442 124.433 119.950 0.068 0.000 2.540 57 F HA 0.669 5.196 4.527 -0.000 0.000 0.317 57 F C -0.264 175.527 175.800 -0.015 0.000 1.104 57 F CA -0.746 57.285 58.000 0.052 0.000 0.913 57 F CB 2.477 41.565 39.000 0.147 0.000 1.170 57 F HN 0.162 nan 8.300 nan 0.000 0.450 58 V N 3.090 122.972 119.914 -0.053 0.000 2.577 58 V HA 0.504 4.624 4.120 -0.000 0.000 0.303 58 V C -0.833 175.123 176.094 -0.229 0.000 1.042 58 V CA -0.815 61.460 62.300 -0.043 0.000 0.872 58 V CB 1.707 33.514 31.823 -0.026 0.000 0.998 58 V HN 0.693 nan 8.190 nan 0.000 0.423 59 H N 2.418 121.594 119.070 0.176 0.000 2.690 59 H HA 0.350 4.906 4.556 -0.000 0.000 0.368 59 H C -0.833 174.593 175.328 0.163 0.000 1.150 59 H CA -0.692 55.455 56.048 0.165 0.000 1.174 59 H CB 2.464 32.329 29.762 0.172 0.000 1.684 59 H HN 0.926 nan 8.280 nan 0.000 0.538 60 D N 1.709 122.256 120.400 0.245 0.000 2.472 60 D HA -0.082 4.558 4.640 -0.000 0.000 0.237 60 D C -0.358 176.090 176.300 0.246 0.000 1.141 60 D CA 0.278 54.401 54.000 0.204 0.000 0.875 60 D CB 0.901 41.785 40.800 0.139 0.000 1.192 60 D HN 0.155 nan 8.370 nan 0.000 0.450 61 F N 2.293 122.313 119.950 0.117 0.000 2.422 61 F HA 0.276 4.803 4.527 0.000 0.000 0.333 61 F C -1.474 174.350 175.800 0.041 0.000 1.095 61 F CA -2.200 55.860 58.000 0.101 0.000 1.038 61 F CB 1.874 40.973 39.000 0.165 0.000 1.156 61 F HN 0.179 nan 8.300 nan 0.000 0.483 62 P HA 0.081 nan 4.420 nan 0.000 0.252 62 P C 0.745 177.715 177.300 -0.551 0.000 1.218 62 P CA 0.601 62.863 63.100 -1.396 0.000 0.807 62 P CB 0.234 31.131 31.700 -1.339 0.000 1.072 63 R N 1.688 122.037 120.500 -0.253 0.000 2.285 63 R HA -0.047 4.293 4.340 -0.000 0.000 0.213 63 R C 1.071 177.328 176.300 -0.071 0.000 1.068 63 R CA 0.825 56.842 56.100 -0.137 0.000 1.004 63 R CB -0.737 29.519 30.300 -0.073 0.000 0.873 63 R HN 0.268 nan 8.270 nan 0.000 0.467 64 K N 0.206 120.597 120.400 -0.016 0.000 3.003 64 K HA -0.336 3.984 4.320 -0.000 0.000 0.257 64 K C 0.323 176.954 176.600 0.051 0.000 0.958 64 K CA 1.508 57.813 56.287 0.030 0.000 0.707 64 K CB -1.636 30.793 32.500 -0.118 0.000 1.279 64 K HN 0.341 nan 8.250 nan 0.000 0.479 65 Q N 0.739 120.583 119.800 0.073 0.000 2.046 65 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 65 Q C 0.409 176.479 176.000 0.117 0.000 0.975 65 Q CA 1.987 57.830 55.803 0.067 0.000 0.836 65 Q CB 0.004 28.770 28.738 0.046 0.000 0.896 65 Q HN 0.782 nan 8.270 nan 0.000 0.428 66 K N -0.255 120.245 120.400 0.168 0.000 2.426 66 K HA 0.436 4.756 4.320 -0.000 0.000 0.251 66 K C -1.134 175.595 176.600 0.214 0.000 0.941 66 K CA -0.650 55.734 56.287 0.162 0.000 0.808 66 K CB 1.817 34.370 32.500 0.089 0.000 1.265 66 K HN -0.342 nan 8.250 nan 0.000 0.432 67 T N 3.709 118.346 114.554 0.138 0.000 2.776 67 T HA 0.082 4.432 4.350 -0.000 0.000 0.292 67 T C 1.127 175.767 174.700 -0.101 0.000 0.921 67 T CA -0.556 61.506 62.100 -0.063 0.000 1.038 67 T CB 0.127 68.977 68.868 -0.031 0.000 0.910 67 T HN 0.364 nan 8.240 nan 0.000 0.536 68 L N 2.551 123.712 121.223 -0.104 0.000 2.027 68 L HA 0.321 4.661 4.340 -0.000 0.000 0.206 68 L C 0.559 177.438 176.870 0.015 0.000 1.074 68 L CA 1.420 56.247 54.840 -0.022 0.000 0.745 68 L CB -0.822 41.247 42.059 0.017 0.000 0.898 68 L HN 0.640 nan 8.230 nan 0.000 0.433 69 F N -0.792 119.030 119.950 -0.214 0.000 2.596 69 F HA 0.468 4.995 4.527 -0.000 0.000 0.311 69 F C -0.520 175.071 175.800 -0.349 0.000 1.116 69 F CA -0.795 57.077 58.000 -0.215 0.000 0.957 69 F CB 1.374 40.292 39.000 -0.138 0.000 1.250 69 F HN -0.084 nan 8.300 nan 0.000 0.444 70 Q N 4.744 124.432 119.800 -0.187 0.000 2.305 70 Q HA 0.618 4.958 4.340 -0.000 0.000 0.271 70 Q C -1.768 174.135 176.000 -0.163 0.000 1.046 70 Q CA -0.375 55.243 55.803 -0.309 0.000 0.798 70 Q CB 2.712 31.037 28.738 -0.688 0.000 1.286 70 Q HN 0.854 nan 8.270 nan 0.000 0.435 71 T N 1.694 116.346 114.554 0.164 0.000 2.731 71 T HA 0.571 4.921 4.350 -0.000 0.000 0.300 71 T C -1.936 172.841 174.700 0.127 0.000 1.283 71 T CA -0.644 61.546 62.100 0.150 0.000 1.005 71 T CB 1.621 70.703 68.868 0.356 0.000 1.420 71 T HN 0.607 nan 8.240 nan 0.000 0.503 72 R N 1.386 121.945 120.500 0.099 0.000 2.574 72 R HA 0.734 5.074 4.340 -0.000 0.000 0.288 72 R C -2.080 174.262 176.300 0.071 0.000 1.004 72 R CA -0.501 55.651 56.100 0.087 0.000 0.895 72 R CB 1.353 31.694 30.300 0.069 0.000 1.191 72 R HN 0.441 nan 8.270 nan 0.000 0.444 73 V N 2.257 122.210 119.914 0.065 0.000 2.789 73 V HA 0.351 4.471 4.120 -0.000 0.000 0.311 73 V C -1.039 175.079 176.094 0.040 0.000 1.073 73 V CA -1.135 61.196 62.300 0.051 0.000 0.921 73 V CB 2.174 34.026 31.823 0.049 0.000 1.009 73 V HN 0.817 nan 8.190 nan 0.000 0.426 74 D N 3.393 123.813 120.400 0.034 0.000 2.256 74 D HA 0.539 5.179 4.640 -0.000 0.000 0.250 74 D C -0.248 176.069 176.300 0.027 0.000 1.093 74 D CA -0.304 53.713 54.000 0.029 0.000 0.882 74 D CB 1.431 42.247 40.800 0.026 0.000 1.185 74 D HN 0.647 nan 8.370 nan 0.000 0.437 75 M N 2.771 122.387 119.600 0.026 0.000 2.046 75 M HA 0.286 4.766 4.480 -0.000 0.000 0.309 75 M C -1.596 174.722 176.300 0.030 0.000 0.935 75 M CA -0.692 54.625 55.300 0.028 0.000 0.915 75 M CB 0.866 33.484 32.600 0.031 0.000 1.474 75 M HN 0.463 nan 8.290 nan 0.000 0.415 76 N N 5.611 124.327 118.700 0.027 0.000 2.471 76 N HA 0.617 5.357 4.740 -0.000 0.000 0.288 76 N C -2.589 172.938 175.510 0.029 0.000 1.220 76 N CA -1.743 51.324 53.050 0.028 0.000 0.893 76 N CB 0.814 39.316 38.487 0.024 0.000 1.256 76 N HN 0.323 nan 8.380 nan 0.000 0.534 77 P HA -0.111 nan 4.420 nan 0.000 0.218 77 P C 1.151 178.470 177.300 0.031 0.000 1.148 77 P CA 1.744 64.864 63.100 0.034 0.000 0.822 77 P CB -0.090 31.629 31.700 0.032 0.000 0.784 78 A N 0.923 123.758 122.820 0.025 0.000 1.873 78 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 78 A C 2.200 179.796 177.584 0.020 0.000 1.193 78 A CA 1.908 53.959 52.037 0.022 0.000 0.629 78 A CB -1.918 17.094 19.000 0.019 0.000 0.826 78 A HN 0.317 nan 8.150 nan 0.000 0.447 79 G N -1.424 107.386 108.800 0.016 0.000 3.353 79 G HA2 0.408 4.368 3.960 -0.000 0.000 0.247 79 G HA3 0.408 4.368 3.960 -0.000 0.000 0.247 79 G C 1.158 176.056 174.900 -0.003 0.000 1.025 79 G CA 0.435 45.539 45.100 0.008 0.000 1.863 79 G HN 1.583 nan 8.290 nan 0.000 0.635 80 G N 0.528 109.331 108.800 0.005 0.000 2.230 80 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.270 80 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.270 80 G C 0.970 175.866 174.900 -0.006 0.000 0.987 80 G CA 0.644 45.742 45.100 -0.003 0.000 0.664 80 G HN 1.023 nan 8.290 nan 0.000 0.539 81 M N -1.929 117.673 119.600 0.003 0.000 2.417 81 M HA -0.140 4.340 4.480 -0.000 0.000 0.205 81 M C 0.250 176.526 176.300 -0.039 0.000 0.452 81 M CA 1.754 57.057 55.300 0.004 0.000 0.512 81 M CB -2.197 30.423 32.600 0.033 0.000 1.774 81 M HN 1.527 nan 8.290 nan 0.000 0.874 82 L N -1.940 119.260 121.223 -0.039 0.000 2.600 82 L HA 1.055 5.395 4.340 -0.000 0.000 0.257 82 L C -0.905 175.959 176.870 -0.009 0.000 1.048 82 L CA -1.009 53.808 54.840 -0.039 0.000 0.869 82 L CB 2.593 44.599 42.059 -0.088 0.000 1.482 82 L HN 0.118 nan 8.230 nan 0.000 0.408 83 V N -2.182 117.736 119.914 0.006 0.000 3.087 83 V HA 0.703 4.823 4.120 -0.000 0.000 0.306 83 V C -0.170 175.938 176.094 0.024 0.000 1.187 83 V CA 0.248 62.559 62.300 0.017 0.000 0.999 83 V CB 1.491 33.328 31.823 0.024 0.000 1.049 83 V HN 0.958 nan 8.190 nan 0.000 0.431 84 T N -0.467 114.103 114.554 0.026 0.000 3.444 84 T HA 0.555 4.905 4.350 -0.000 0.000 0.265 84 T C -2.522 172.194 174.700 0.028 0.000 1.537 84 T CA -1.498 60.620 62.100 0.031 0.000 1.530 84 T CB 0.253 69.142 68.868 0.036 0.000 0.958 84 T HN 0.615 nan 8.240 nan 0.000 0.684 85 P HA 0.266 nan 4.420 nan 0.000 0.271 85 P C -0.209 177.079 177.300 -0.021 0.000 1.216 85 P CA -0.052 63.052 63.100 0.006 0.000 0.776 85 P CB 0.520 32.214 31.700 -0.010 0.000 0.881 86 T N 2.782 117.334 114.554 -0.003 0.000 2.753 86 T HA 0.545 4.895 4.350 -0.000 0.000 0.297 86 T C 0.453 175.100 174.700 -0.089 0.000 0.981 86 T CA -0.545 61.545 62.100 -0.016 0.000 0.956 86 T CB -0.226 68.670 68.868 0.046 0.000 0.936 86 T HN 0.095 nan 8.240 nan 0.000 0.463 87 I N 0.264 120.666 120.570 -0.282 0.000 3.062 87 I HA 0.716 4.886 4.170 -0.000 0.000 0.318 87 I C 0.351 176.387 176.117 -0.136 0.000 1.026 87 I CA -1.285 59.622 61.300 -0.656 0.000 1.096 87 I CB 0.588 38.030 38.000 -0.930 0.000 1.348 87 I HN 0.655 nan 8.210 nan 0.000 0.543 88 E N 1.714 121.961 120.200 0.077 0.000 2.640 88 E HA 0.374 4.724 4.350 -0.000 0.000 0.360 88 E C -1.493 175.230 176.600 0.205 0.000 1.014 88 E CA -0.241 56.256 56.400 0.162 0.000 0.757 88 E CB 0.896 30.710 29.700 0.190 0.000 1.565 88 E HN 0.604 nan 8.360 nan 0.000 0.381 89 I N 4.811 125.435 120.570 0.090 0.000 2.618 89 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 89 I C -2.101 174.047 176.117 0.052 0.000 1.146 89 I CA -1.537 59.807 61.300 0.073 0.000 1.425 89 I CB 0.637 38.648 38.000 0.019 0.000 1.383 89 I HN 0.276 nan 8.210 nan 0.000 0.562 90 P HA 0.190 nan 4.420 nan 0.000 0.293 90 P C -0.037 177.288 177.300 0.041 0.000 1.300 90 P CA -0.432 62.688 63.100 0.033 0.000 0.792 90 P CB 1.568 33.281 31.700 0.020 0.000 0.925 91 A N 3.855 126.705 122.820 0.051 0.000 2.172 91 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 91 A C 1.921 179.554 177.584 0.082 0.000 1.154 91 A CA 1.155 53.248 52.037 0.094 0.000 0.701 91 A CB -0.875 18.208 19.000 0.139 0.000 0.789 91 A HN 0.477 nan 8.150 nan 0.000 0.465 92 K N -0.363 120.063 120.400 0.043 0.000 2.442 92 K HA -0.087 4.233 4.320 -0.000 0.000 0.198 92 K C 0.853 177.471 176.600 0.029 0.000 1.042 92 K CA 1.104 57.405 56.287 0.023 0.000 0.958 92 K CB 0.103 32.606 32.500 0.005 0.000 0.766 92 K HN 0.354 nan 8.250 nan 0.000 0.474 93 E N -0.065 120.161 120.200 0.043 0.000 2.498 93 E HA 0.046 4.396 4.350 -0.000 0.000 0.203 93 E C -0.628 176.013 176.600 0.068 0.000 1.013 93 E CA 0.110 56.536 56.400 0.044 0.000 0.927 93 E CB 1.061 30.782 29.700 0.035 0.000 1.012 93 E HN -0.039 nan 8.360 nan 0.000 0.482 94 V N 2.934 122.907 119.914 0.098 0.000 2.353 94 V HA 0.042 4.162 4.120 -0.000 0.000 0.264 94 V C 1.391 177.572 176.094 0.144 0.000 1.049 94 V CA 0.042 62.428 62.300 0.143 0.000 0.896 94 V CB 0.993 32.949 31.823 0.222 0.000 1.025 94 V HN 0.117 nan 8.190 nan 0.000 0.475 95 S N 2.090 117.856 115.700 0.110 0.000 2.562 95 S HA -0.017 4.453 4.470 -0.000 0.000 0.221 95 S C 0.889 175.543 174.600 0.089 0.000 0.975 95 S CA -0.092 58.156 58.200 0.080 0.000 0.918 95 S CB -0.366 62.867 63.200 0.055 0.000 0.772 95 S HN 0.684 nan 8.310 nan 0.000 0.531 96 T N 2.854 117.494 114.554 0.143 0.000 2.813 96 T HA 0.261 4.611 4.350 -0.000 0.000 0.297 96 T C -0.262 174.483 174.700 0.075 0.000 1.036 96 T CA -0.294 61.893 62.100 0.146 0.000 1.044 96 T CB 0.578 69.586 68.868 0.233 0.000 0.993 96 T HN 0.203 nan 8.240 nan 0.000 0.535 97 D N -0.078 120.341 120.400 0.031 0.000 2.326 97 D HA 0.207 4.847 4.640 -0.000 0.000 0.251 97 D C 1.078 177.334 176.300 -0.073 0.000 1.023 97 D CA -0.484 53.471 54.000 -0.076 0.000 0.966 97 D CB 1.423 42.211 40.800 -0.021 0.000 1.156 97 D HN 0.489 nan 8.370 nan 0.000 0.494 98 S N 1.152 116.744 115.700 -0.180 0.000 2.653 98 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 98 S C 1.475 176.126 174.600 0.084 0.000 0.970 98 S CA 0.229 58.411 58.200 -0.031 0.000 0.947 98 S CB 0.055 63.214 63.200 -0.069 0.000 0.771 98 S HN 0.320 nan 8.310 nan 0.000 0.538 99 R N 2.029 122.567 120.500 0.064 0.000 2.236 99 R HA 0.129 4.469 4.340 -0.000 0.000 0.208 99 R C 0.720 177.074 176.300 0.090 0.000 1.036 99 R CA 0.818 56.958 56.100 0.068 0.000 1.001 99 R CB -0.098 30.230 30.300 0.047 0.000 0.896 99 R HN 0.856 nan 8.270 nan 0.000 0.464 100 Q N -1.275 118.598 119.800 0.121 0.000 2.391 100 Q HA 0.322 4.662 4.340 -0.000 0.000 0.279 100 Q C -1.519 174.583 176.000 0.171 0.000 1.028 100 Q CA -0.977 54.901 55.803 0.124 0.000 0.836 100 Q CB 0.775 29.564 28.738 0.085 0.000 1.414 100 Q HN -0.177 nan 8.270 nan 0.000 0.397 101 N N 2.654 121.457 118.700 0.171 0.000 2.400 101 N HA 0.059 4.799 4.740 -0.000 0.000 0.278 101 N C -1.120 174.551 175.510 0.268 0.000 1.247 101 N CA 0.239 53.430 53.050 0.236 0.000 0.970 101 N CB 0.745 39.404 38.487 0.287 0.000 1.312 101 N HN 0.498 nan 8.380 nan 0.000 0.488 102 Q N 1.826 121.776 119.800 0.250 0.000 2.256 102 Q HA 0.304 4.644 4.340 -0.000 0.000 0.254 102 Q C -0.853 175.383 176.000 0.394 0.000 0.916 102 Q CA -0.256 55.691 55.803 0.240 0.000 0.932 102 Q CB 0.737 29.588 28.738 0.188 0.000 1.207 102 Q HN 0.467 nan 8.270 nan 0.000 0.426 103 Y N 1.322 121.678 120.300 0.094 0.000 2.403 103 Y HA 0.672 5.222 4.550 -0.000 0.000 0.323 103 Y C -0.227 175.735 175.900 0.104 0.000 1.226 103 Y CA -1.301 56.831 58.100 0.053 0.000 1.235 103 Y CB 1.767 40.235 38.460 0.014 0.000 1.248 103 Y HN 0.342 nan 8.280 nan 0.000 0.489 104 V N 2.650 122.671 119.914 0.178 0.000 2.962 104 V HA 0.631 4.751 4.120 -0.000 0.000 0.313 104 V C -1.309 174.850 176.094 0.107 0.000 1.099 104 V CA -0.715 61.684 62.300 0.164 0.000 0.971 104 V CB 2.238 34.108 31.823 0.078 0.000 1.028 104 V HN 0.516 nan 8.190 nan 0.000 0.430 105 V N 4.188 124.210 119.914 0.181 0.000 2.448 105 V HA 0.738 4.858 4.120 -0.000 0.000 0.295 105 V C -0.295 175.887 176.094 0.147 0.000 1.025 105 V CA -0.711 61.683 62.300 0.157 0.000 0.859 105 V CB 1.093 33.090 31.823 0.290 0.000 0.988 105 V HN 0.618 nan 8.190 nan 0.000 0.431 106 V N 3.705 123.666 119.914 0.078 0.000 2.743 106 V HA 0.652 4.772 4.120 -0.000 0.000 0.301 106 V C -0.090 176.069 176.094 0.108 0.000 1.057 106 V CA -0.375 61.967 62.300 0.070 0.000 1.006 106 V CB 1.373 33.202 31.823 0.010 0.000 1.024 106 V HN 1.060 nan 8.190 nan 0.000 0.473 107 Q N 1.189 121.068 119.800 0.132 0.000 2.327 107 Q HA 0.630 4.970 4.340 -0.000 0.000 0.265 107 Q C -2.127 173.956 176.000 0.139 0.000 0.993 107 Q CA -0.407 55.481 55.803 0.142 0.000 0.885 107 Q CB 2.602 31.469 28.738 0.216 0.000 1.379 107 Q HN 0.647 nan 8.270 nan 0.000 0.408 108 V N 1.525 121.488 119.914 0.081 0.000 2.588 108 V HA 0.791 4.911 4.120 -0.000 0.000 0.304 108 V C -0.468 175.639 176.094 0.022 0.000 1.042 108 V CA -0.654 61.688 62.300 0.070 0.000 0.877 108 V CB 1.671 33.518 31.823 0.041 0.000 0.996 108 V HN 0.878 nan 8.190 nan 0.000 0.425 109 T N 0.452 115.020 114.554 0.024 0.000 2.916 109 T HA 0.946 5.296 4.350 -0.000 0.000 0.298 109 T C -0.183 174.502 174.700 -0.026 0.000 1.031 109 T CA 0.027 62.110 62.100 -0.028 0.000 0.993 109 T CB 1.934 70.762 68.868 -0.066 0.000 1.045 109 T HN 1.584 nan 8.240 nan 0.000 0.454 110 G N 1.718 110.480 108.800 -0.063 0.000 2.348 110 G HA2 0.588 4.548 3.960 -0.000 0.000 0.296 110 G HA3 0.588 4.548 3.960 -0.000 0.000 0.296 110 G C -3.250 171.598 174.900 -0.086 0.000 1.258 110 G CA -0.991 44.074 45.100 -0.058 0.000 0.868 110 G HN 0.666 nan 8.290 nan 0.000 0.488 111 P HA 0.188 nan 4.420 nan 0.000 0.255 111 P C 0.164 177.401 177.300 -0.105 0.000 1.173 111 P CA 0.954 64.017 63.100 -0.061 0.000 0.780 111 P CB 0.384 32.064 31.700 -0.034 0.000 0.758 112 Q N -0.874 118.879 119.800 -0.078 0.000 2.406 112 Q HA -0.188 4.152 4.340 -0.000 0.000 0.236 112 Q C -0.582 175.291 176.000 -0.212 0.000 0.799 112 Q CA 0.706 56.465 55.803 -0.072 0.000 1.286 112 Q CB -1.274 27.473 28.738 0.015 0.000 1.615 112 Q HN 0.326 nan 8.270 nan 0.000 0.621 113 V N -0.223 119.523 119.914 -0.280 0.000 2.888 113 V HA 0.786 4.906 4.120 -0.000 0.000 0.309 113 V C -0.497 175.484 176.094 -0.188 0.000 1.114 113 V CA -0.824 61.249 62.300 -0.378 0.000 0.940 113 V CB 2.184 33.548 31.823 -0.765 0.000 1.021 113 V HN 0.356 nan 8.190 nan 0.000 0.426 114 R N 3.356 123.784 120.500 -0.119 0.000 2.604 114 R HA 0.891 5.231 4.340 -0.000 0.000 0.270 114 R C -2.188 174.100 176.300 -0.020 0.000 1.052 114 R CA -0.675 55.388 56.100 -0.061 0.000 0.902 114 R CB 1.578 31.850 30.300 -0.048 0.000 1.233 114 R HN 0.600 nan 8.270 nan 0.000 0.455 115 L N 0.987 122.211 121.223 0.001 0.000 2.434 115 L HA 0.628 4.968 4.340 -0.000 0.000 0.260 115 L C -0.837 176.051 176.870 0.031 0.000 0.983 115 L CA -0.863 53.992 54.840 0.024 0.000 0.820 115 L CB 2.772 44.854 42.059 0.038 0.000 1.361 115 L HN 0.786 nan 8.230 nan 0.000 0.410 116 E N 2.075 122.294 120.200 0.032 0.000 2.287 116 E HA 0.427 4.777 4.350 -0.000 0.000 0.274 116 E C -1.636 174.979 176.600 0.024 0.000 0.896 116 E CA -0.730 55.694 56.400 0.040 0.000 0.788 116 E CB 2.533 32.260 29.700 0.044 0.000 1.244 116 E HN 0.242 nan 8.360 nan 0.000 0.408 117 K N 2.952 123.363 120.400 0.018 0.000 2.601 117 K HA 0.276 4.596 4.320 -0.000 0.000 0.249 117 K C -1.779 174.786 176.600 -0.058 0.000 0.966 117 K CA -0.644 55.631 56.287 -0.021 0.000 0.827 117 K CB 1.889 34.376 32.500 -0.021 0.000 1.178 117 K HN 0.279 nan 8.250 nan 0.000 0.437 118 V N 6.106 125.946 119.914 -0.124 0.000 2.530 118 V HA 0.663 4.783 4.120 -0.000 0.000 0.282 118 V C -0.619 175.315 176.094 -0.267 0.000 1.048 118 V CA -0.032 62.126 62.300 -0.237 0.000 0.997 118 V CB 0.708 32.265 31.823 -0.444 0.000 0.987 118 V HN 0.528 nan 8.190 nan 0.000 0.477 119 V N 5.542 125.291 119.914 -0.275 0.000 3.102 119 V HA 0.628 4.748 4.120 -0.000 0.000 0.312 119 V C -0.515 175.317 176.094 -0.438 0.000 1.135 119 V CA -1.221 60.875 62.300 -0.340 0.000 1.022 119 V CB 1.616 33.297 31.823 -0.237 0.000 1.056 119 V HN 0.732 nan 8.190 nan 0.000 0.436 120 L N 1.906 122.831 121.223 -0.496 0.000 2.399 120 L HA 0.618 4.958 4.340 -0.000 0.000 0.266 120 L C -0.486 176.221 176.870 -0.271 0.000 1.114 120 L CA -0.395 54.170 54.840 -0.458 0.000 0.804 120 L CB 1.223 43.027 42.059 -0.425 0.000 1.146 120 L HN 0.658 nan 8.230 nan 0.000 0.451 121 L N 2.335 123.447 121.223 -0.185 0.000 2.333 121 L HA 0.443 4.783 4.340 -0.000 0.000 0.280 121 L C -0.164 176.567 176.870 -0.231 0.000 1.004 121 L CA 0.108 54.827 54.840 -0.203 0.000 0.820 121 L CB 1.567 43.499 42.059 -0.211 0.000 1.247 121 L HN 0.690 nan 8.230 nan 0.000 0.416 122 S N 2.817 118.421 115.700 -0.160 0.000 2.480 122 S HA 0.334 4.804 4.470 -0.000 0.000 0.286 122 S C 0.494 175.020 174.600 -0.124 0.000 1.180 122 S CA -0.258 57.900 58.200 -0.069 0.000 1.075 122 S CB 0.460 63.736 63.200 0.127 0.000 0.996 122 S HN 0.453 nan 8.310 nan 0.000 0.487 123 Y N 2.270 122.613 120.300 0.071 0.000 2.578 123 Y HA 0.107 4.657 4.550 -0.000 0.000 0.297 123 Y C 1.440 177.360 175.900 0.033 0.000 1.176 123 Y CA 0.241 58.372 58.100 0.053 0.000 1.315 123 Y CB -0.450 38.050 38.460 0.067 0.000 1.031 123 Y HN 0.744 nan 8.280 nan 0.000 0.524 124 Q N 0.421 120.307 119.800 0.144 0.000 2.485 124 Q HA -0.115 4.225 4.340 -0.000 0.000 0.348 124 Q C 1.040 177.029 176.000 -0.018 0.000 1.097 124 Q CA 0.954 56.794 55.803 0.061 0.000 1.079 124 Q CB 1.097 29.841 28.738 0.010 0.000 1.108 124 Q HN 0.184 nan 8.270 nan 0.000 0.400 125 S N 2.525 118.200 115.700 -0.043 0.000 2.559 125 S HA 0.367 4.837 4.470 -0.000 0.000 0.212 125 S C 0.168 174.640 174.600 -0.213 0.000 0.994 125 S CA 0.426 58.540 58.200 -0.143 0.000 0.903 125 S CB 0.187 63.252 63.200 -0.226 0.000 0.861 125 S HN 0.780 nan 8.310 nan 0.000 0.601 126 S N -1.594 114.028 115.700 -0.130 0.000 2.714 126 S HA 0.618 5.088 4.470 -0.000 0.000 0.280 126 S C -2.442 172.092 174.600 -0.110 0.000 1.200 126 S CA -0.601 57.494 58.200 -0.175 0.000 0.900 126 S CB 0.074 63.385 63.200 0.185 0.000 1.235 126 S HN 0.191 nan 8.310 nan 0.000 0.512 127 F N 2.149 122.171 119.950 0.120 0.000 2.477 127 F HA 0.593 5.120 4.527 -0.000 0.000 0.335 127 F C -0.049 175.444 175.800 -0.511 0.000 1.130 127 F CA -0.929 56.923 58.000 -0.247 0.000 0.948 127 F CB 1.172 39.978 39.000 -0.323 0.000 1.154 127 F HN 0.369 nan 8.300 nan 0.000 0.439 128 L N 3.140 124.104 121.223 -0.432 0.000 2.375 128 L HA 0.592 4.932 4.340 -0.000 0.000 0.268 128 L C -1.231 175.080 176.870 -0.932 0.000 1.058 128 L CA -0.748 53.806 54.840 -0.476 0.000 0.803 128 L CB 1.579 43.520 42.059 -0.197 0.000 1.212 128 L HN 0.341 nan 8.230 nan 0.000 0.451 129 F N 1.395 121.276 119.950 -0.114 0.000 2.722 129 F HA 0.431 4.958 4.527 0.000 0.000 0.336 129 F C -0.190 175.711 175.800 0.169 0.000 1.216 129 F CA -0.756 57.187 58.000 -0.095 0.000 1.065 129 F CB 1.115 40.094 39.000 -0.035 0.000 1.325 129 F HN 0.127 nan 8.300 nan 0.000 0.524 130 I N 2.990 123.846 120.570 0.477 0.000 2.488 130 I HA 0.482 4.652 4.170 -0.000 0.000 0.299 130 I C -0.362 175.873 176.117 0.198 0.000 0.984 130 I CA -0.661 60.761 61.300 0.205 0.000 1.250 130 I CB 1.873 39.915 38.000 0.071 0.000 1.389 130 I HN 0.537 nan 8.210 nan 0.000 0.488 131 Q N 4.732 124.618 119.800 0.145 0.000 2.304 131 Q HA 0.428 4.768 4.340 -0.000 0.000 0.270 131 Q C -1.366 174.803 176.000 0.281 0.000 1.035 131 Q CA -0.664 55.264 55.803 0.209 0.000 0.781 131 Q CB 2.195 31.067 28.738 0.222 0.000 1.261 131 Q HN 0.819 nan 8.270 nan 0.000 0.444 132 T N -0.131 114.603 114.554 0.299 0.000 2.855 132 T HA 0.190 4.540 4.350 -0.000 0.000 0.281 132 T C 1.082 175.998 174.700 0.361 0.000 1.007 132 T CA -0.339 61.961 62.100 0.333 0.000 1.009 132 T CB 1.238 70.311 68.868 0.341 0.000 0.983 132 T HN 0.724 nan 8.240 nan 0.000 0.455 133 D N 2.309 122.903 120.400 0.323 0.000 2.191 133 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 133 D C 0.548 176.968 176.300 0.200 0.000 1.003 133 D CA 1.443 55.690 54.000 0.412 0.000 0.867 133 D CB 0.024 40.900 40.800 0.128 0.000 0.926 133 D HN 0.854 nan 8.370 nan 0.000 0.450 134 K N -2.791 117.663 120.400 0.089 0.000 2.499 134 K HA 0.574 4.894 4.320 -0.000 0.000 0.277 134 K C 0.672 177.261 176.600 -0.018 0.000 1.025 134 K CA -0.555 55.697 56.287 -0.057 0.000 0.900 134 K CB 1.220 33.570 32.500 -0.250 0.000 1.494 134 K HN -0.154 nan 8.250 nan 0.000 0.442 135 G N 0.207 109.018 108.800 0.018 0.000 3.042 135 G HA2 0.238 4.198 3.960 -0.000 0.000 0.212 135 G HA3 0.238 4.198 3.960 -0.000 0.000 0.212 135 G C -0.123 174.886 174.900 0.181 0.000 1.166 135 G CA 0.302 45.525 45.100 0.206 0.000 0.767 135 G HN 0.528 nan 8.290 nan 0.000 0.546 136 I N -1.501 118.960 120.570 -0.180 0.000 2.771 136 I HA 0.519 4.689 4.170 -0.000 0.000 0.291 136 I C -2.171 173.701 176.117 -0.408 0.000 1.527 136 I CA -1.147 60.098 61.300 -0.091 0.000 1.024 136 I CB 1.763 39.788 38.000 0.042 0.000 1.388 136 I HN -0.037 nan 8.210 nan 0.000 0.447 137 Y N 3.777 124.057 120.300 -0.034 0.000 2.457 137 Y HA 0.442 4.992 4.550 0.000 0.000 0.343 137 Y C 0.134 175.963 175.900 -0.119 0.000 0.994 137 Y CA -0.706 57.317 58.100 -0.128 0.000 1.031 137 Y CB 2.369 40.664 38.460 -0.276 0.000 1.246 137 Y HN 0.422 nan 8.280 nan 0.000 0.449 138 T N 4.852 119.413 114.554 0.012 0.000 2.928 138 T HA 0.122 4.472 4.350 -0.000 0.000 0.305 138 T C -2.468 172.217 174.700 -0.025 0.000 1.035 138 T CA -1.009 61.047 62.100 -0.073 0.000 1.145 138 T CB 0.196 69.022 68.868 -0.070 0.000 0.963 138 T HN 0.210 nan 8.240 nan 0.000 0.545 139 P HA 0.183 nan 4.420 nan 0.000 0.267 139 P C 1.237 178.530 177.300 -0.011 0.000 1.201 139 P CA 0.862 63.965 63.100 0.005 0.000 0.775 139 P CB 0.161 31.913 31.700 0.087 0.000 0.854 140 G N 0.564 109.318 108.800 -0.077 0.000 2.320 140 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 140 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 140 G C 0.474 175.311 174.900 -0.106 0.000 1.033 140 G CA 0.440 45.492 45.100 -0.079 0.000 0.620 140 G HN 0.814 nan 8.290 nan 0.000 0.517 141 S N 1.189 116.831 115.700 -0.096 0.000 2.608 141 S HA 0.625 5.095 4.470 -0.000 0.000 0.261 141 S C -2.626 171.849 174.600 -0.209 0.000 1.314 141 S CA -0.588 57.555 58.200 -0.096 0.000 0.992 141 S CB 1.943 65.143 63.200 -0.000 0.000 0.935 141 S HN 0.411 nan 8.310 nan 0.000 0.564 142 P HA 0.438 nan 4.420 nan 0.000 0.306 142 P C -1.297 175.800 177.300 -0.338 0.000 1.415 142 P CA -0.796 62.132 63.100 -0.288 0.000 0.959 142 P CB 1.401 32.976 31.700 -0.208 0.000 1.003 143 V N 5.495 125.089 119.914 -0.532 0.000 2.408 143 V HA 0.200 4.320 4.120 -0.000 0.000 0.267 143 V C 0.561 176.429 176.094 -0.378 0.000 1.047 143 V CA -0.211 61.667 62.300 -0.703 0.000 0.937 143 V CB 0.174 31.361 31.823 -1.061 0.000 0.999 143 V HN 0.366 nan 8.190 nan 0.000 0.472 144 L N 5.593 126.557 121.223 -0.432 0.000 2.317 144 L HA 0.873 5.213 4.340 -0.000 0.000 0.281 144 L C -0.643 175.832 176.870 -0.658 0.000 1.024 144 L CA -0.729 53.694 54.840 -0.696 0.000 0.810 144 L CB 1.329 42.767 42.059 -1.035 0.000 1.240 144 L HN 0.622 nan 8.230 nan 0.000 0.427 145 Y N 0.152 120.170 120.300 -0.469 0.000 2.633 145 Y HA 0.827 5.377 4.550 -0.000 0.000 0.339 145 Y C -0.791 174.901 175.900 -0.346 0.000 1.045 145 Y CA -1.484 56.460 58.100 -0.260 0.000 1.098 145 Y CB 1.515 39.853 38.460 -0.205 0.000 1.296 145 Y HN 0.620 nan 8.280 nan 0.000 0.494 146 R N 0.933 121.447 120.500 0.023 0.000 2.673 146 R HA 0.721 5.061 4.340 -0.000 0.000 0.281 146 R C -2.172 173.869 176.300 -0.432 0.000 0.991 146 R CA -1.193 54.660 56.100 -0.410 0.000 0.896 146 R CB 2.761 32.980 30.300 -0.135 0.000 1.201 146 R HN 0.722 nan 8.270 nan 0.000 0.457 147 V N 5.307 125.000 119.914 -0.368 0.000 2.409 147 V HA 0.442 4.562 4.120 -0.000 0.000 0.290 147 V C -1.148 174.909 176.094 -0.061 0.000 1.017 147 V CA -0.546 61.670 62.300 -0.140 0.000 0.841 147 V CB 1.016 32.830 31.823 -0.015 0.000 1.003 147 V HN 0.527 nan 8.190 nan 0.000 0.426 148 F N 3.908 123.990 119.950 0.220 0.000 2.377 148 F HA 0.680 5.207 4.527 -0.000 0.000 0.328 148 F C 0.761 176.663 175.800 0.169 0.000 1.094 148 F CA -0.344 57.794 58.000 0.230 0.000 1.093 148 F CB 1.877 41.052 39.000 0.291 0.000 1.214 148 F HN 0.504 nan 8.300 nan 0.000 0.518 149 S N 2.880 118.847 115.700 0.445 0.000 2.557 149 S HA 0.449 4.919 4.470 -0.000 0.000 0.291 149 S C -0.563 174.237 174.600 0.334 0.000 1.116 149 S CA -1.037 57.325 58.200 0.270 0.000 0.992 149 S CB 1.238 64.594 63.200 0.260 0.000 1.028 149 S HN 0.492 nan 8.310 nan 0.000 0.484 150 M N 3.494 123.158 119.600 0.107 0.000 3.282 150 M HA 0.135 4.615 4.480 -0.000 0.000 0.242 150 M C 0.208 176.308 176.300 -0.333 0.000 1.568 150 M CA -0.072 55.199 55.300 -0.049 0.000 1.668 150 M CB -1.797 30.828 32.600 0.040 0.000 1.236 150 M HN 0.878 nan 8.290 nan 0.000 0.527 151 D N 2.677 123.032 120.400 -0.075 0.000 2.703 151 D HA -0.100 4.540 4.640 -0.000 0.000 0.225 151 D C -0.132 175.954 176.300 -0.355 0.000 1.119 151 D CA 1.338 55.333 54.000 -0.008 0.000 0.845 151 D CB 0.524 41.509 40.800 0.308 0.000 1.182 151 D HN 0.437 nan 8.370 nan 0.000 0.493 159 K N 0.058 120.487 120.400 0.049 0.000 2.220 159 K HA 0.374 4.694 4.320 -0.000 0.000 0.283 159 K C -0.453 176.224 176.600 0.127 0.000 1.098 159 K CA -0.506 55.837 56.287 0.093 0.000 0.928 159 K CB 0.119 32.667 32.500 0.080 0.000 1.214 159 K HN 0.388 nan 8.250 nan 0.000 0.442 160 T N -0.570 114.091 114.554 0.179 0.000 2.809 160 T HA 0.447 4.797 4.350 -0.000 0.000 0.284 160 T C -0.298 174.553 174.700 0.252 0.000 0.992 160 T CA -0.754 61.456 62.100 0.184 0.000 0.957 160 T CB 1.139 70.099 68.868 0.152 0.000 0.942 160 T HN 0.233 nan 8.240 nan 0.000 0.439 161 V N 4.907 124.925 119.914 0.173 0.000 2.555 161 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 161 V C 0.066 176.216 176.094 0.092 0.000 1.038 161 V CA -1.175 61.184 62.300 0.098 0.000 0.887 161 V CB 1.745 33.580 31.823 0.018 0.000 0.991 161 V HN 1.029 nan 8.190 nan 0.000 0.434 162 I N 4.060 124.661 120.570 0.051 0.000 2.359 162 I HA 0.607 4.777 4.170 -0.000 0.000 0.294 162 I C -0.965 175.161 176.117 0.015 0.000 0.987 162 I CA -0.366 60.965 61.300 0.052 0.000 1.225 162 I CB 1.478 39.497 38.000 0.031 0.000 1.366 162 I HN 0.441 nan 8.210 nan 0.000 0.466 163 V N 7.209 127.151 119.914 0.047 0.000 2.680 163 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 163 V C -0.493 175.639 176.094 0.063 0.000 1.052 163 V CA -0.615 61.682 62.300 -0.005 0.000 0.908 163 V CB 2.009 33.811 31.823 -0.036 0.000 1.001 163 V HN 0.705 nan 8.190 nan 0.000 0.431 164 E N 2.288 122.497 120.200 0.015 0.000 2.314 164 E HA 0.536 4.886 4.350 -0.000 0.000 0.272 164 E C -1.956 174.697 176.600 0.089 0.000 0.884 164 E CA -0.618 55.831 56.400 0.083 0.000 0.753 164 E CB 2.719 32.416 29.700 -0.005 0.000 1.213 164 E HN 0.479 nan 8.360 nan 0.000 0.432 165 F N 1.993 121.879 119.950 -0.107 0.000 2.402 165 F HA 0.297 4.824 4.527 -0.000 0.000 0.355 165 F C 0.068 175.812 175.800 -0.095 0.000 1.123 165 F CA -0.469 57.483 58.000 -0.079 0.000 1.021 165 F CB 1.540 40.461 39.000 -0.132 0.000 1.160 165 F HN 0.199 nan 8.300 nan 0.000 0.451 166 Q N 1.285 121.047 119.800 -0.063 0.000 2.309 166 Q HA 0.411 4.751 4.340 -0.000 0.000 0.264 166 Q C 0.146 175.888 176.000 -0.429 0.000 1.008 166 Q CA -0.904 54.782 55.803 -0.195 0.000 0.853 166 Q CB 2.319 30.939 28.738 -0.197 0.000 1.314 166 Q HN 0.649 nan 8.270 nan 0.000 0.448 167 T N 0.326 114.438 114.554 -0.737 0.000 2.828 167 T HA 0.195 4.545 4.350 -0.000 0.000 0.290 167 T C -1.849 172.421 174.700 -0.717 0.000 1.019 167 T CA -1.687 59.631 62.100 -1.304 0.000 1.031 167 T CB 0.445 68.663 68.868 -1.085 0.000 1.001 167 T HN 0.300 nan 8.240 nan 0.000 0.531 168 P HA 0.106 nan 4.420 nan 0.000 0.233 168 P C 1.001 178.157 177.300 -0.239 0.000 1.167 168 P CA 0.638 63.535 63.100 -0.340 0.000 0.770 168 P CB 0.104 31.677 31.700 -0.213 0.000 0.837 169 E N -0.868 119.184 120.200 -0.246 0.000 2.106 169 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 169 E C 1.478 177.979 176.600 -0.164 0.000 0.984 169 E CA 1.207 57.512 56.400 -0.158 0.000 0.806 169 E CB -0.342 29.283 29.700 -0.125 0.000 0.750 169 E HN 0.280 nan 8.360 nan 0.000 0.458 170 G N 0.431 109.100 108.800 -0.218 0.000 2.318 170 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.172 170 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.172 170 G C 0.235 175.032 174.900 -0.172 0.000 1.002 170 G CA -0.266 44.723 45.100 -0.184 0.000 0.697 170 G HN 0.090 nan 8.290 nan 0.000 0.483 171 I N 1.687 122.145 120.570 -0.186 0.000 2.638 171 I HA 0.502 4.672 4.170 -0.000 0.000 0.286 171 I C 0.819 176.856 176.117 -0.133 0.000 1.088 171 I CA -0.901 60.319 61.300 -0.134 0.000 1.397 171 I CB 0.963 38.899 38.000 -0.106 0.000 1.414 171 I HN 0.065 nan 8.210 nan 0.000 0.566 172 L N 6.063 127.241 121.223 -0.075 0.000 2.436 172 L HA 0.259 4.599 4.340 -0.000 0.000 0.265 172 L C 0.438 177.305 176.870 -0.005 0.000 1.168 172 L CA 0.572 55.387 54.840 -0.043 0.000 0.815 172 L CB 1.377 43.422 42.059 -0.024 0.000 1.109 172 L HN 0.528 nan 8.230 nan 0.000 0.462 173 V N 0.724 120.651 119.914 0.021 0.000 3.623 173 V HA 0.333 4.453 4.120 -0.000 0.000 0.283 173 V C -0.113 175.968 176.094 -0.023 0.000 1.643 173 V CA 0.256 62.585 62.300 0.049 0.000 1.121 173 V CB 0.073 31.985 31.823 0.148 0.000 0.933 173 V HN 0.737 nan 8.190 nan 0.000 0.420 174 S N -0.231 115.460 115.700 -0.015 0.000 2.583 174 S HA 0.522 4.992 4.470 -0.000 0.000 0.294 174 S C -1.292 173.353 174.600 0.076 0.000 1.121 174 S CA -0.057 58.137 58.200 -0.010 0.000 0.910 174 S CB 1.898 64.985 63.200 -0.189 0.000 1.102 174 S HN 0.166 nan 8.310 nan 0.000 0.451 175 S N 3.708 119.461 115.700 0.087 0.000 2.653 175 S HA 0.543 5.013 4.470 -0.000 0.000 0.272 175 S C -0.942 173.739 174.600 0.135 0.000 1.221 175 S CA -0.634 57.622 58.200 0.092 0.000 1.149 175 S CB -0.205 63.023 63.200 0.048 0.000 1.029 175 S HN 0.741 nan 8.310 nan 0.000 0.481 176 N N 1.293 120.114 118.700 0.201 0.000 2.335 176 N HA 0.495 5.235 4.740 -0.000 0.000 0.304 176 N C -1.141 174.526 175.510 0.261 0.000 1.135 176 N CA -0.963 52.276 53.050 0.315 0.000 0.817 176 N CB 1.784 40.620 38.487 0.582 0.000 1.294 176 N HN 0.347 nan 8.380 nan 0.000 0.497 177 S N 0.500 116.372 115.700 0.287 0.000 2.150 177 S HA 0.237 4.707 4.470 -0.000 0.000 0.171 177 S C -0.097 174.649 174.600 0.243 0.000 1.620 177 S CA -0.825 57.502 58.200 0.212 0.000 1.190 177 S CB 0.027 63.319 63.200 0.154 0.000 1.102 177 S HN 0.472 nan 8.310 nan 0.000 0.464 178 V N -0.067 119.994 119.914 0.245 0.000 2.743 178 V HA 0.593 4.713 4.120 -0.000 0.000 0.301 178 V C -0.039 176.112 176.094 0.094 0.000 1.057 178 V CA -0.771 61.657 62.300 0.215 0.000 1.006 178 V CB 1.440 33.379 31.823 0.194 0.000 1.024 178 V HN 0.701 nan 8.190 nan 0.000 0.473 179 D N 3.676 124.094 120.400 0.030 0.000 2.283 179 D HA 0.179 4.819 4.640 -0.000 0.000 0.248 179 D C 0.794 176.980 176.300 -0.190 0.000 1.072 179 D CA -0.534 53.446 54.000 -0.033 0.000 0.929 179 D CB 1.854 42.640 40.800 -0.024 0.000 1.182 179 D HN 0.618 nan 8.370 nan 0.000 0.433 180 L N 1.571 122.701 121.223 -0.155 0.000 2.642 180 L HA -0.103 4.237 4.340 -0.000 0.000 0.236 180 L C 1.899 178.569 176.870 -0.333 0.000 1.169 180 L CA 0.180 54.875 54.840 -0.241 0.000 0.851 180 L CB -0.897 41.092 42.059 -0.116 0.000 0.968 180 L HN 0.424 nan 8.230 nan 0.000 0.453 181 N N 0.090 118.636 118.700 -0.258 0.000 2.278 181 N HA -0.007 4.733 4.740 -0.000 0.000 0.181 181 N C -0.079 175.485 175.510 0.090 0.000 1.023 181 N CA 0.829 53.838 53.050 -0.068 0.000 0.862 181 N CB 0.383 38.855 38.487 -0.025 0.000 1.003 181 N HN 0.014 nan 8.380 nan 0.000 0.431 182 F N 0.227 119.890 119.950 -0.477 0.000 2.556 182 F HA 0.486 5.013 4.527 -0.000 0.000 0.314 182 F C -0.957 174.620 175.800 -0.371 0.000 1.106 182 F CA -1.203 56.615 58.000 -0.303 0.000 0.911 182 F CB 1.317 40.295 39.000 -0.036 0.000 1.190 182 F HN -0.088 nan 8.300 nan 0.000 0.448 183 F N 0.633 120.557 119.950 -0.044 0.000 2.678 183 F HA 0.566 5.093 4.527 -0.000 0.000 0.308 183 F C -1.213 174.352 175.800 -0.392 0.000 1.118 183 F CA -1.915 55.884 58.000 -0.335 0.000 0.959 183 F CB 1.022 39.599 39.000 -0.705 0.000 1.305 183 F HN 0.541 nan 8.300 nan 0.000 0.443 184 W N 0.455 121.743 121.300 -0.020 0.000 2.181 184 W HA 0.905 5.565 4.660 -0.000 0.000 0.415 184 W C -3.018 173.246 176.519 -0.425 0.000 1.689 184 W CA -2.023 55.213 57.345 -0.182 0.000 1.859 184 W CB -0.633 28.777 29.460 -0.082 0.000 1.425 184 W HN 0.165 nan 8.180 nan 0.000 0.713 185 P HA 0.174 nan 4.420 nan 0.000 0.285 185 P C -1.854 175.462 177.300 0.026 0.000 1.280 185 P CA -0.639 62.300 63.100 -0.269 0.000 0.862 185 P CB 0.944 32.479 31.700 -0.276 0.000 1.153 186 Y N 1.079 121.241 120.300 -0.231 0.000 2.367 186 Y HA 0.332 4.882 4.550 -0.000 0.000 0.342 186 Y C -0.111 175.645 175.900 -0.240 0.000 0.979 186 Y CA -0.926 56.998 58.100 -0.294 0.000 1.161 186 Y CB -0.043 37.971 38.460 -0.743 0.000 1.155 186 Y HN 0.295 nan 8.280 nan 0.000 0.503 187 N N 6.640 124.995 118.700 -0.576 0.000 2.405 187 N HA 0.208 4.948 4.740 -0.000 0.000 0.260 187 N C -1.089 173.924 175.510 -0.829 0.000 1.152 187 N CA -0.151 52.571 53.050 -0.547 0.000 0.948 187 N CB 0.447 38.747 38.487 -0.311 0.000 1.111 187 N HN 0.546 nan 8.380 nan 0.000 0.485 188 L N 5.016 125.834 121.223 -0.674 0.000 2.360 188 L HA 0.291 4.631 4.340 -0.000 0.000 0.276 188 L C -1.939 174.737 176.870 -0.324 0.000 1.121 188 L CA -1.808 52.687 54.840 -0.575 0.000 0.845 188 L CB 0.462 42.212 42.059 -0.515 0.000 1.143 188 L HN 0.278 nan 8.230 nan 0.000 0.452 189 P HA -0.069 nan 4.420 nan 0.000 0.267 189 P C 0.202 177.433 177.300 -0.114 0.000 1.200 189 P CA -0.094 62.931 63.100 -0.125 0.000 0.772 189 P CB 0.560 32.227 31.700 -0.056 0.000 0.855 190 D N 1.306 121.656 120.400 -0.084 0.000 2.389 190 D HA -0.079 4.561 4.640 -0.000 0.000 0.221 190 D C 0.073 176.324 176.300 -0.082 0.000 0.974 190 D CA 1.082 55.047 54.000 -0.059 0.000 0.923 190 D CB 0.157 40.933 40.800 -0.040 0.000 0.892 190 D HN 0.241 nan 8.370 nan 0.000 0.518 191 L N 0.787 121.923 121.223 -0.144 0.000 2.529 191 L HA 0.322 4.662 4.340 -0.000 0.000 0.258 191 L C -1.408 175.112 176.870 -0.583 0.000 1.032 191 L CA -0.381 54.284 54.840 -0.292 0.000 0.899 191 L CB 1.981 43.923 42.059 -0.195 0.000 1.174 191 L HN -0.335 nan 8.230 nan 0.000 0.458 192 V N 1.549 121.116 119.914 -0.578 0.000 3.225 192 V HA 0.413 4.533 4.120 -0.000 0.000 0.293 192 V C -0.163 175.924 176.094 -0.011 0.000 1.405 192 V CA -0.408 61.632 62.300 -0.434 0.000 1.038 192 V CB 2.800 34.663 31.823 0.067 0.000 1.123 192 V HN 0.676 nan 8.190 nan 0.000 0.447 193 S N 4.968 120.932 115.700 0.440 0.000 2.593 193 S HA 0.160 4.630 4.470 -0.000 0.000 0.303 193 S C -0.401 174.504 174.600 0.509 0.000 1.267 193 S CA 0.081 58.589 58.200 0.512 0.000 1.047 193 S CB -0.074 63.362 63.200 0.393 0.000 0.777 193 S HN 0.499 nan 8.310 nan 0.000 0.498 194 L N 2.473 123.906 121.223 0.350 0.000 2.325 194 L HA 0.785 5.125 4.340 -0.000 0.000 0.278 194 L C 0.987 178.025 176.870 0.280 0.000 1.023 194 L CA 0.604 55.631 54.840 0.311 0.000 0.811 194 L CB 0.661 42.836 42.059 0.193 0.000 1.249 194 L HN 1.016 nan 8.230 nan 0.000 0.431 195 G N 2.459 111.450 108.800 0.318 0.000 2.295 195 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.155 195 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.155 195 G C -0.887 174.189 174.900 0.293 0.000 1.307 195 G CA -0.336 44.899 45.100 0.224 0.000 1.140 195 G HN 0.370 nan 8.290 nan 0.000 0.470 196 T N 1.134 115.783 114.554 0.157 0.000 3.154 196 T HA 0.473 4.823 4.350 -0.000 0.000 0.381 196 T C -0.521 174.143 174.700 -0.060 0.000 1.368 196 T CA -0.260 61.902 62.100 0.104 0.000 1.155 196 T CB 0.218 69.079 68.868 -0.012 0.000 1.120 196 T HN 0.452 nan 8.240 nan 0.000 0.570 197 W N 3.199 124.310 121.300 -0.316 0.000 2.209 197 W HA 0.217 4.877 4.660 -0.000 0.000 0.344 197 W C 0.815 176.902 176.519 -0.719 0.000 1.285 197 W CA -0.697 56.298 57.345 -0.583 0.000 1.267 197 W CB 0.226 29.136 29.460 -0.917 0.000 1.167 197 W HN 0.427 nan 8.180 nan 0.000 0.574 198 R N 3.461 123.741 120.500 -0.366 0.000 2.343 198 R HA 0.620 4.960 4.340 -0.000 0.000 0.320 198 R C -0.848 175.211 176.300 -0.401 0.000 0.956 198 R CA -0.866 55.078 56.100 -0.261 0.000 0.836 198 R CB 1.250 31.468 30.300 -0.138 0.000 1.151 198 R HN 0.420 nan 8.270 nan 0.000 0.450 199 I N 4.118 124.383 120.570 -0.508 0.000 2.315 199 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 199 I C -0.266 175.575 176.117 -0.461 0.000 1.006 199 I CA -0.910 59.968 61.300 -0.703 0.000 1.265 199 I CB 1.668 39.202 38.000 -0.777 0.000 1.387 199 I HN 0.481 nan 8.210 nan 0.000 0.475 200 V N 4.259 123.951 119.914 -0.371 0.000 2.483 200 V HA 0.880 5.000 4.120 -0.000 0.000 0.297 200 V C -0.255 175.717 176.094 -0.203 0.000 1.027 200 V CA -0.510 61.629 62.300 -0.269 0.000 0.855 200 V CB 1.299 33.008 31.823 -0.190 0.000 0.995 200 V HN 0.698 nan 8.190 nan 0.000 0.424 201 A N 5.188 127.907 122.820 -0.168 0.000 2.337 201 A HA 0.988 5.308 4.320 -0.000 0.000 0.329 201 A C -0.225 177.312 177.584 -0.080 0.000 1.146 201 A CA -0.524 51.443 52.037 -0.116 0.000 0.800 201 A CB 1.653 20.587 19.000 -0.111 0.000 1.220 201 A HN 1.298 nan 8.150 nan 0.000 0.472 202 K N 0.267 120.607 120.400 -0.100 0.000 2.428 202 K HA 0.579 4.899 4.320 -0.000 0.000 0.279 202 K C -1.937 174.583 176.600 -0.133 0.000 1.041 202 K CA -0.755 55.474 56.287 -0.097 0.000 0.887 202 K CB 0.815 33.312 32.500 -0.005 0.000 1.535 202 K HN 0.429 nan 8.250 nan 0.000 0.417 203 Y N 1.977 122.315 120.300 0.063 0.000 2.330 203 Y HA 0.140 4.690 4.550 -0.000 0.000 0.336 203 Y C -0.048 175.902 175.900 0.084 0.000 1.036 203 Y CA -0.591 57.554 58.100 0.075 0.000 1.125 203 Y CB 1.555 40.062 38.460 0.077 0.000 1.194 203 Y HN 0.616 nan 8.280 nan 0.000 0.469 204 E N 2.910 123.294 120.200 0.308 0.000 2.757 204 E HA -0.104 4.246 4.350 -0.000 0.000 0.238 204 E C -1.017 175.810 176.600 0.380 0.000 1.057 204 E CA 0.272 56.836 56.400 0.274 0.000 0.952 204 E CB -0.684 29.233 29.700 0.361 0.000 0.934 204 E HN 0.835 nan 8.360 nan 0.000 0.518 205 H N 0.604 119.731 119.070 0.096 0.000 2.944 205 H HA -0.152 4.404 4.556 -0.000 0.000 0.313 205 H C -1.010 174.357 175.328 0.064 0.000 1.293 205 H CA 1.135 57.224 56.048 0.068 0.000 1.173 205 H CB -1.817 27.987 29.762 0.069 0.000 1.420 205 H HN 0.657 nan 8.280 nan 0.000 0.432 206 S N -0.805 114.993 115.700 0.163 0.000 2.465 206 S HA 0.346 4.816 4.470 -0.000 0.000 0.186 206 S C -3.011 171.678 174.600 0.148 0.000 0.839 206 S CA -1.181 57.106 58.200 0.144 0.000 1.037 206 S CB 0.802 64.096 63.200 0.156 0.000 1.407 206 S HN -0.013 nan 8.310 nan 0.000 0.396 207 P HA 0.020 nan 4.420 nan 0.000 0.180 207 P C 0.654 178.029 177.300 0.124 0.000 1.169 207 P CA 0.556 63.711 63.100 0.093 0.000 1.228 207 P CB -0.028 31.716 31.700 0.074 0.000 1.668 208 E N 1.619 121.908 120.200 0.147 0.000 2.250 208 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 208 E C 0.461 177.147 176.600 0.142 0.000 0.986 208 E CA 0.189 56.693 56.400 0.173 0.000 0.849 208 E CB -0.170 29.658 29.700 0.214 0.000 0.797 208 E HN 0.104 nan 8.360 nan 0.000 0.482 209 N N 0.469 119.221 118.700 0.086 0.000 2.708 209 N HA -0.273 4.467 4.740 -0.000 0.000 0.251 209 N C -0.905 174.637 175.510 0.053 0.000 1.017 209 N CA 0.578 53.654 53.050 0.043 0.000 0.742 209 N CB -1.692 36.820 38.487 0.042 0.000 0.943 209 N HN 0.279 nan 8.380 nan 0.000 0.539 210 Y N -0.278 119.994 120.300 -0.047 0.000 2.300 210 Y HA 0.554 5.104 4.550 -0.000 0.000 0.328 210 Y C 0.880 176.715 175.900 -0.108 0.000 1.270 210 Y CA 0.152 58.216 58.100 -0.059 0.000 1.352 210 Y CB 1.152 39.581 38.460 -0.051 0.000 1.286 210 Y HN 0.090 nan 8.280 nan 0.000 0.536 211 T N 2.660 116.344 114.554 -1.449 0.000 2.843 211 T HA 0.811 5.161 4.350 -0.000 0.000 0.302 211 T C -2.015 171.994 174.700 -1.151 0.000 1.232 211 T CA -0.180 61.327 62.100 -0.988 0.000 1.009 211 T CB 0.946 69.421 68.868 -0.654 0.000 1.254 211 T HN 0.967 nan 8.240 nan 0.000 0.504 212 A N 2.126 124.468 122.820 -0.796 0.000 2.513 212 A HA 0.701 5.021 4.320 -0.000 0.000 0.296 212 A C -2.232 175.076 177.584 -0.460 0.000 1.052 212 A CA -0.566 51.107 52.037 -0.607 0.000 0.714 212 A CB 1.040 19.879 19.000 -0.269 0.000 1.279 212 A HN 0.611 nan 8.150 nan 0.000 0.397 213 Y N 1.155 121.174 120.300 -0.468 0.000 2.377 213 Y HA 0.710 5.260 4.550 -0.000 0.000 0.339 213 Y C -0.193 175.386 175.900 -0.536 0.000 1.011 213 Y CA -1.669 56.014 58.100 -0.694 0.000 1.093 213 Y CB 1.509 39.312 38.460 -1.095 0.000 1.201 213 Y HN 0.671 nan 8.280 nan 0.000 0.455 214 F N 0.035 119.984 119.950 -0.003 0.000 2.563 214 F HA 0.688 5.215 4.527 -0.000 0.000 0.316 214 F C -0.836 175.168 175.800 0.339 0.000 1.076 214 F CA -1.607 56.546 58.000 0.254 0.000 0.921 214 F CB 1.254 40.457 39.000 0.337 0.000 1.209 214 F HN 0.258 nan 8.300 nan 0.000 0.462 215 D N 1.778 122.646 120.400 0.780 0.000 2.175 215 D HA 0.489 5.129 4.640 -0.000 0.000 0.248 215 D C -1.134 175.506 176.300 0.566 0.000 1.047 215 D CA -0.108 54.237 54.000 0.574 0.000 0.883 215 D CB 2.567 43.611 40.800 0.407 0.000 1.180 215 D HN 0.541 nan 8.370 nan 0.000 0.438 216 V N 3.292 123.477 119.914 0.451 0.000 2.569 216 V HA 0.581 4.701 4.120 -0.000 0.000 0.301 216 V C -1.030 175.203 176.094 0.232 0.000 1.044 216 V CA -0.471 62.010 62.300 0.300 0.000 0.874 216 V CB 1.800 33.721 31.823 0.163 0.000 1.002 216 V HN 0.632 nan 8.190 nan 0.000 0.424 217 R N 5.033 125.622 120.500 0.149 0.000 2.725 217 R HA 0.347 4.687 4.340 -0.000 0.000 0.254 217 R C -1.622 174.704 176.300 0.044 0.000 1.076 217 R CA -0.800 55.367 56.100 0.112 0.000 0.940 217 R CB 1.631 31.997 30.300 0.110 0.000 1.260 217 R HN 0.657 nan 8.270 nan 0.000 0.466 218 K N 3.718 124.151 120.400 0.054 0.000 2.315 218 K HA 0.171 4.491 4.320 -0.000 0.000 0.291 218 K C -0.864 175.740 176.600 0.007 0.000 1.074 218 K CA -0.040 56.242 56.287 -0.008 0.000 0.936 218 K CB 0.411 33.131 32.500 0.368 0.000 1.049 218 K HN 0.321 nan 8.250 nan 0.000 0.471 219 Y N 0.760 120.870 120.300 -0.317 0.000 3.059 219 Y HA 0.415 4.965 4.550 -0.000 0.000 0.301 219 Y C -1.275 174.507 175.900 -0.196 0.000 1.677 219 Y CA -1.610 56.388 58.100 -0.170 0.000 1.079 219 Y CB 1.407 39.794 38.460 -0.123 0.000 1.534 219 Y HN 0.134 nan 8.280 nan 0.000 0.473 220 V N 1.030 120.826 119.914 -0.196 0.000 3.029 220 V HA 0.280 4.400 4.120 -0.000 0.000 0.253 220 V C -1.124 174.644 176.094 -0.545 0.000 0.859 220 V CA -1.041 61.088 62.300 -0.285 0.000 0.970 220 V CB -0.080 31.717 31.823 -0.043 0.000 1.003 220 V HN 0.593 nan 8.190 nan 0.000 0.507 221 L N 2.768 123.680 121.223 -0.518 0.000 2.980 221 L HA 0.120 4.460 4.340 -0.000 0.000 0.297 221 L C -1.738 174.944 176.870 -0.314 0.000 1.024 221 L CA -0.146 54.424 54.840 -0.450 0.000 1.118 221 L CB -1.317 40.587 42.059 -0.258 0.000 1.559 221 L HN 0.339 nan 8.230 nan 0.000 0.427 222 P HA 0.023 nan 4.420 nan 0.000 0.270 222 P C 0.651 177.897 177.300 -0.090 0.000 1.227 222 P CA -0.185 62.821 63.100 -0.157 0.000 0.788 222 P CB 0.651 32.245 31.700 -0.177 0.000 0.926 223 S N 0.151 115.897 115.700 0.075 0.000 2.650 223 S HA 0.166 4.636 4.470 -0.000 0.000 0.219 223 S C 0.137 174.803 174.600 0.109 0.000 0.960 223 S CA -0.233 58.029 58.200 0.103 0.000 0.925 223 S CB -1.171 62.159 63.200 0.216 0.000 0.775 223 S HN 0.482 nan 8.310 nan 0.000 0.525 224 F N -0.654 119.164 119.950 -0.221 0.000 2.596 224 F HA 0.662 5.189 4.527 -0.000 0.000 0.311 224 F C -0.760 174.912 175.800 -0.214 0.000 1.116 224 F CA -1.203 56.623 58.000 -0.291 0.000 0.957 224 F CB 1.054 39.739 39.000 -0.526 0.000 1.250 224 F HN -0.023 nan 8.300 nan 0.000 0.444 225 E N 2.838 122.899 120.200 -0.231 0.000 2.354 225 E HA 0.479 4.829 4.350 -0.000 0.000 0.269 225 E C -1.547 174.906 176.600 -0.244 0.000 1.036 225 E CA -0.605 55.634 56.400 -0.268 0.000 0.876 225 E CB 1.790 31.400 29.700 -0.149 0.000 1.009 225 E HN 0.680 nan 8.360 nan 0.000 0.416 226 V N 5.164 124.911 119.914 -0.278 0.000 2.495 226 V HA 0.432 4.552 4.120 -0.000 0.000 0.298 226 V C -0.406 175.617 176.094 -0.119 0.000 1.031 226 V CA -0.539 61.665 62.300 -0.161 0.000 0.871 226 V CB 1.725 33.443 31.823 -0.174 0.000 0.988 226 V HN 0.686 nan 8.190 nan 0.000 0.432 227 R N 5.246 125.701 120.500 -0.075 0.000 2.599 227 R HA 0.710 5.050 4.340 -0.000 0.000 0.295 227 R C -1.483 174.791 176.300 -0.043 0.000 0.963 227 R CA -0.735 55.328 56.100 -0.062 0.000 0.883 227 R CB 2.165 32.434 30.300 -0.051 0.000 1.171 227 R HN 0.531 nan 8.270 nan 0.000 0.450 228 L N 2.006 123.207 121.223 -0.037 0.000 2.334 228 L HA 0.488 4.828 4.340 -0.000 0.000 0.273 228 L C -0.443 176.428 176.870 0.002 0.000 1.013 228 L CA -0.945 53.883 54.840 -0.020 0.000 0.816 228 L CB 1.807 43.851 42.059 -0.024 0.000 1.278 228 L HN 0.404 nan 8.230 nan 0.000 0.431 229 Q N 3.256 123.068 119.800 0.020 0.000 2.444 229 Q HA 0.431 4.771 4.340 -0.000 0.000 0.251 229 Q C -2.670 173.378 176.000 0.079 0.000 0.939 229 Q CA -1.586 54.242 55.803 0.041 0.000 0.740 229 Q CB 2.217 30.972 28.738 0.028 0.000 1.308 229 Q HN 0.160 nan 8.270 nan 0.000 0.461 230 P HA 0.089 nan 4.420 nan 0.000 0.272 230 P C 0.161 177.592 177.300 0.218 0.000 1.230 230 P CA -0.030 63.223 63.100 0.256 0.000 0.788 230 P CB 1.071 32.970 31.700 0.331 0.000 0.949 231 S N -0.273 115.608 115.700 0.302 0.000 2.371 231 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 231 S C 0.580 175.134 174.600 -0.076 0.000 1.029 231 S CA 0.846 59.121 58.200 0.125 0.000 0.978 231 S CB -0.330 63.016 63.200 0.243 0.000 0.833 231 S HN 0.424 nan 8.310 nan 0.000 0.466 232 E N 0.178 120.212 120.200 -0.277 0.000 2.410 232 E HA 0.434 4.784 4.350 -0.000 0.000 0.269 232 E C -0.466 175.861 176.600 -0.455 0.000 0.937 232 E CA -0.668 55.422 56.400 -0.517 0.000 0.793 232 E CB 1.441 30.530 29.700 -1.019 0.000 1.314 232 E HN 0.054 nan 8.360 nan 0.000 0.447 233 K N 0.300 120.465 120.400 -0.392 0.000 2.487 233 K HA 0.098 4.418 4.320 -0.000 0.000 0.192 233 K C -0.485 176.134 176.600 0.031 0.000 1.027 233 K CA 0.369 56.614 56.287 -0.070 0.000 1.054 233 K CB -0.214 32.334 32.500 0.079 0.000 0.824 233 K HN 0.361 nan 8.250 nan 0.000 0.510 234 F N -3.716 116.123 119.950 -0.185 0.000 2.741 234 F HA 0.469 4.996 4.527 -0.000 0.000 0.311 234 F C -1.632 174.019 175.800 -0.249 0.000 1.149 234 F CA -1.977 55.939 58.000 -0.139 0.000 0.930 234 F CB 0.633 39.527 39.000 -0.177 0.000 1.312 234 F HN -0.230 nan 8.300 nan 0.000 0.450 235 F N 2.331 122.290 119.950 0.016 0.000 2.493 235 F HA 0.590 5.117 4.527 -0.000 0.000 0.329 235 F C -1.287 174.622 175.800 0.182 0.000 1.126 235 F CA -1.239 56.713 58.000 -0.079 0.000 0.937 235 F CB 1.065 40.077 39.000 0.020 0.000 1.146 235 F HN 0.435 nan 8.300 nan 0.000 0.442 236 Y N 7.199 127.274 120.300 -0.375 0.000 2.697 236 Y HA 0.081 4.631 4.550 -0.000 0.000 0.349 236 Y C 1.479 177.201 175.900 -0.297 0.000 1.120 236 Y CA -0.027 57.915 58.100 -0.265 0.000 1.468 236 Y CB 0.059 38.358 38.460 -0.269 0.000 1.182 236 Y HN 0.630 nan 8.280 nan 0.000 0.525 237 I N 2.632 123.276 120.570 0.123 0.000 3.294 237 I HA -0.225 3.945 4.170 -0.000 0.000 0.287 237 I C 0.235 176.346 176.117 -0.010 0.000 1.328 237 I CA 1.322 62.684 61.300 0.104 0.000 1.375 237 I CB -0.065 38.006 38.000 0.118 0.000 1.045 237 I HN 0.666 nan 8.210 nan 0.000 0.522 238 D N -2.166 118.203 120.400 -0.052 0.000 2.704 238 D HA 0.166 4.806 4.640 -0.000 0.000 0.291 238 D C 0.236 176.481 176.300 -0.092 0.000 1.610 238 D CA -0.059 53.897 54.000 -0.074 0.000 0.807 238 D CB -0.630 40.129 40.800 -0.069 0.000 1.233 238 D HN 0.099 nan 8.370 nan 0.000 0.445 239 G N -0.255 108.482 108.800 -0.104 0.000 2.890 239 G HA2 0.308 4.268 3.960 -0.000 0.000 0.189 239 G HA3 0.308 4.268 3.960 -0.000 0.000 0.189 239 G C 0.485 175.346 174.900 -0.065 0.000 1.342 239 G CA -0.598 44.454 45.100 -0.080 0.000 1.026 239 G HN 0.077 nan 8.290 nan 0.000 0.579 240 N N -0.079 118.597 118.700 -0.040 0.000 2.239 240 N HA 0.020 4.760 4.740 -0.000 0.000 0.208 240 N C 0.151 175.656 175.510 -0.008 0.000 1.200 240 N CA -0.132 52.912 53.050 -0.011 0.000 0.895 240 N CB 0.919 39.408 38.487 0.004 0.000 1.085 240 N HN 0.670 nan 8.380 nan 0.000 0.500 241 E N 2.546 122.708 120.200 -0.063 0.000 2.480 241 E HA -0.011 4.339 4.350 -0.000 0.000 0.258 241 E C -0.472 176.135 176.600 0.012 0.000 0.984 241 E CA 0.210 56.568 56.400 -0.070 0.000 0.930 241 E CB 0.438 30.040 29.700 -0.163 0.000 0.936 241 E HN 0.002 nan 8.360 nan 0.000 0.466 242 N N 3.285 121.991 118.700 0.010 0.000 2.503 242 N HA 0.129 4.869 4.740 -0.000 0.000 0.267 242 N C -0.842 174.612 175.510 -0.093 0.000 1.214 242 N CA -0.117 52.928 53.050 -0.009 0.000 0.959 242 N CB 0.520 38.936 38.487 -0.118 0.000 1.142 242 N HN 0.533 nan 8.380 nan 0.000 0.455 243 F N 2.633 122.411 119.950 -0.287 0.000 2.308 243 F HA 0.186 4.713 4.527 -0.000 0.000 0.370 243 F C 0.155 175.711 175.800 -0.407 0.000 1.100 243 F CA -0.945 56.860 58.000 -0.325 0.000 1.108 243 F CB 0.398 39.190 39.000 -0.347 0.000 1.293 243 F HN 0.342 nan 8.300 nan 0.000 0.478 244 H N 5.113 124.426 119.070 0.406 0.000 2.610 244 H HA 0.331 4.887 4.556 0.000 0.000 0.336 244 H C -0.511 174.913 175.328 0.160 0.000 1.087 244 H CA -0.373 55.789 56.048 0.190 0.000 1.405 244 H CB 1.829 31.670 29.762 0.132 0.000 1.460 244 H HN 0.299 nan 8.280 nan 0.000 0.538 245 V N 2.867 122.882 119.914 0.168 0.000 2.443 245 V HA 0.129 4.249 4.120 -0.000 0.000 0.293 245 V C 0.169 176.308 176.094 0.074 0.000 1.021 245 V CA -0.824 61.529 62.300 0.088 0.000 0.848 245 V CB 1.455 33.275 31.823 -0.005 0.000 0.998 245 V HN 0.724 nan 8.190 nan 0.000 0.424 246 S N 5.692 121.431 115.700 0.065 0.000 2.565 246 S HA 0.667 5.137 4.470 -0.000 0.000 0.274 246 S C -0.201 174.402 174.600 0.004 0.000 1.309 246 S CA -0.316 57.902 58.200 0.030 0.000 1.043 246 S CB 0.869 64.083 63.200 0.024 0.000 0.939 246 S HN 0.568 nan 8.310 nan 0.000 0.504 247 I N 2.927 123.491 120.570 -0.011 0.000 2.418 247 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 247 I C -0.060 176.045 176.117 -0.020 0.000 1.008 247 I CA -0.517 60.769 61.300 -0.025 0.000 1.104 247 I CB 1.884 39.859 38.000 -0.041 0.000 1.264 247 I HN 0.583 nan 8.210 nan 0.000 0.438 248 T N 2.633 117.177 114.554 -0.018 0.000 2.855 248 T HA 0.856 5.206 4.350 -0.000 0.000 0.281 248 T C -0.424 174.273 174.700 -0.006 0.000 1.007 248 T CA -0.877 61.215 62.100 -0.013 0.000 1.009 248 T CB 2.261 71.121 68.868 -0.012 0.000 0.983 248 T HN 0.676 nan 8.240 nan 0.000 0.455 249 A N 2.957 125.783 122.820 0.010 0.000 2.414 249 A HA 0.773 5.093 4.320 -0.000 0.000 0.286 249 A C -0.421 177.193 177.584 0.050 0.000 1.073 249 A CA -0.969 51.104 52.037 0.060 0.000 0.727 249 A CB 1.086 20.152 19.000 0.111 0.000 1.215 249 A HN 0.813 nan 8.150 nan 0.000 0.430 250 R N 1.167 121.702 120.500 0.058 0.000 2.604 250 R HA 0.416 4.756 4.340 -0.000 0.000 0.281 250 R C -1.459 174.842 176.300 0.002 0.000 1.020 250 R CA -0.673 55.441 56.100 0.023 0.000 0.899 250 R CB 1.728 32.039 30.300 0.018 0.000 1.205 250 R HN 0.723 nan 8.270 nan 0.000 0.450 251 Y N 2.495 122.704 120.300 -0.152 0.000 2.805 251 Y HA -0.161 4.389 4.550 -0.000 0.000 0.337 251 Y C 1.789 177.483 175.900 -0.344 0.000 1.252 251 Y CA 0.422 58.302 58.100 -0.368 0.000 1.515 251 Y CB 0.411 38.223 38.460 -1.081 0.000 1.305 251 Y HN 0.568 nan 8.280 nan 0.000 0.600 252 L N 2.424 123.581 121.223 -0.109 0.000 2.137 252 L HA -0.325 4.015 4.340 -0.000 0.000 0.213 252 L C 1.819 178.663 176.870 -0.043 0.000 1.085 252 L CA 1.541 56.333 54.840 -0.079 0.000 0.760 252 L CB -0.787 41.225 42.059 -0.078 0.000 0.893 252 L HN 0.828 nan 8.230 nan 0.000 0.434 253 Y N -0.765 119.561 120.300 0.043 0.000 2.578 253 Y HA 0.392 4.942 4.550 -0.000 0.000 0.297 253 Y C 1.418 177.344 175.900 0.043 0.000 1.176 253 Y CA -0.298 57.794 58.100 -0.013 0.000 1.315 253 Y CB -0.956 37.447 38.460 -0.094 0.000 1.031 253 Y HN 0.076 nan 8.280 nan 0.000 0.524 254 G N -0.298 108.551 108.800 0.082 0.000 2.140 254 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.211 254 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.211 254 G C -0.458 174.506 174.900 0.105 0.000 1.013 254 G CA -0.051 45.104 45.100 0.092 0.000 0.705 254 G HN 0.328 nan 8.290 nan 0.000 0.508 255 E N 0.171 120.434 120.200 0.104 0.000 2.299 255 E HA 0.448 4.798 4.350 -0.000 0.000 0.265 255 E C 0.173 176.841 176.600 0.113 0.000 0.911 255 E CA -0.809 55.643 56.400 0.087 0.000 0.789 255 E CB 1.088 30.859 29.700 0.118 0.000 1.246 255 E HN 0.506 nan 8.360 nan 0.000 0.427 256 E N 0.464 120.698 120.200 0.057 0.000 2.360 256 E HA 0.197 4.547 4.350 -0.000 0.000 0.269 256 E C -0.331 176.352 176.600 0.137 0.000 1.022 256 E CA -0.194 56.244 56.400 0.063 0.000 0.887 256 E CB 1.136 30.843 29.700 0.013 0.000 0.990 256 E HN 0.045 nan 8.360 nan 0.000 0.426 257 V N 2.848 122.790 119.914 0.047 0.000 2.686 257 V HA 0.126 4.246 4.120 -0.000 0.000 0.295 257 V C -0.031 176.036 176.094 -0.045 0.000 1.057 257 V CA -0.131 62.134 62.300 -0.059 0.000 1.012 257 V CB 1.659 33.253 31.823 -0.382 0.000 1.006 257 V HN 0.666 nan 8.190 nan 0.000 0.477 258 E N 1.753 121.936 120.200 -0.029 0.000 2.199 258 E HA 0.727 5.077 4.350 -0.000 0.000 0.269 258 E C 0.038 176.598 176.600 -0.067 0.000 0.899 258 E CA 0.397 56.785 56.400 -0.021 0.000 0.772 258 E CB 1.801 31.524 29.700 0.038 0.000 1.155 258 E HN 0.877 nan 8.360 nan 0.000 0.408 259 G N 1.164 109.925 108.800 -0.065 0.000 2.441 259 G HA2 0.329 4.289 3.960 -0.000 0.000 0.225 259 G HA3 0.329 4.289 3.960 -0.000 0.000 0.225 259 G C -1.541 173.281 174.900 -0.131 0.000 1.200 259 G CA -0.120 44.931 45.100 -0.082 0.000 0.947 259 G HN 0.515 nan 8.290 nan 0.000 0.484 260 V N 0.254 120.041 119.914 -0.212 0.000 2.808 260 V HA 0.818 4.938 4.120 -0.000 0.000 0.308 260 V C -0.177 175.676 176.094 -0.403 0.000 1.099 260 V CA -0.076 61.991 62.300 -0.388 0.000 0.920 260 V CB 1.397 32.771 31.823 -0.748 0.000 1.014 260 V HN 1.893 nan 8.190 nan 0.000 0.425 261 A N 3.948 126.545 122.820 -0.372 0.000 2.374 261 A HA 0.904 5.224 4.320 -0.000 0.000 0.305 261 A C -1.243 176.211 177.584 -0.216 0.000 1.053 261 A CA -0.400 51.430 52.037 -0.345 0.000 0.726 261 A CB 0.935 19.815 19.000 -0.200 0.000 1.229 261 A HN 0.537 nan 8.150 nan 0.000 0.431 262 F N 1.944 121.743 119.950 -0.252 0.000 2.424 262 F HA 0.487 5.014 4.527 -0.000 0.000 0.356 262 F C 0.225 175.756 175.800 -0.450 0.000 1.110 262 F CA -1.081 56.670 58.000 -0.415 0.000 1.161 262 F CB 1.145 39.780 39.000 -0.609 0.000 1.115 262 F HN 0.198 nan 8.300 nan 0.000 0.507 263 V N 5.591 125.328 119.914 -0.294 0.000 2.448 263 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 263 V C -0.609 175.130 176.094 -0.592 0.000 1.025 263 V CA -0.796 61.231 62.300 -0.455 0.000 0.859 263 V CB 1.854 33.359 31.823 -0.530 0.000 0.988 263 V HN 0.567 nan 8.190 nan 0.000 0.431 264 L N 5.195 126.084 121.223 -0.556 0.000 2.341 264 L HA 0.788 5.128 4.340 -0.000 0.000 0.278 264 L C -1.229 175.329 176.870 -0.519 0.000 1.005 264 L CA 0.176 54.757 54.840 -0.433 0.000 0.818 264 L CB 1.349 43.300 42.059 -0.180 0.000 1.259 264 L HN 0.393 nan 8.230 nan 0.000 0.418 265 F N 2.933 122.722 119.950 -0.269 0.000 2.440 265 F HA 0.929 5.456 4.527 -0.000 0.000 0.328 265 F C 1.003 176.427 175.800 -0.626 0.000 1.070 265 F CA 0.103 57.825 58.000 -0.463 0.000 1.011 265 F CB 2.031 40.734 39.000 -0.494 0.000 1.226 265 F HN 0.726 nan 8.300 nan 0.000 0.491 266 G N -0.033 108.224 108.800 -0.906 0.000 2.606 266 G HA2 0.592 4.552 3.960 -0.000 0.000 0.300 266 G HA3 0.592 4.552 3.960 -0.000 0.000 0.300 266 G C -2.349 172.040 174.900 -0.852 0.000 1.360 266 G CA -0.709 43.794 45.100 -0.994 0.000 0.783 266 G HN 0.494 nan 8.290 nan 0.000 0.484 267 V N 0.030 119.846 119.914 -0.162 0.000 2.735 267 V HA 0.574 4.694 4.120 -0.000 0.000 0.310 267 V C -0.283 175.982 176.094 0.285 0.000 1.061 267 V CA -0.919 61.439 62.300 0.097 0.000 0.913 267 V CB 2.023 33.944 31.823 0.164 0.000 1.005 267 V HN 0.687 nan 8.190 nan 0.000 0.428 268 K N 4.627 125.199 120.400 0.286 0.000 2.300 268 K HA 0.493 4.813 4.320 -0.000 0.000 0.264 268 K C -0.076 176.612 176.600 0.145 0.000 1.083 268 K CA -0.461 55.962 56.287 0.227 0.000 0.958 268 K CB 0.463 33.088 32.500 0.208 0.000 1.318 268 K HN 0.746 nan 8.250 nan 0.000 0.448 269 I N 2.133 122.720 120.570 0.028 0.000 2.349 269 I HA 0.078 4.248 4.170 -0.000 0.000 0.302 269 I C -0.280 175.924 176.117 0.145 0.000 1.180 269 I CA -0.540 60.750 61.300 -0.018 0.000 1.405 269 I CB -0.371 37.514 38.000 -0.192 0.000 1.474 269 I HN 0.649 nan 8.210 nan 0.000 0.632 270 D N 4.080 124.631 120.400 0.251 0.000 3.996 270 D HA -0.290 4.350 4.640 -0.000 0.000 0.140 270 D C 0.431 176.779 176.300 0.080 0.000 0.829 270 D CA 2.151 56.235 54.000 0.139 0.000 1.111 270 D CB -0.572 40.297 40.800 0.115 0.000 0.516 270 D HN 0.696 nan 8.370 nan 0.000 0.517 271 D N 1.455 121.888 120.400 0.055 0.000 2.460 271 D HA 0.542 5.182 4.640 -0.000 0.000 0.229 271 D C -0.119 176.194 176.300 0.021 0.000 1.170 271 D CA 0.475 54.491 54.000 0.027 0.000 0.827 271 D CB -0.063 40.747 40.800 0.018 0.000 0.973 271 D HN 0.452 nan 8.370 nan 0.000 0.496 272 A N 0.123 122.964 122.820 0.036 0.000 2.413 272 A HA 0.637 4.957 4.320 -0.000 0.000 0.307 272 A C -0.068 177.548 177.584 0.054 0.000 1.087 272 A CA -0.748 51.309 52.037 0.034 0.000 0.750 272 A CB 2.280 21.303 19.000 0.038 0.000 1.296 272 A HN -0.101 nan 8.150 nan 0.000 0.423 273 K N 0.344 120.782 120.400 0.063 0.000 2.238 273 K HA 0.673 4.993 4.320 -0.000 0.000 0.239 273 K C -1.074 175.651 176.600 0.207 0.000 0.987 273 K CA -0.722 55.658 56.287 0.155 0.000 0.857 273 K CB 2.001 34.535 32.500 0.056 0.000 1.154 273 K HN 0.557 nan 8.250 nan 0.000 0.439 274 K N 0.871 121.462 120.400 0.318 0.000 2.695 274 K HA 0.204 4.524 4.320 -0.000 0.000 0.255 274 K C -1.249 175.484 176.600 0.221 0.000 1.016 274 K CA -0.175 56.268 56.287 0.260 0.000 0.928 274 K CB 1.746 34.439 32.500 0.322 0.000 1.235 274 K HN 0.536 nan 8.250 nan 0.000 0.467 275 S N 2.671 118.476 115.700 0.175 0.000 2.573 275 S HA 0.177 4.647 4.470 -0.000 0.000 0.277 275 S C 0.681 175.258 174.600 -0.037 0.000 1.346 275 S CA -0.109 58.151 58.200 0.100 0.000 1.034 275 S CB 0.294 63.596 63.200 0.170 0.000 0.879 275 S HN 0.452 nan 8.310 nan 0.000 0.528 276 I N 3.224 123.725 120.570 -0.114 0.000 2.373 276 I HA 0.180 4.350 4.170 -0.000 0.000 0.287 276 I C -1.894 174.177 176.117 -0.078 0.000 1.124 276 I CA -1.992 59.200 61.300 -0.180 0.000 1.273 276 I CB 0.052 37.900 38.000 -0.253 0.000 1.578 276 I HN 0.386 nan 8.210 nan 0.000 0.572 277 P HA -0.253 nan 4.420 nan 0.000 0.221 277 P C 0.794 178.104 177.300 0.016 0.000 1.160 277 P CA 1.798 64.927 63.100 0.048 0.000 0.933 277 P CB 0.110 31.814 31.700 0.006 0.000 0.793 278 D N -1.299 119.086 120.400 -0.026 0.000 2.309 278 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 278 D C 1.856 178.139 176.300 -0.028 0.000 0.968 278 D CA 1.374 55.357 54.000 -0.028 0.000 0.882 278 D CB -0.745 40.034 40.800 -0.035 0.000 0.918 278 D HN 0.291 nan 8.370 nan 0.000 0.503 279 S N 0.281 115.965 115.700 -0.026 0.000 2.481 279 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 279 S C 0.963 175.539 174.600 -0.040 0.000 0.996 279 S CA -0.297 57.913 58.200 0.016 0.000 0.942 279 S CB -0.742 62.511 63.200 0.088 0.000 0.768 279 S HN 0.371 nan 8.310 nan 0.000 0.520 280 L N 3.132 124.299 121.223 -0.094 0.000 2.500 280 L HA 0.536 4.876 4.340 -0.000 0.000 0.272 280 L C -0.380 176.361 176.870 -0.215 0.000 1.149 280 L CA 0.392 55.108 54.840 -0.207 0.000 0.897 280 L CB 0.052 42.003 42.059 -0.180 0.000 1.178 280 L HN 0.310 nan 8.230 nan 0.000 0.473 281 T N 2.134 116.534 114.554 -0.257 0.000 2.883 281 T HA 0.517 4.867 4.350 -0.000 0.000 0.301 281 T C -0.563 174.022 174.700 -0.191 0.000 1.158 281 T CA -1.003 60.978 62.100 -0.198 0.000 1.007 281 T CB 1.411 70.209 68.868 -0.116 0.000 1.186 281 T HN 0.832 nan 8.240 nan 0.000 0.499 282 R N 0.727 121.136 120.500 -0.151 0.000 2.460 282 R HA 0.717 5.057 4.340 -0.000 0.000 0.303 282 R C -1.606 174.606 176.300 -0.147 0.000 0.968 282 R CA -0.796 55.264 56.100 -0.067 0.000 0.889 282 R CB 0.550 30.802 30.300 -0.081 0.000 1.123 282 R HN 0.634 nan 8.270 nan 0.000 0.455 283 I N 5.527 125.995 120.570 -0.170 0.000 2.607 283 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 283 I C -2.426 173.556 176.117 -0.225 0.000 1.129 283 I CA -2.354 58.836 61.300 -0.183 0.000 1.042 283 I CB 2.262 40.190 38.000 -0.119 0.000 1.242 283 I HN 0.521 nan 8.210 nan 0.000 0.421 284 P HA 0.282 nan 4.420 nan 0.000 0.276 284 P C -0.723 176.527 177.300 -0.083 0.000 1.264 284 P CA -0.157 62.861 63.100 -0.138 0.000 0.769 284 P CB 0.238 31.939 31.700 0.000 0.000 0.840 285 I N 5.698 126.212 120.570 -0.093 0.000 2.322 285 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 285 I C 0.230 176.325 176.117 -0.038 0.000 1.060 285 I CA 0.214 61.475 61.300 -0.064 0.000 1.309 285 I CB -0.229 37.725 38.000 -0.076 0.000 1.415 285 I HN 0.164 nan 8.210 nan 0.000 0.492 286 I N 5.309 125.867 120.570 -0.021 0.000 2.441 286 I HA 0.271 4.441 4.170 -0.000 0.000 0.295 286 I C 0.298 176.409 176.117 -0.010 0.000 0.994 286 I CA -0.605 60.691 61.300 -0.008 0.000 1.144 286 I CB 1.302 39.303 38.000 0.001 0.000 1.314 286 I HN 0.500 nan 8.210 nan 0.000 0.445 287 D N 5.140 125.537 120.400 -0.006 0.000 2.702 287 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 287 D C 1.344 177.639 176.300 -0.009 0.000 1.164 287 D CA 1.602 55.597 54.000 -0.007 0.000 0.638 287 D CB -0.849 39.944 40.800 -0.012 0.000 1.041 287 D HN 1.138 nan 8.370 nan 0.000 0.422 288 G N -0.911 107.882 108.800 -0.011 0.000 2.205 288 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.261 288 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.261 288 G C -0.035 174.856 174.900 -0.016 0.000 0.980 288 G CA 0.517 45.609 45.100 -0.013 0.000 0.632 288 G HN 0.482 nan 8.290 nan 0.000 0.533 289 D N 0.193 120.583 120.400 -0.017 0.000 2.299 289 D HA 0.709 5.349 4.640 -0.000 0.000 0.243 289 D C 0.503 176.788 176.300 -0.024 0.000 0.982 289 D CA 0.857 54.846 54.000 -0.018 0.000 0.924 289 D CB 1.526 42.318 40.800 -0.015 0.000 1.238 289 D HN 1.096 nan 8.370 nan 0.000 0.484 290 G N -0.026 108.759 108.800 -0.023 0.000 2.404 290 G HA2 0.382 4.342 3.960 -0.000 0.000 0.298 290 G HA3 0.382 4.342 3.960 -0.000 0.000 0.298 290 G C -1.611 173.278 174.900 -0.019 0.000 1.577 290 G CA -0.920 44.165 45.100 -0.025 0.000 0.847 290 G HN 0.354 nan 8.290 nan 0.000 0.598 291 K N 0.207 120.602 120.400 -0.007 0.000 2.206 291 K HA 0.807 5.127 4.320 -0.000 0.000 0.264 291 K C -0.100 176.518 176.600 0.031 0.000 0.967 291 K CA -0.232 56.067 56.287 0.020 0.000 0.844 291 K CB 1.717 34.236 32.500 0.031 0.000 1.099 291 K HN 1.089 nan 8.250 nan 0.000 0.441 292 A N 3.432 126.281 122.820 0.048 0.000 2.273 292 A HA 0.471 4.791 4.320 -0.000 0.000 0.315 292 A C -0.850 176.853 177.584 0.197 0.000 1.256 292 A CA -0.622 51.447 52.037 0.052 0.000 0.851 292 A CB 0.809 19.772 19.000 -0.062 0.000 1.172 292 A HN 0.730 nan 8.150 nan 0.000 0.508 293 T N 2.647 117.322 114.554 0.203 0.000 2.859 293 T HA 0.515 4.865 4.350 -0.000 0.000 0.281 293 T C -0.534 174.264 174.700 0.162 0.000 1.005 293 T CA -0.307 61.895 62.100 0.170 0.000 1.025 293 T CB 1.212 70.172 68.868 0.152 0.000 0.977 293 T HN 0.620 nan 8.240 nan 0.000 0.458 294 L N 2.859 123.929 121.223 -0.255 0.000 2.296 294 L HA 0.734 5.074 4.340 -0.000 0.000 0.286 294 L C -0.414 176.323 176.870 -0.222 0.000 1.023 294 L CA -0.843 53.716 54.840 -0.469 0.000 0.812 294 L CB 1.076 42.254 42.059 -1.469 0.000 1.223 294 L HN 0.330 nan 8.230 nan 0.000 0.421 295 K N 2.801 123.145 120.400 -0.094 0.000 2.201 295 K HA 0.345 4.665 4.320 -0.000 0.000 0.278 295 K C 0.907 177.546 176.600 0.064 0.000 1.027 295 K CA -0.265 56.017 56.287 -0.008 0.000 0.909 295 K CB 1.410 33.917 32.500 0.013 0.000 1.062 295 K HN 0.588 nan 8.250 nan 0.000 0.465 296 R N 2.331 122.905 120.500 0.124 0.000 2.103 296 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 296 R C 0.360 176.769 176.300 0.182 0.000 1.142 296 R CA 2.310 58.545 56.100 0.225 0.000 0.960 296 R CB -0.392 30.007 30.300 0.165 0.000 0.858 296 R HN 0.852 nan 8.270 nan 0.000 0.439 297 D N -1.590 118.873 120.400 0.104 0.000 2.117 297 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 297 D C 1.676 178.021 176.300 0.075 0.000 0.987 297 D CA 1.967 56.012 54.000 0.075 0.000 0.829 297 D CB -0.454 40.374 40.800 0.047 0.000 0.961 297 D HN 0.247 nan 8.370 nan 0.000 0.460 298 T N 0.687 115.278 114.554 0.062 0.000 2.684 298 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 298 T C 1.607 176.355 174.700 0.080 0.000 1.036 298 T CA 0.686 62.805 62.100 0.032 0.000 1.148 298 T CB -0.492 68.371 68.868 -0.009 0.000 0.863 298 T HN 0.044 nan 8.240 nan 0.000 0.436 299 F N 2.836 122.746 119.950 -0.066 0.000 2.043 299 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 299 F C 2.404 178.188 175.800 -0.026 0.000 1.121 299 F CA 1.177 59.136 58.000 -0.068 0.000 1.199 299 F CB -0.624 38.371 39.000 -0.008 0.000 0.968 299 F HN 0.028 nan 8.300 nan 0.000 0.478 300 R N -0.566 120.054 120.500 0.200 0.000 2.091 300 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 300 R C 2.309 178.653 176.300 0.073 0.000 1.136 300 R CA 1.614 57.760 56.100 0.077 0.000 0.959 300 R CB -0.995 29.329 30.300 0.040 0.000 0.856 300 R HN 0.189 nan 8.270 nan 0.000 0.437 301 S N 0.277 116.007 115.700 0.050 0.000 2.500 301 S HA -0.096 4.374 4.470 -0.000 0.000 0.239 301 S C 1.707 176.285 174.600 -0.038 0.000 0.989 301 S CA 0.999 59.206 58.200 0.011 0.000 0.951 301 S CB -0.085 63.117 63.200 0.003 0.000 0.759 301 S HN 0.175 nan 8.310 nan 0.000 0.523 302 R N 0.063 120.506 120.500 -0.096 0.000 2.175 302 R HA 0.227 4.567 4.340 -0.000 0.000 0.202 302 R C -0.378 175.714 176.300 -0.347 0.000 1.018 302 R CA 0.921 56.819 56.100 -0.338 0.000 1.029 302 R CB 0.008 29.933 30.300 -0.624 0.000 0.959 302 R HN 0.238 nan 8.270 nan 0.000 0.480 303 F N 1.187 121.222 119.950 0.141 0.000 2.623 303 F HA 0.431 4.958 4.527 -0.000 0.000 0.361 303 F C -1.805 174.009 175.800 0.023 0.000 1.469 303 F CA -2.818 55.236 58.000 0.091 0.000 1.126 303 F CB 1.592 40.681 39.000 0.149 0.000 1.221 303 F HN -0.011 nan 8.300 nan 0.000 0.536 304 P HA -0.162 nan 4.420 nan 0.000 0.221 304 P C 0.537 177.885 177.300 0.080 0.000 1.145 304 P CA 0.935 64.091 63.100 0.092 0.000 0.795 304 P CB 0.269 32.008 31.700 0.065 0.000 0.775 305 N N 1.015 119.778 118.700 0.105 0.000 2.739 305 N HA 0.000 4.740 4.740 -0.000 0.000 0.266 305 N C 1.199 176.734 175.510 0.041 0.000 1.168 305 N CA -0.191 52.898 53.050 0.065 0.000 1.055 305 N CB -0.547 37.979 38.487 0.064 0.000 1.393 305 N HN -0.184 nan 8.380 nan 0.000 0.514 306 L N 2.892 124.130 121.223 0.025 0.000 2.051 306 L HA -0.196 4.144 4.340 -0.000 0.000 0.214 306 L C 2.000 178.871 176.870 0.001 0.000 1.076 306 L CA 1.543 56.385 54.840 0.004 0.000 0.758 306 L CB -1.236 40.821 42.059 -0.004 0.000 0.890 306 L HN 0.625 nan 8.230 nan 0.000 0.433 307 N N 0.123 118.828 118.700 0.008 0.000 2.322 307 N HA -0.247 4.493 4.740 -0.000 0.000 0.189 307 N C 1.545 177.062 175.510 0.011 0.000 1.012 307 N CA 1.564 54.622 53.050 0.013 0.000 0.880 307 N CB 0.116 38.612 38.487 0.015 0.000 0.967 307 N HN 0.604 nan 8.380 nan 0.000 0.439 308 E N -0.062 120.123 120.200 -0.025 0.000 2.158 308 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 308 E C 2.031 178.573 176.600 -0.097 0.000 0.982 308 E CA 0.420 56.774 56.400 -0.076 0.000 0.823 308 E CB 0.083 29.689 29.700 -0.156 0.000 0.766 308 E HN 0.408 nan 8.360 nan 0.000 0.468 309 L N 1.071 122.246 121.223 -0.080 0.000 2.217 309 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 309 L C 0.874 177.928 176.870 0.307 0.000 1.107 309 L CA 0.071 54.917 54.840 0.011 0.000 0.783 309 L CB -0.511 41.562 42.059 0.022 0.000 0.919 309 L HN -0.063 nan 8.230 nan 0.000 0.442 310 V N 2.363 122.387 119.914 0.185 0.000 2.795 310 V HA -0.117 4.003 4.120 -0.000 0.000 0.298 310 V C 1.369 177.526 176.094 0.105 0.000 1.107 310 V CA 1.321 63.703 62.300 0.137 0.000 1.270 310 V CB -0.996 30.874 31.823 0.079 0.000 0.831 310 V HN 0.728 nan 8.190 nan 0.000 0.473 311 G N 3.584 112.420 108.800 0.060 0.000 2.351 311 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.297 311 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.297 311 G C -0.236 174.493 174.900 -0.285 0.000 1.054 311 G CA 0.653 45.725 45.100 -0.046 0.000 1.123 311 G HN 1.048 nan 8.290 nan 0.000 0.512 312 H N -0.983 118.166 119.070 0.132 0.000 3.747 312 H HA 0.862 5.418 4.556 -0.000 0.000 0.343 312 H C 0.422 175.798 175.328 0.080 0.000 1.692 312 H CA 0.032 56.134 56.048 0.091 0.000 1.262 312 H CB 1.404 31.199 29.762 0.056 0.000 1.557 312 H HN 0.580 nan 8.280 nan 0.000 0.722 313 T N -0.040 114.654 114.554 0.232 0.000 2.991 313 T HA 0.424 4.774 4.350 -0.000 0.000 0.303 313 T C -1.136 173.664 174.700 0.166 0.000 1.015 313 T CA -0.841 61.331 62.100 0.121 0.000 1.007 313 T CB 0.982 69.853 68.868 0.005 0.000 1.034 313 T HN 0.237 nan 8.240 nan 0.000 0.446 314 L N 3.984 125.297 121.223 0.151 0.000 2.426 314 L HA 0.564 4.904 4.340 -0.000 0.000 0.271 314 L C -0.438 176.492 176.870 0.100 0.000 1.169 314 L CA -0.176 54.688 54.840 0.039 0.000 0.836 314 L CB -0.103 41.972 42.059 0.027 0.000 1.112 314 L HN 0.833 nan 8.230 nan 0.000 0.465 315 Y N 1.953 122.256 120.300 0.004 0.000 2.492 315 Y HA 0.820 5.370 4.550 -0.000 0.000 0.346 315 Y C -0.887 175.022 175.900 0.016 0.000 0.997 315 Y CA -1.758 56.344 58.100 0.004 0.000 1.025 315 Y CB 1.244 39.703 38.460 -0.000 0.000 1.263 315 Y HN 0.661 nan 8.280 nan 0.000 0.454 316 A N 2.772 125.714 122.820 0.203 0.000 2.293 316 A HA 0.585 4.905 4.320 -0.000 0.000 0.312 316 A C -0.747 176.861 177.584 0.040 0.000 1.309 316 A CA -0.693 51.370 52.037 0.043 0.000 0.839 316 A CB 0.383 19.377 19.000 -0.012 0.000 1.155 316 A HN 0.708 nan 8.150 nan 0.000 0.501 317 S N 1.459 117.186 115.700 0.044 0.000 2.422 317 S HA 0.375 4.845 4.470 -0.000 0.000 0.283 317 S C -0.344 174.183 174.600 -0.120 0.000 1.163 317 S CA -0.126 58.078 58.200 0.006 0.000 1.054 317 S CB 0.358 63.615 63.200 0.095 0.000 0.967 317 S HN 0.798 nan 8.310 nan 0.000 0.499 318 V N 5.764 125.616 119.914 -0.103 0.000 2.448 318 V HA 0.563 4.683 4.120 -0.000 0.000 0.295 318 V C -0.418 175.629 176.094 -0.077 0.000 1.025 318 V CA -0.242 61.981 62.300 -0.128 0.000 0.859 318 V CB 2.079 33.818 31.823 -0.139 0.000 0.988 318 V HN 0.834 nan 8.190 nan 0.000 0.431 319 T N 5.927 120.442 114.554 -0.065 0.000 2.786 319 T HA 0.593 4.943 4.350 -0.000 0.000 0.283 319 T C -0.713 173.914 174.700 -0.123 0.000 0.992 319 T CA -0.279 61.794 62.100 -0.045 0.000 0.954 319 T CB 1.517 70.430 68.868 0.075 0.000 0.934 319 T HN 0.472 nan 8.240 nan 0.000 0.440 320 V N 4.443 124.314 119.914 -0.071 0.000 2.864 320 V HA 0.790 4.910 4.120 -0.000 0.000 0.314 320 V C -0.868 175.249 176.094 0.039 0.000 1.073 320 V CA -1.011 61.258 62.300 -0.050 0.000 0.956 320 V CB 2.148 34.001 31.823 0.050 0.000 1.023 320 V HN 0.944 nan 8.190 nan 0.000 0.435 321 M N 4.146 123.709 119.600 -0.062 0.000 2.206 321 M HA 0.350 4.830 4.480 -0.000 0.000 0.272 321 M C -0.483 175.743 176.300 -0.124 0.000 1.012 321 M CA -0.203 55.062 55.300 -0.058 0.000 0.986 321 M CB 1.887 34.426 32.600 -0.103 0.000 1.740 321 M HN 0.747 nan 8.290 nan 0.000 0.472 322 T N 1.740 116.165 114.554 -0.214 0.000 2.937 322 T HA 0.030 4.380 4.350 -0.000 0.000 0.316 322 T C 1.179 175.850 174.700 -0.049 0.000 1.079 322 T CA 0.758 62.706 62.100 -0.253 0.000 1.131 322 T CB 0.662 69.344 68.868 -0.310 0.000 1.000 322 T HN 0.859 nan 8.240 nan 0.000 0.549 323 E N 2.490 122.685 120.200 -0.008 0.000 2.204 323 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 323 E C 1.936 178.596 176.600 0.100 0.000 0.990 323 E CA 1.639 58.094 56.400 0.091 0.000 0.821 323 E CB -0.628 29.128 29.700 0.093 0.000 0.750 323 E HN 0.605 nan 8.360 nan 0.000 0.477 324 S N -0.563 115.174 115.700 0.061 0.000 2.555 324 S HA 0.141 4.611 4.470 -0.000 0.000 0.230 324 S C 1.882 176.520 174.600 0.063 0.000 0.978 324 S CA 0.291 58.525 58.200 0.056 0.000 0.934 324 S CB -0.630 62.599 63.200 0.048 0.000 0.766 324 S HN 0.744 nan 8.310 nan 0.000 0.533 325 G N 1.098 109.945 108.800 0.079 0.000 2.189 325 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.267 325 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.267 325 G C 1.091 176.051 174.900 0.101 0.000 0.975 325 G CA 1.155 46.313 45.100 0.097 0.000 0.644 325 G HN 1.147 nan 8.290 nan 0.000 0.537 326 S N -0.780 114.967 115.700 0.079 0.000 2.311 326 S HA 0.216 4.686 4.470 -0.000 0.000 0.209 326 S C 0.704 175.358 174.600 0.089 0.000 1.029 326 S CA 1.432 59.682 58.200 0.083 0.000 0.968 326 S CB 0.273 63.525 63.200 0.086 0.000 0.946 326 S HN 0.334 nan 8.310 nan 0.000 0.450 327 D N 0.543 120.988 120.400 0.075 0.000 2.340 327 D HA 0.566 5.206 4.640 -0.000 0.000 0.240 327 D C -0.874 175.526 176.300 0.167 0.000 1.001 327 D CA -0.427 53.645 54.000 0.120 0.000 0.888 327 D CB 1.835 42.731 40.800 0.159 0.000 1.310 327 D HN 0.491 nan 8.370 nan 0.000 0.474 328 M N 2.601 122.350 119.600 0.249 0.000 2.325 328 M HA 0.387 4.867 4.480 -0.000 0.000 0.285 328 M C -1.986 174.403 176.300 0.148 0.000 1.119 328 M CA -0.659 54.783 55.300 0.235 0.000 0.959 328 M CB 1.513 34.160 32.600 0.078 0.000 1.737 328 M HN 0.204 nan 8.290 nan 0.000 0.486 329 V N 2.219 122.174 119.914 0.068 0.000 3.113 329 V HA 0.993 5.113 4.120 -0.000 0.000 0.316 329 V C -0.882 175.162 176.094 -0.083 0.000 1.125 329 V CA -0.636 61.589 62.300 -0.126 0.000 1.026 329 V CB 1.616 33.135 31.823 -0.507 0.000 1.080 329 V HN 0.910 nan 8.190 nan 0.000 0.444 330 V N -0.671 119.194 119.914 -0.081 0.000 2.733 330 V HA 0.955 5.075 4.120 -0.000 0.000 0.306 330 V C -0.268 175.777 176.094 -0.082 0.000 1.084 330 V CA 0.354 62.612 62.300 -0.069 0.000 0.905 330 V CB 0.807 32.600 31.823 -0.050 0.000 1.010 330 V HN 1.468 nan 8.190 nan 0.000 0.424 331 T N 0.376 114.878 114.554 -0.087 0.000 2.669 331 T HA 0.829 5.179 4.350 -0.000 0.000 0.283 331 T C -0.898 173.760 174.700 -0.069 0.000 1.019 331 T CA -0.498 61.552 62.100 -0.082 0.000 1.039 331 T CB 2.454 71.265 68.868 -0.094 0.000 1.374 331 T HN 1.146 nan 8.240 nan 0.000 0.523 332 E N 0.433 120.597 120.200 -0.060 0.000 2.274 332 E HA 0.357 4.707 4.350 -0.000 0.000 0.269 332 E C -1.356 175.235 176.600 -0.015 0.000 0.891 332 E CA -0.642 55.737 56.400 -0.035 0.000 0.784 332 E CB 1.802 31.469 29.700 -0.055 0.000 1.225 332 E HN 0.514 nan 8.360 nan 0.000 0.412 333 Q N 3.094 122.897 119.800 0.004 0.000 2.348 333 Q HA 0.214 4.554 4.340 -0.000 0.000 0.251 333 Q C -0.943 175.099 176.000 0.070 0.000 1.113 333 Q CA 0.080 55.898 55.803 0.026 0.000 0.902 333 Q CB 0.535 29.281 28.738 0.013 0.000 1.333 333 Q HN 0.539 nan 8.270 nan 0.000 0.457 334 S N 1.944 117.680 115.700 0.061 0.000 2.776 334 S HA 0.794 5.264 4.470 -0.000 0.000 0.306 334 S C 0.789 175.435 174.600 0.076 0.000 1.114 334 S CA -0.240 58.009 58.200 0.081 0.000 0.973 334 S CB 1.050 64.269 63.200 0.032 0.000 1.250 334 S HN 1.295 nan 8.310 nan 0.000 0.549 335 G N -0.111 108.718 108.800 0.049 0.000 2.212 335 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.267 335 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.267 335 G C 0.032 174.956 174.900 0.040 0.000 1.002 335 G CA 0.309 45.408 45.100 -0.001 0.000 0.729 335 G HN 0.658 nan 8.290 nan 0.000 0.517 336 I N 1.448 122.086 120.570 0.113 0.000 2.533 336 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 336 I C 0.707 176.924 176.117 0.167 0.000 1.109 336 I CA -0.475 60.943 61.300 0.196 0.000 1.412 336 I CB 0.372 38.577 38.000 0.343 0.000 1.396 336 I HN 0.100 nan 8.210 nan 0.000 0.543 337 H N 7.051 126.239 119.070 0.197 0.000 2.527 337 H HA 0.412 4.968 4.556 -0.000 0.000 0.321 337 H C -0.183 175.289 175.328 0.240 0.000 1.087 337 H CA -0.464 55.697 56.048 0.188 0.000 1.337 337 H CB 1.447 31.292 29.762 0.138 0.000 1.440 337 H HN 0.392 nan 8.280 nan 0.000 0.490 338 I N 3.192 123.999 120.570 0.395 0.000 2.331 338 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 338 I C 0.356 176.643 176.117 0.283 0.000 0.998 338 I CA -0.726 60.806 61.300 0.385 0.000 1.267 338 I CB 0.874 39.120 38.000 0.409 0.000 1.386 338 I HN 0.201 nan 8.210 nan 0.000 0.476 339 V N 2.007 122.060 119.914 0.231 0.000 3.156 339 V HA 0.744 4.864 4.120 -0.000 0.000 0.306 339 V C 0.279 176.429 176.094 0.093 0.000 1.468 339 V CA -0.176 62.194 62.300 0.115 0.000 1.047 339 V CB 1.317 33.157 31.823 0.027 0.000 1.078 339 V HN 0.712 nan 8.190 nan 0.000 0.468 340 A N 0.266 123.084 122.820 -0.004 0.000 2.169 340 A HA 0.600 4.920 4.320 -0.000 0.000 0.210 340 A C 1.210 178.703 177.584 -0.151 0.000 1.168 340 A CA 0.900 52.888 52.037 -0.081 0.000 0.813 340 A CB -0.395 18.545 19.000 -0.100 0.000 0.861 340 A HN 1.864 nan 8.150 nan 0.000 0.481 341 S N -0.812 114.800 115.700 -0.147 0.000 2.503 341 S HA 0.587 5.057 4.470 -0.000 0.000 0.301 341 S C -2.538 171.780 174.600 -0.470 0.000 1.087 341 S CA -1.282 56.778 58.200 -0.233 0.000 1.042 341 S CB 1.936 65.027 63.200 -0.182 0.000 1.043 341 S HN -0.026 nan 8.310 nan 0.000 0.489 342 P HA 0.233 nan 4.420 nan 0.000 0.240 342 P C -0.860 175.725 177.300 -1.191 0.000 1.190 342 P CA 0.704 62.980 63.100 -1.374 0.000 0.781 342 P CB -0.096 30.897 31.700 -1.178 0.000 0.931 343 Y N -2.303 117.795 120.300 -0.338 0.000 2.818 343 Y HA 0.637 5.187 4.550 -0.000 0.000 0.322 343 Y C 0.076 175.816 175.900 -0.267 0.000 1.323 343 Y CA -1.025 56.913 58.100 -0.271 0.000 1.090 343 Y CB 1.121 39.431 38.460 -0.251 0.000 1.328 343 Y HN -0.462 nan 8.280 nan 0.000 0.482 344 Q N 2.192 121.929 119.800 -0.105 0.000 2.281 344 Q HA 0.425 4.765 4.340 -0.000 0.000 0.263 344 Q C -1.468 174.228 176.000 -0.506 0.000 0.989 344 Q CA -0.415 55.206 55.803 -0.303 0.000 0.852 344 Q CB 2.687 31.258 28.738 -0.277 0.000 1.337 344 Q HN 0.667 nan 8.270 nan 0.000 0.418 345 I N 0.272 120.513 120.570 -0.550 0.000 2.392 345 I HA 0.590 4.760 4.170 -0.000 0.000 0.295 345 I C -0.468 175.241 176.117 -0.681 0.000 0.985 345 I CA -0.655 60.310 61.300 -0.558 0.000 1.221 345 I CB 1.370 39.119 38.000 -0.420 0.000 1.366 345 I HN 0.416 nan 8.210 nan 0.000 0.467 346 H N 5.235 124.165 119.070 -0.233 0.000 2.679 346 H HA 0.409 4.965 4.556 -0.000 0.000 0.360 346 H C -0.770 174.428 175.328 -0.218 0.000 1.105 346 H CA -0.827 55.148 56.048 -0.121 0.000 1.196 346 H CB 2.258 32.110 29.762 0.149 0.000 1.636 346 H HN 0.617 nan 8.280 nan 0.000 0.531 347 F N 0.190 120.241 119.950 0.169 0.000 2.724 347 F HA -0.030 4.497 4.527 -0.000 0.000 0.306 347 F C 2.415 178.232 175.800 0.028 0.000 1.100 347 F CA 0.432 58.480 58.000 0.079 0.000 1.255 347 F CB 0.312 39.337 39.000 0.043 0.000 1.072 347 F HN 0.507 nan 8.300 nan 0.000 0.589 348 T N -2.260 112.407 114.554 0.189 0.000 2.918 348 T HA -0.238 4.112 4.350 -0.000 0.000 0.271 348 T C 1.766 176.442 174.700 -0.040 0.000 1.104 348 T CA 1.324 63.445 62.100 0.035 0.000 1.114 348 T CB -0.337 68.498 68.868 -0.056 0.000 0.855 348 T HN 0.167 nan 8.240 nan 0.000 0.518 349 K N 0.569 120.964 120.400 -0.009 0.000 2.444 349 K HA 0.151 4.471 4.320 -0.000 0.000 0.193 349 K C 0.538 177.191 176.600 0.088 0.000 1.024 349 K CA 0.188 56.461 56.287 -0.024 0.000 1.077 349 K CB 0.297 32.791 32.500 -0.010 0.000 0.833 349 K HN 0.308 nan 8.250 nan 0.000 0.517 350 T N 1.786 116.416 114.554 0.126 0.000 2.812 350 T HA 0.355 4.705 4.350 -0.000 0.000 0.282 350 T C -2.821 171.975 174.700 0.160 0.000 0.990 350 T CA -2.938 59.263 62.100 0.167 0.000 0.960 350 T CB 1.150 70.145 68.868 0.211 0.000 0.948 350 T HN -0.185 nan 8.240 nan 0.000 0.438 351 P HA 0.206 nan 4.420 nan 0.000 0.269 351 P C -0.162 177.146 177.300 0.015 0.000 1.211 351 P CA -0.183 62.994 63.100 0.128 0.000 0.781 351 P CB 0.475 32.303 31.700 0.212 0.000 0.877 352 K N 0.070 120.335 120.400 -0.226 0.000 2.410 352 K HA 0.227 4.547 4.320 -0.000 0.000 0.200 352 K C -0.646 175.479 176.600 -0.792 0.000 1.023 352 K CA 0.154 56.120 56.287 -0.535 0.000 1.149 352 K CB -0.248 31.839 32.500 -0.688 0.000 0.859 352 K HN 0.439 nan 8.250 nan 0.000 0.514 353 Y N -0.485 119.789 120.300 -0.043 0.000 2.524 353 Y HA 0.486 5.036 4.550 -0.000 0.000 0.347 353 Y C -0.394 175.457 175.900 -0.081 0.000 1.005 353 Y CA -2.005 56.026 58.100 -0.114 0.000 1.025 353 Y CB 1.402 39.767 38.460 -0.160 0.000 1.275 353 Y HN -0.057 nan 8.280 nan 0.000 0.460 354 F N -1.198 118.716 119.950 -0.061 0.000 2.643 354 F HA 0.870 5.397 4.527 0.000 0.000 0.314 354 F C -1.679 174.051 175.800 -0.117 0.000 1.096 354 F CA -1.742 56.166 58.000 -0.153 0.000 0.953 354 F CB 1.506 40.254 39.000 -0.420 0.000 1.345 354 F HN 0.113 nan 8.300 nan 0.000 0.468 355 K N 2.769 123.204 120.400 0.059 0.000 2.292 355 K HA 0.461 4.781 4.320 -0.000 0.000 0.270 355 K C -2.809 173.738 176.600 -0.088 0.000 1.062 355 K CA -2.038 54.097 56.287 -0.252 0.000 0.916 355 K CB 0.786 33.169 32.500 -0.195 0.000 1.166 355 K HN 0.266 nan 8.250 nan 0.000 0.458 356 P HA 0.015 nan 4.420 nan 0.000 0.265 356 P C 0.541 177.903 177.300 0.103 0.000 1.193 356 P CA 0.502 63.685 63.100 0.138 0.000 0.765 356 P CB 0.696 32.469 31.700 0.121 0.000 0.823 357 G N 1.754 110.628 108.800 0.123 0.000 2.198 357 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 357 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 357 G C -0.156 174.808 174.900 0.106 0.000 1.025 357 G CA 0.140 45.306 45.100 0.111 0.000 0.769 357 G HN 0.565 nan 8.290 nan 0.000 0.507 358 M N -0.467 119.186 119.600 0.088 0.000 2.378 358 M HA 0.494 4.974 4.480 -0.000 0.000 0.289 358 M C -2.721 173.612 176.300 0.055 0.000 1.136 358 M CA -2.091 53.253 55.300 0.073 0.000 0.917 358 M CB 2.293 34.923 32.600 0.050 0.000 1.669 358 M HN -0.119 nan 8.290 nan 0.000 0.461 359 P HA 0.027 nan 4.420 nan 0.000 0.265 359 P C -1.897 175.410 177.300 0.012 0.000 1.222 359 P CA 0.255 63.386 63.100 0.052 0.000 0.767 359 P CB -0.114 31.625 31.700 0.065 0.000 0.801 360 Y N 4.036 124.287 120.300 -0.083 0.000 2.341 360 Y HA 0.199 4.749 4.550 0.000 0.000 0.340 360 Y C 0.351 176.229 175.900 -0.037 0.000 0.997 360 Y CA -1.216 56.826 58.100 -0.098 0.000 1.149 360 Y CB 0.855 39.258 38.460 -0.096 0.000 1.171 360 Y HN 0.384 nan 8.280 nan 0.000 0.494 361 E N 7.081 127.002 120.200 -0.465 0.000 2.052 361 E HA 0.268 4.618 4.350 -0.000 0.000 0.283 361 E C -1.281 174.860 176.600 -0.765 0.000 1.071 361 E CA -0.720 55.410 56.400 -0.450 0.000 0.851 361 E CB 1.113 30.751 29.700 -0.104 0.000 1.066 361 E HN 0.659 nan 8.360 nan 0.000 0.396 362 L N 3.382 124.153 121.223 -0.753 0.000 2.349 362 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 362 L C -0.482 176.294 176.870 -0.156 0.000 1.115 362 L CA 0.401 54.971 54.840 -0.450 0.000 0.820 362 L CB 1.500 43.391 42.059 -0.280 0.000 1.135 362 L HN 0.504 nan 8.230 nan 0.000 0.445 363 T N 5.295 119.837 114.554 -0.020 0.000 3.060 363 T HA 0.398 4.748 4.350 -0.000 0.000 0.367 363 T C -0.586 174.156 174.700 0.069 0.000 1.229 363 T CA -0.434 61.687 62.100 0.034 0.000 1.104 363 T CB 0.445 69.359 68.868 0.077 0.000 1.083 363 T HN 0.522 nan 8.240 nan 0.000 0.524 364 V N 2.022 121.945 119.914 0.014 0.000 2.607 364 V HA 0.640 4.759 4.120 -0.000 0.000 0.289 364 V C -0.711 175.405 176.094 0.037 0.000 1.053 364 V CA -0.868 61.404 62.300 -0.045 0.000 0.996 364 V CB 0.673 32.417 31.823 -0.133 0.000 0.995 364 V HN 0.714 nan 8.190 nan 0.000 0.476 365 Y N 3.465 123.694 120.300 -0.119 0.000 2.326 365 Y HA 0.700 5.250 4.550 0.000 0.000 0.329 365 Y C -0.712 175.134 175.900 -0.089 0.000 0.973 365 Y CA -0.973 57.096 58.100 -0.051 0.000 1.162 365 Y CB 1.974 40.451 38.460 0.028 0.000 1.147 365 Y HN 0.569 nan 8.280 nan 0.000 0.456 366 V N 6.313 125.919 119.914 -0.514 0.000 2.284 366 V HA 0.252 4.372 4.120 -0.000 0.000 0.274 366 V C -0.113 175.718 176.094 -0.437 0.000 1.023 366 V CA -0.538 61.505 62.300 -0.428 0.000 0.808 366 V CB 1.029 32.658 31.823 -0.323 0.000 1.035 366 V HN 0.875 nan 8.190 nan 0.000 0.445 367 T N 1.321 115.657 114.554 -0.363 0.000 2.869 367 T HA 0.345 4.695 4.350 -0.000 0.000 0.295 367 T C 0.129 174.785 174.700 -0.073 0.000 0.987 367 T CA -0.497 61.490 62.100 -0.187 0.000 1.109 367 T CB 0.462 69.344 68.868 0.024 0.000 0.932 367 T HN 0.548 nan 8.240 nan 0.000 0.518 368 N N 3.912 122.594 118.700 -0.030 0.000 2.479 368 N HA 0.152 4.892 4.740 -0.000 0.000 0.257 368 N C -1.577 173.904 175.510 -0.047 0.000 1.232 368 N CA -1.549 51.481 53.050 -0.033 0.000 0.920 368 N CB 0.705 39.197 38.487 0.008 0.000 1.105 368 N HN 0.445 nan 8.380 nan 0.000 0.444 369 P HA -0.267 nan 4.420 nan 0.000 0.219 369 P C 0.388 177.527 177.300 -0.268 0.000 1.149 369 P CA 1.239 64.200 63.100 -0.231 0.000 0.835 369 P CB 0.082 31.631 31.700 -0.252 0.000 0.778 370 D N -1.913 118.492 120.400 0.008 0.000 2.077 370 D HA -0.068 4.572 4.640 -0.000 0.000 0.196 370 D C 1.811 178.172 176.300 0.101 0.000 0.986 370 D CA 2.219 56.313 54.000 0.157 0.000 0.829 370 D CB -1.048 39.883 40.800 0.219 0.000 0.983 370 D HN 0.303 nan 8.370 nan 0.000 0.453 371 G N -0.492 108.361 108.800 0.088 0.000 3.827 371 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.218 371 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.218 371 G C 0.277 175.243 174.900 0.111 0.000 0.892 371 G CA 0.384 45.550 45.100 0.110 0.000 0.857 371 G HN 0.667 nan 8.290 nan 0.000 0.508 372 S N 1.436 117.185 115.700 0.082 0.000 2.560 372 S HA 0.447 4.917 4.470 -0.000 0.000 0.276 372 S C -2.468 172.137 174.600 0.008 0.000 1.350 372 S CA -0.244 57.993 58.200 0.063 0.000 1.024 372 S CB 1.091 64.323 63.200 0.053 0.000 0.864 372 S HN 0.151 nan 8.310 nan 0.000 0.536 373 P HA 0.476 nan 4.420 nan 0.000 0.284 373 P C -1.299 175.943 177.300 -0.097 0.000 1.253 373 P CA -0.464 62.556 63.100 -0.133 0.000 0.800 373 P CB 0.967 32.634 31.700 -0.055 0.000 0.961 374 A N 2.455 125.198 122.820 -0.129 0.000 2.304 374 A HA 0.718 5.038 4.320 -0.000 0.000 0.314 374 A C -0.153 177.346 177.584 -0.142 0.000 1.187 374 A CA -0.634 51.370 52.037 -0.054 0.000 0.810 374 A CB 0.717 19.778 19.000 0.101 0.000 1.183 374 A HN 0.540 nan 8.150 nan 0.000 0.487 375 A N 1.534 124.240 122.820 -0.190 0.000 2.264 375 A HA 0.668 4.988 4.320 -0.000 0.000 0.304 375 A C 0.455 177.857 177.584 -0.303 0.000 1.100 375 A CA 0.014 51.812 52.037 -0.399 0.000 0.839 375 A CB -0.283 18.270 19.000 -0.745 0.000 1.121 375 A HN 1.535 nan 8.150 nan 0.000 0.496 376 H N -2.217 116.831 119.070 -0.038 0.000 3.047 376 H HA -0.154 4.402 4.556 0.000 0.000 0.263 376 H C -0.325 174.988 175.328 -0.026 0.000 1.168 376 H CA 0.220 56.257 56.048 -0.018 0.000 1.152 376 H CB -2.130 27.642 29.762 0.017 0.000 1.278 376 H HN 0.324 nan 8.280 nan 0.000 0.339 377 V N 1.508 121.377 119.914 -0.076 0.000 2.427 377 V HA 0.207 4.327 4.120 -0.000 0.000 0.268 377 V C -1.758 174.251 176.094 -0.143 0.000 1.046 377 V CA -1.405 60.757 62.300 -0.229 0.000 0.970 377 V CB 0.903 32.353 31.823 -0.621 0.000 1.001 377 V HN -0.011 nan 8.190 nan 0.000 0.476 378 P HA 0.386 nan 4.420 nan 0.000 0.278 378 P C -0.671 176.571 177.300 -0.096 0.000 1.238 378 P CA -0.146 62.921 63.100 -0.055 0.000 0.794 378 P CB 1.189 32.877 31.700 -0.020 0.000 0.955 379 V N 0.693 120.556 119.914 -0.085 0.000 3.001 379 V HA 0.916 5.036 4.120 -0.000 0.000 0.314 379 V C -0.163 175.898 176.094 -0.054 0.000 1.099 379 V CA -1.147 61.099 62.300 -0.091 0.000 0.989 379 V CB 1.933 33.688 31.823 -0.115 0.000 1.040 379 V HN 0.495 nan 8.190 nan 0.000 0.434 380 V N -1.401 118.485 119.914 -0.046 0.000 3.178 380 V HA 0.900 5.020 4.120 -0.000 0.000 0.302 380 V C -0.668 175.412 176.094 -0.023 0.000 1.262 380 V CA -0.298 61.988 62.300 -0.023 0.000 1.030 380 V CB 1.642 33.464 31.823 -0.002 0.000 1.074 380 V HN 1.301 nan 8.190 nan 0.000 0.438 381 S N 0.537 116.230 115.700 -0.012 0.000 2.659 381 S HA 0.520 4.990 4.470 -0.000 0.000 0.312 381 S C 0.365 174.986 174.600 0.035 0.000 1.114 381 S CA -0.327 57.879 58.200 0.010 0.000 1.063 381 S CB 1.707 64.889 63.200 -0.030 0.000 0.996 381 S HN 0.945 nan 8.310 nan 0.000 0.478 382 E N 3.268 123.447 120.200 -0.035 0.000 2.208 382 E HA 0.062 4.412 4.350 -0.000 0.000 0.193 382 E C 1.976 178.389 176.600 -0.312 0.000 0.988 382 E CA 1.124 57.381 56.400 -0.238 0.000 0.828 382 E CB -0.181 29.410 29.700 -0.182 0.000 0.763 382 E HN 0.682 nan 8.360 nan 0.000 0.478 383 A N -0.207 122.612 122.820 -0.002 0.000 2.186 383 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 383 A C 1.135 178.663 177.584 -0.093 0.000 1.159 383 A CA 1.055 53.117 52.037 0.042 0.000 0.680 383 A CB -0.468 18.712 19.000 0.300 0.000 0.787 383 A HN 0.350 nan 8.150 nan 0.000 0.467 384 F N -3.718 116.151 119.950 -0.134 0.000 2.899 384 F HA 0.214 4.741 4.527 -0.000 0.000 0.337 384 F C 0.277 176.096 175.800 0.032 0.000 1.129 384 F CA -0.676 57.304 58.000 -0.034 0.000 1.128 384 F CB -0.006 38.986 39.000 -0.014 0.000 1.154 384 F HN 0.236 nan 8.300 nan 0.000 0.531 385 H N 1.143 120.306 119.070 0.155 0.000 2.284 385 H HA -0.190 4.366 4.556 -0.000 0.000 0.322 385 H C 0.003 175.388 175.328 0.096 0.000 0.973 385 H CA 0.789 56.891 56.048 0.090 0.000 1.076 385 H CB -0.853 28.938 29.762 0.048 0.000 1.596 385 H HN 0.131 nan 8.280 nan 0.000 0.361 386 S N 1.403 117.200 115.700 0.162 0.000 2.557 386 S HA 0.702 5.172 4.470 -0.000 0.000 0.291 386 S C -0.254 174.373 174.600 0.044 0.000 1.116 386 S CA -0.936 57.325 58.200 0.102 0.000 0.992 386 S CB 0.703 63.959 63.200 0.094 0.000 1.028 386 S HN 0.460 nan 8.310 nan 0.000 0.484 387 M N 3.252 122.871 119.600 0.031 0.000 2.619 387 M HA 0.974 5.454 4.480 -0.000 0.000 0.297 387 M C -0.063 176.235 176.300 -0.004 0.000 1.229 387 M CA -0.845 54.459 55.300 0.007 0.000 0.860 387 M CB 1.691 34.300 32.600 0.015 0.000 1.741 387 M HN 0.667 nan 8.290 nan 0.000 0.462 388 G N 0.086 108.875 108.800 -0.018 0.000 2.706 388 G HA2 0.759 4.719 3.960 -0.000 0.000 0.307 388 G HA3 0.759 4.719 3.960 -0.000 0.000 0.307 388 G C -1.793 173.091 174.900 -0.025 0.000 1.307 388 G CA -0.655 44.434 45.100 -0.020 0.000 0.790 388 G HN 0.768 nan 8.290 nan 0.000 0.503 389 T N 1.190 115.732 114.554 -0.021 0.000 3.548 389 T HA 0.492 4.842 4.350 -0.000 0.000 0.329 389 T C 0.110 174.799 174.700 -0.018 0.000 0.960 389 T CA -0.269 61.823 62.100 -0.013 0.000 1.041 389 T CB 0.827 69.710 68.868 0.025 0.000 1.065 389 T HN 0.967 nan 8.240 nan 0.000 0.459 390 T N 2.563 117.077 114.554 -0.067 0.000 2.785 390 T HA 0.434 4.784 4.350 -0.000 0.000 0.341 390 T C 0.555 175.203 174.700 -0.085 0.000 1.093 390 T CA -0.381 61.664 62.100 -0.092 0.000 1.103 390 T CB 0.698 69.468 68.868 -0.163 0.000 1.011 390 T HN 0.412 nan 8.240 nan 0.000 0.549 391 L N -0.203 120.963 121.223 -0.096 0.000 2.305 391 L HA 0.346 4.686 4.340 -0.000 0.000 0.261 391 L C 1.864 178.622 176.870 -0.186 0.000 1.100 391 L CA -0.980 53.792 54.840 -0.113 0.000 1.073 391 L CB 0.999 43.050 42.059 -0.013 0.000 1.656 391 L HN 0.751 nan 8.230 nan 0.000 0.536 392 S N 0.093 115.725 115.700 -0.114 0.000 2.520 392 S HA -0.140 4.330 4.470 -0.000 0.000 0.249 392 S C 0.520 175.084 174.600 -0.060 0.000 0.983 392 S CA 1.356 59.499 58.200 -0.095 0.000 0.958 392 S CB -0.488 62.703 63.200 -0.015 0.000 0.750 392 S HN 0.724 nan 8.310 nan 0.000 0.527 393 D N -1.490 118.889 120.400 -0.035 0.000 2.520 393 D HA 0.233 4.873 4.640 -0.000 0.000 0.223 393 D C 1.033 177.372 176.300 0.064 0.000 1.186 393 D CA 0.631 54.650 54.000 0.031 0.000 0.821 393 D CB -0.110 40.727 40.800 0.062 0.000 1.072 393 D HN 0.337 nan 8.370 nan 0.000 0.518 394 G N 0.792 109.564 108.800 -0.046 0.000 2.159 394 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.227 394 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.227 394 G C 0.319 175.187 174.900 -0.053 0.000 0.986 394 G CA 0.318 45.318 45.100 -0.167 0.000 0.651 394 G HN 0.795 nan 8.290 nan 0.000 0.523 395 T N -1.884 112.703 114.554 0.054 0.000 2.888 395 T HA 0.902 5.252 4.350 -0.000 0.000 0.284 395 T C -0.237 174.473 174.700 0.016 0.000 1.017 395 T CA 0.276 62.431 62.100 0.093 0.000 1.022 395 T CB 2.488 71.439 68.868 0.139 0.000 1.013 395 T HN 1.832 nan 8.240 nan 0.000 0.465 396 A N 2.267 125.091 122.820 0.006 0.000 2.381 396 A HA 0.665 4.985 4.320 -0.000 0.000 0.299 396 A C -0.398 177.178 177.584 -0.014 0.000 1.049 396 A CA -0.986 51.042 52.037 -0.014 0.000 0.715 396 A CB 1.263 20.238 19.000 -0.041 0.000 1.222 396 A HN 0.822 nan 8.150 nan 0.000 0.428 397 K N 2.785 123.176 120.400 -0.015 0.000 2.244 397 K HA 0.353 4.673 4.320 -0.000 0.000 0.263 397 K C -0.912 175.658 176.600 -0.050 0.000 1.103 397 K CA -0.093 56.175 56.287 -0.032 0.000 0.966 397 K CB 0.502 32.992 32.500 -0.018 0.000 1.429 397 K HN 0.666 nan 8.250 nan 0.000 0.434 398 L N 5.242 126.420 121.223 -0.074 0.000 2.313 398 L HA 0.230 4.570 4.340 -0.000 0.000 0.282 398 L C -0.019 176.778 176.870 -0.122 0.000 1.092 398 L CA -0.394 54.397 54.840 -0.082 0.000 0.831 398 L CB 0.494 42.498 42.059 -0.092 0.000 1.159 398 L HN 0.425 nan 8.230 nan 0.000 0.442 399 I N 4.735 125.258 120.570 -0.078 0.000 2.532 399 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 399 I C -0.046 176.046 176.117 -0.042 0.000 1.014 399 I CA -0.448 60.806 61.300 -0.077 0.000 1.340 399 I CB 1.665 39.653 38.000 -0.019 0.000 1.422 399 I HN 0.352 nan 8.210 nan 0.000 0.528 400 L N 5.913 127.119 121.223 -0.028 0.000 2.385 400 L HA 0.410 4.750 4.340 -0.000 0.000 0.273 400 L C -0.126 176.828 176.870 0.141 0.000 0.990 400 L CA -0.565 54.336 54.840 0.101 0.000 0.821 400 L CB 1.424 43.539 42.059 0.094 0.000 1.279 400 L HN 0.423 nan 8.230 nan 0.000 0.412 401 N N 4.104 122.901 118.700 0.162 0.000 2.434 401 N HA 0.436 5.176 4.740 -0.000 0.000 0.272 401 N C -0.905 174.659 175.510 0.090 0.000 1.040 401 N CA -0.338 52.775 53.050 0.105 0.000 0.956 401 N CB 1.728 40.262 38.487 0.079 0.000 1.108 401 N HN 0.286 nan 8.380 nan 0.000 0.481 402 I N 3.938 124.545 120.570 0.062 0.000 2.411 402 I HA 0.350 4.519 4.170 -0.000 0.000 0.284 402 I C -2.095 174.039 176.117 0.027 0.000 1.012 402 I CA -2.571 58.740 61.300 0.019 0.000 1.119 402 I CB 1.018 38.995 38.000 -0.038 0.000 1.261 402 I HN 0.105 nan 8.210 nan 0.000 0.448 403 P HA 0.028 nan 4.420 nan 0.000 0.267 403 P C 1.032 178.365 177.300 0.055 0.000 1.195 403 P CA -0.039 63.075 63.100 0.022 0.000 0.773 403 P CB 1.135 32.832 31.700 -0.005 0.000 0.837 404 L N 3.055 124.317 121.223 0.065 0.000 2.023 404 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 404 L C 1.623 178.555 176.870 0.104 0.000 1.073 404 L CA 1.702 56.598 54.840 0.094 0.000 0.745 404 L CB -0.804 41.305 42.059 0.084 0.000 0.900 404 L HN 0.377 nan 8.230 nan 0.000 0.435 405 N N 0.616 119.361 118.700 0.076 0.000 2.666 405 N HA -0.017 4.723 4.740 -0.000 0.000 0.194 405 N C 0.453 176.015 175.510 0.087 0.000 1.220 405 N CA 0.724 53.817 53.050 0.073 0.000 0.928 405 N CB -1.030 37.486 38.487 0.048 0.000 0.997 405 N HN 0.346 nan 8.380 nan 0.000 0.447 406 A N -0.526 122.363 122.820 0.114 0.000 2.346 406 A HA 0.344 4.664 4.320 -0.000 0.000 0.252 406 A C 0.882 178.599 177.584 0.223 0.000 1.089 406 A CA -0.083 52.044 52.037 0.150 0.000 0.797 406 A CB 0.649 19.732 19.000 0.138 0.000 1.047 406 A HN 0.231 nan 8.150 nan 0.000 0.494 407 Q N -0.464 119.489 119.800 0.255 0.000 2.452 407 Q HA 0.164 4.504 4.340 -0.000 0.000 0.190 407 Q C 0.613 176.795 176.000 0.304 0.000 0.710 407 Q CA 0.366 56.303 55.803 0.224 0.000 0.917 407 Q CB -0.092 28.712 28.738 0.108 0.000 1.282 407 Q HN 0.706 nan 8.270 nan 0.000 0.447 408 S N 1.115 116.943 115.700 0.212 0.000 2.608 408 S HA 0.405 4.875 4.470 -0.000 0.000 0.261 408 S C -0.212 174.487 174.600 0.166 0.000 1.314 408 S CA -0.102 58.201 58.200 0.172 0.000 0.992 408 S CB 0.503 63.750 63.200 0.078 0.000 0.935 408 S HN 0.231 nan 8.310 nan 0.000 0.564 409 L N 2.975 124.237 121.223 0.066 0.000 2.422 409 L HA 0.419 4.759 4.340 -0.000 0.000 0.263 409 L C -2.981 173.860 176.870 -0.049 0.000 1.372 409 L CA -1.591 53.190 54.840 -0.098 0.000 0.857 409 L CB 0.868 42.646 42.059 -0.467 0.000 1.024 409 L HN 0.275 nan 8.230 nan 0.000 0.507 410 P HA 0.382 nan 4.420 nan 0.000 0.276 410 P C -0.721 176.629 177.300 0.084 0.000 1.253 410 P CA 0.236 63.344 63.100 0.013 0.000 0.766 410 P CB 0.525 32.239 31.700 0.023 0.000 0.845 411 I N -0.229 120.334 120.570 -0.011 0.000 2.608 411 I HA 0.630 4.800 4.170 -0.000 0.000 0.295 411 I C -0.703 175.428 176.117 0.023 0.000 1.049 411 I CA -0.661 60.629 61.300 -0.017 0.000 1.063 411 I CB 2.498 40.398 38.000 -0.166 0.000 1.248 411 I HN 0.033 nan 8.210 nan 0.000 0.424 412 T N 4.511 119.108 114.554 0.073 0.000 2.890 412 T HA 0.471 4.821 4.350 -0.000 0.000 0.295 412 T C -0.446 174.309 174.700 0.091 0.000 0.993 412 T CA -0.344 61.818 62.100 0.103 0.000 0.979 412 T CB 1.723 70.632 68.868 0.069 0.000 0.967 412 T HN 0.413 nan 8.240 nan 0.000 0.441 413 V N 4.928 124.918 119.914 0.127 0.000 2.394 413 V HA 0.564 4.684 4.120 -0.000 0.000 0.282 413 V C 0.325 176.402 176.094 -0.029 0.000 1.031 413 V CA -0.880 61.432 62.300 0.020 0.000 0.881 413 V CB 1.444 33.240 31.823 -0.046 0.000 0.982 413 V HN 0.680 nan 8.190 nan 0.000 0.451 414 R N 1.812 122.288 120.500 -0.040 0.000 2.664 414 R HA 0.537 4.877 4.340 -0.000 0.000 0.286 414 R C 0.073 176.330 176.300 -0.072 0.000 0.967 414 R CA -0.586 55.485 56.100 -0.048 0.000 0.933 414 R CB 1.894 32.179 30.300 -0.026 0.000 1.146 414 R HN 0.820 nan 8.270 nan 0.000 0.468 415 T N -0.415 114.091 114.554 -0.079 0.000 3.766 415 T HA 0.090 4.440 4.350 -0.000 0.000 0.327 415 T C 0.296 174.956 174.700 -0.065 0.000 1.595 415 T CA -0.730 61.301 62.100 -0.115 0.000 1.204 415 T CB -0.446 68.343 68.868 -0.131 0.000 1.245 415 T HN 0.261 nan 8.240 nan 0.000 0.875 416 N N 2.744 121.419 118.700 -0.043 0.000 2.429 416 N HA -0.008 4.732 4.740 -0.000 0.000 0.271 416 N C -0.960 174.575 175.510 0.041 0.000 1.272 416 N CA 0.227 53.277 53.050 -0.000 0.000 0.921 416 N CB -0.079 38.403 38.487 -0.008 0.000 1.128 416 N HN 0.764 nan 8.380 nan 0.000 0.481 417 H N 1.266 120.314 119.070 -0.037 0.000 2.906 417 H HA 0.377 4.933 4.556 -0.000 0.000 0.324 417 H C 1.134 176.475 175.328 0.021 0.000 0.973 417 H CA -0.495 55.544 56.048 -0.015 0.000 1.321 417 H CB 0.968 30.743 29.762 0.021 0.000 1.535 417 H HN 0.590 nan 8.280 nan 0.000 0.518 418 G N 2.920 111.559 108.800 -0.268 0.000 2.601 418 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.214 418 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.214 418 G C 0.306 175.128 174.900 -0.131 0.000 1.132 418 G CA 0.969 45.966 45.100 -0.172 0.000 0.761 418 G HN 0.642 nan 8.290 nan 0.000 0.550 419 D N -0.706 119.619 120.400 -0.126 0.000 2.531 419 D HA 0.118 4.758 4.640 -0.000 0.000 0.263 419 D C 1.146 177.564 176.300 0.196 0.000 1.057 419 D CA -0.148 53.892 54.000 0.066 0.000 0.909 419 D CB 0.222 41.100 40.800 0.129 0.000 1.236 419 D HN 0.198 nan 8.370 nan 0.000 0.494 420 L N 3.718 125.134 121.223 0.322 0.000 2.367 420 L HA 0.254 4.594 4.340 -0.000 0.000 0.275 420 L C -2.062 174.881 176.870 0.121 0.000 1.129 420 L CA -1.582 53.401 54.840 0.239 0.000 0.839 420 L CB 0.450 42.668 42.059 0.266 0.000 1.133 420 L HN -0.186 nan 8.230 nan 0.000 0.453 421 P HA 0.058 nan 4.420 nan 0.000 0.271 421 P C 0.224 177.525 177.300 0.002 0.000 1.216 421 P CA -0.518 62.593 63.100 0.019 0.000 0.776 421 P CB 0.512 32.205 31.700 -0.012 0.000 0.881 422 R N 4.663 125.163 120.500 -0.000 0.000 2.168 422 R HA -0.240 4.100 4.340 -0.000 0.000 0.242 422 R C 1.489 177.770 176.300 -0.032 0.000 1.123 422 R CA 2.017 58.112 56.100 -0.008 0.000 0.928 422 R CB -2.097 28.197 30.300 -0.010 0.000 0.873 422 R HN 0.554 nan 8.270 nan 0.000 0.434 423 E N 1.055 121.226 120.200 -0.049 0.000 2.219 423 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 423 E C 1.954 178.489 176.600 -0.108 0.000 0.998 423 E CA 0.952 57.309 56.400 -0.071 0.000 0.818 423 E CB -0.339 29.315 29.700 -0.077 0.000 0.741 423 E HN 0.315 nan 8.360 nan 0.000 0.477 424 R N 1.399 121.820 120.500 -0.131 0.000 2.070 424 R HA -0.043 4.297 4.340 -0.000 0.000 0.227 424 R C 1.452 177.683 176.300 -0.116 0.000 1.147 424 R CA 1.078 57.062 56.100 -0.194 0.000 0.924 424 R CB -0.799 29.362 30.300 -0.232 0.000 0.827 424 R HN 0.549 nan 8.270 nan 0.000 0.431 425 Q N 1.085 120.859 119.800 -0.043 0.000 2.333 425 Q HA 0.283 4.623 4.340 -0.000 0.000 0.299 425 Q C -0.579 175.401 176.000 -0.033 0.000 1.067 425 Q CA 0.029 55.834 55.803 0.004 0.000 0.943 425 Q CB 0.495 29.268 28.738 0.057 0.000 1.233 425 Q HN 0.185 nan 8.270 nan 0.000 0.401 426 A N 2.320 125.119 122.820 -0.036 0.000 2.257 426 A HA 0.593 4.913 4.320 -0.000 0.000 0.289 426 A C -0.105 177.438 177.584 -0.068 0.000 1.095 426 A CA -0.017 51.981 52.037 -0.066 0.000 0.836 426 A CB 1.686 20.633 19.000 -0.090 0.000 1.111 426 A HN 0.800 nan 8.150 nan 0.000 0.497 427 T N -0.397 114.118 114.554 -0.064 0.000 2.916 427 T HA 0.618 4.968 4.350 -0.000 0.000 0.305 427 T C -1.112 173.571 174.700 -0.027 0.000 1.119 427 T CA -0.660 61.414 62.100 -0.043 0.000 1.008 427 T CB 0.929 69.785 68.868 -0.020 0.000 1.129 427 T HN 0.865 nan 8.240 nan 0.000 0.480 428 K N 2.064 122.471 120.400 0.012 0.000 2.578 428 K HA 0.639 4.959 4.320 -0.000 0.000 0.269 428 K C -1.599 175.177 176.600 0.293 0.000 0.941 428 K CA -0.592 55.760 56.287 0.108 0.000 0.847 428 K CB 2.020 34.555 32.500 0.057 0.000 1.397 428 K HN 0.605 nan 8.250 nan 0.000 0.422 429 S N 2.415 118.284 115.700 0.282 0.000 2.600 429 S HA 0.772 5.242 4.470 -0.000 0.000 0.300 429 S C -1.072 173.504 174.600 -0.041 0.000 1.087 429 S CA -0.896 57.408 58.200 0.173 0.000 0.965 429 S CB 1.400 64.638 63.200 0.064 0.000 1.089 429 S HN 0.652 nan 8.310 nan 0.000 0.496 430 M N 0.274 119.669 119.600 -0.342 0.000 2.644 430 M HA 0.715 5.195 4.480 -0.000 0.000 0.273 430 M C -1.678 174.430 176.300 -0.319 0.000 1.253 430 M CA -0.674 54.333 55.300 -0.488 0.000 0.852 430 M CB 2.139 34.084 32.600 -1.093 0.000 1.708 430 M HN 0.521 nan 8.290 nan 0.000 0.471 431 T N 0.189 114.601 114.554 -0.237 0.000 2.890 431 T HA 0.867 5.217 4.350 -0.000 0.000 0.295 431 T C -0.570 174.042 174.700 -0.148 0.000 0.993 431 T CA -0.483 61.528 62.100 -0.149 0.000 0.979 431 T CB 1.282 70.104 68.868 -0.076 0.000 0.967 431 T HN 1.006 nan 8.240 nan 0.000 0.441 432 A N 4.461 127.200 122.820 -0.134 0.000 2.303 432 A HA 0.773 5.093 4.320 -0.000 0.000 0.317 432 A C 0.159 177.804 177.584 0.101 0.000 1.149 432 A CA -0.969 50.999 52.037 -0.115 0.000 0.822 432 A CB 0.405 19.288 19.000 -0.196 0.000 1.131 432 A HN 0.824 nan 8.150 nan 0.000 0.493 433 I N 1.171 121.756 120.570 0.024 0.000 2.713 433 I HA 0.388 4.558 4.170 -0.000 0.000 0.300 433 I C 1.114 177.072 176.117 -0.266 0.000 1.009 433 I CA -0.078 61.266 61.300 0.073 0.000 1.305 433 I CB 1.298 39.402 38.000 0.173 0.000 1.430 433 I HN 0.759 nan 8.210 nan 0.000 0.546 434 A N 4.782 127.256 122.820 -0.577 0.000 2.351 434 A HA 0.188 4.508 4.320 -0.000 0.000 0.257 434 A C -0.230 177.156 177.584 -0.330 0.000 1.087 434 A CA -0.162 51.246 52.037 -1.049 0.000 0.798 434 A CB 0.049 18.579 19.000 -0.783 0.000 1.033 434 A HN 0.541 nan 8.150 nan 0.000 0.488 435 Y N 0.489 120.519 120.300 -0.449 0.000 2.554 435 Y HA 0.048 4.598 4.550 -0.000 0.000 0.353 435 Y C 0.428 176.279 175.900 -0.081 0.000 1.269 435 Y CA 0.384 58.363 58.100 -0.202 0.000 1.494 435 Y CB 0.454 38.831 38.460 -0.139 0.000 1.365 435 Y HN 0.595 nan 8.280 nan 0.000 0.664 436 Q N 2.868 122.976 119.800 0.513 0.000 2.907 436 Q HA 0.181 4.521 4.340 -0.000 0.000 0.262 436 Q C -0.540 175.423 176.000 -0.062 0.000 0.997 436 Q CA -0.369 55.511 55.803 0.127 0.000 0.797 436 Q CB 0.186 28.970 28.738 0.077 0.000 1.228 436 Q HN 0.787 nan 8.270 nan 0.000 0.466 437 T N -0.853 113.524 114.554 -0.294 0.000 2.872 437 T HA -0.125 4.225 4.350 -0.000 0.000 0.292 437 T C 0.592 175.167 174.700 -0.209 0.000 1.036 437 T CA 0.107 61.954 62.100 -0.422 0.000 1.136 437 T CB 0.785 69.347 68.868 -0.509 0.000 1.052 437 T HN 0.436 nan 8.240 nan 0.000 0.512 438 Q N 1.864 121.569 119.800 -0.159 0.000 2.283 438 Q HA 0.181 4.521 4.340 -0.000 0.000 0.301 438 Q C 1.379 177.312 176.000 -0.113 0.000 1.063 438 Q CA 0.743 56.484 55.803 -0.102 0.000 0.952 438 Q CB -0.418 28.266 28.738 -0.089 0.000 1.166 438 Q HN 1.233 nan 8.270 nan 0.000 0.381 439 G N 3.410 112.157 108.800 -0.088 0.000 2.422 439 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.301 439 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.301 439 G C 0.809 175.650 174.900 -0.098 0.000 0.981 439 G CA 0.704 45.754 45.100 -0.083 0.000 0.994 439 G HN 1.728 nan 8.290 nan 0.000 0.514 440 G N -1.029 107.706 108.800 -0.108 0.000 2.244 440 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.274 440 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.274 440 G C 1.877 176.683 174.900 -0.157 0.000 1.002 440 G CA 1.883 46.911 45.100 -0.119 0.000 0.740 440 G HN 2.289 nan 8.290 nan 0.000 0.516 441 S N -0.863 114.729 115.700 -0.179 0.000 2.380 441 S HA 0.100 4.570 4.470 -0.000 0.000 0.229 441 S C 2.604 177.062 174.600 -0.237 0.000 1.043 441 S CA 1.899 59.986 58.200 -0.189 0.000 1.038 441 S CB -0.607 62.478 63.200 -0.192 0.000 0.872 441 S HN 2.481 nan 8.310 nan 0.000 0.456 442 G N 1.057 109.636 108.800 -0.370 0.000 2.131 442 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.223 442 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.223 442 G C -0.349 174.194 174.900 -0.596 0.000 0.990 442 G CA -0.026 44.764 45.100 -0.517 0.000 0.671 442 G HN 0.565 nan 8.290 nan 0.000 0.521 443 N N 0.778 119.183 118.700 -0.493 0.000 2.678 443 N HA 0.473 5.213 4.740 -0.000 0.000 0.231 443 N C -0.785 174.653 175.510 -0.120 0.000 1.038 443 N CA -0.092 52.812 53.050 -0.244 0.000 0.932 443 N CB 0.477 38.875 38.487 -0.148 0.000 1.176 443 N HN 0.236 nan 8.380 nan 0.000 0.511 444 Y N 0.781 121.133 120.300 0.086 0.000 2.352 444 Y HA 0.456 5.006 4.550 -0.000 0.000 0.326 444 Y C 0.259 176.284 175.900 0.208 0.000 1.166 444 Y CA -1.125 57.020 58.100 0.076 0.000 1.182 444 Y CB 1.228 39.736 38.460 0.081 0.000 1.216 444 Y HN 0.283 nan 8.280 nan 0.000 0.474 445 L N 3.928 125.382 121.223 0.385 0.000 2.349 445 L HA 0.509 4.849 4.340 -0.000 0.000 0.278 445 L C -1.494 175.558 176.870 0.303 0.000 0.996 445 L CA -0.470 54.497 54.840 0.213 0.000 0.825 445 L CB 0.954 42.940 42.059 -0.121 0.000 1.243 445 L HN 0.694 nan 8.230 nan 0.000 0.412 446 H N 3.370 122.534 119.070 0.156 0.000 2.524 446 H HA 0.708 5.264 4.556 -0.000 0.000 0.353 446 H C -1.512 173.872 175.328 0.095 0.000 1.136 446 H CA -0.621 55.504 56.048 0.129 0.000 1.193 446 H CB 2.055 31.904 29.762 0.143 0.000 1.558 446 H HN 0.468 nan 8.280 nan 0.000 0.515 447 V N 4.676 124.321 119.914 -0.450 0.000 2.380 447 V HA 0.753 4.873 4.120 -0.000 0.000 0.286 447 V C -0.863 174.893 176.094 -0.563 0.000 1.015 447 V CA -0.129 61.941 62.300 -0.383 0.000 0.834 447 V CB 0.518 32.220 31.823 -0.203 0.000 1.009 447 V HN 1.037 nan 8.190 nan 0.000 0.428 448 A N 6.802 129.328 122.820 -0.491 0.000 2.301 448 A HA 0.792 5.112 4.320 -0.000 0.000 0.312 448 A C -0.655 176.842 177.584 -0.146 0.000 1.182 448 A CA -0.500 51.358 52.037 -0.298 0.000 0.826 448 A CB 1.028 19.954 19.000 -0.123 0.000 1.134 448 A HN 0.895 nan 8.150 nan 0.000 0.501 449 I N 3.202 123.727 120.570 -0.076 0.000 2.312 449 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 449 I C 1.512 177.605 176.117 -0.040 0.000 1.008 449 I CA 0.165 61.429 61.300 -0.059 0.000 1.226 449 I CB 1.190 39.164 38.000 -0.044 0.000 1.371 449 I HN 0.826 nan 8.210 nan 0.000 0.468 450 T N 2.618 117.143 114.554 -0.047 0.000 2.698 450 T HA 0.023 4.373 4.350 -0.000 0.000 0.260 450 T C 1.294 175.978 174.700 -0.026 0.000 1.044 450 T CA 0.640 62.722 62.100 -0.030 0.000 1.149 450 T CB -0.494 68.355 68.868 -0.032 0.000 0.864 450 T HN 0.507 nan 8.240 nan 0.000 0.419 451 S N 1.689 117.367 115.700 -0.036 0.000 2.695 451 S HA 0.415 4.885 4.470 -0.000 0.000 0.250 451 S C 0.420 175.001 174.600 -0.031 0.000 1.355 451 S CA 0.142 58.321 58.200 -0.036 0.000 0.965 451 S CB -0.011 63.158 63.200 -0.051 0.000 0.987 451 S HN 0.935 nan 8.310 nan 0.000 0.576 452 T N -1.231 113.302 114.554 -0.036 0.000 3.012 452 T HA 0.504 4.854 4.350 -0.000 0.000 0.330 452 T C -1.780 172.895 174.700 -0.042 0.000 1.321 452 T CA -1.046 61.035 62.100 -0.031 0.000 1.067 452 T CB 0.947 69.806 68.868 -0.015 0.000 1.235 452 T HN 0.618 nan 8.240 nan 0.000 0.479 453 E N 1.281 121.452 120.200 -0.048 0.000 4.247 453 E HA -0.154 4.196 4.350 -0.000 0.000 0.264 453 E C -0.779 175.767 176.600 -0.090 0.000 1.893 453 E CA 0.317 56.680 56.400 -0.063 0.000 1.098 453 E CB -0.790 28.887 29.700 -0.039 0.000 0.901 453 E HN 0.683 nan 8.360 nan 0.000 0.336 454 I N 3.208 123.698 120.570 -0.134 0.000 2.382 454 I HA 0.203 4.373 4.170 -0.000 0.000 0.285 454 I C 0.411 176.408 176.117 -0.200 0.000 1.007 454 I CA -0.850 60.349 61.300 -0.169 0.000 1.142 454 I CB 1.144 39.019 38.000 -0.208 0.000 1.289 454 I HN 0.189 nan 8.210 nan 0.000 0.453 455 K N 6.919 127.217 120.400 -0.169 0.000 2.276 455 K HA 0.372 4.692 4.320 -0.000 0.000 0.283 455 K C -2.514 173.958 176.600 -0.212 0.000 1.044 455 K CA -1.702 54.485 56.287 -0.166 0.000 0.944 455 K CB 0.294 32.722 32.500 -0.120 0.000 1.012 455 K HN 0.193 nan 8.250 nan 0.000 0.472 456 P HA -0.111 nan 4.420 nan 0.000 0.265 456 P C 0.601 177.768 177.300 -0.222 0.000 1.187 456 P CA 0.876 63.832 63.100 -0.239 0.000 0.766 456 P CB 0.406 31.995 31.700 -0.186 0.000 0.820 457 G N 0.884 109.504 108.800 -0.300 0.000 2.160 457 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.251 457 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.251 457 G C -0.072 174.625 174.900 -0.337 0.000 1.008 457 G CA -0.107 44.797 45.100 -0.328 0.000 0.724 457 G HN 0.518 nan 8.290 nan 0.000 0.514 458 D N -0.256 119.932 120.400 -0.353 0.000 2.294 458 D HA 0.522 5.162 4.640 -0.000 0.000 0.250 458 D C 0.125 176.268 176.300 -0.263 0.000 1.058 458 D CA -0.481 53.370 54.000 -0.248 0.000 0.950 458 D CB 0.526 41.203 40.800 -0.205 0.000 1.158 458 D HN 0.046 nan 8.370 nan 0.000 0.453 459 N N 1.120 119.744 118.700 -0.127 0.000 2.501 459 N HA 0.317 5.057 4.740 -0.000 0.000 0.245 459 N C -1.124 174.342 175.510 -0.075 0.000 0.974 459 N CA -0.473 52.539 53.050 -0.063 0.000 0.941 459 N CB 0.553 39.044 38.487 0.006 0.000 1.122 459 N HN 0.328 nan 8.380 nan 0.000 0.507 460 L N 1.882 123.050 121.223 -0.091 0.000 2.325 460 L HA 0.843 5.183 4.340 -0.000 0.000 0.281 460 L C -2.668 174.149 176.870 -0.088 0.000 1.004 460 L CA -1.885 52.903 54.840 -0.087 0.000 0.823 460 L CB 2.369 44.369 42.059 -0.097 0.000 1.236 460 L HN 0.225 nan 8.230 nan 0.000 0.415 461 P HA 0.205 nan 4.420 nan 0.000 0.282 461 P C -1.114 176.116 177.300 -0.116 0.000 1.249 461 P CA -0.343 62.708 63.100 -0.082 0.000 0.806 461 P CB 2.447 34.114 31.700 -0.055 0.000 0.984 462 V N 3.209 123.025 119.914 -0.163 0.000 2.588 462 V HA 0.356 4.476 4.120 -0.000 0.000 0.304 462 V C -0.711 175.184 176.094 -0.332 0.000 1.042 462 V CA -0.839 61.330 62.300 -0.219 0.000 0.877 462 V CB 1.410 33.109 31.823 -0.207 0.000 0.996 462 V HN 0.408 nan 8.190 nan 0.000 0.425 463 N N 5.697 124.230 118.700 -0.278 0.000 2.422 463 N HA 0.403 5.143 4.740 -0.000 0.000 0.264 463 N C -1.038 174.275 175.510 -0.329 0.000 1.063 463 N CA -0.028 52.880 53.050 -0.236 0.000 0.959 463 N CB 0.755 39.182 38.487 -0.100 0.000 1.087 463 N HN 0.458 nan 8.380 nan 0.000 0.483 464 F N 1.365 121.217 119.950 -0.164 0.000 2.371 464 F HA 0.320 4.847 4.527 0.000 0.000 0.363 464 F C 0.635 176.378 175.800 -0.095 0.000 1.122 464 F CA -0.885 56.914 58.000 -0.336 0.000 1.129 464 F CB 0.188 38.735 39.000 -0.754 0.000 1.173 464 F HN 0.242 nan 8.300 nan 0.000 0.489 465 N N 2.343 121.149 118.700 0.177 0.000 2.392 465 N HA 0.609 5.348 4.740 -0.000 0.000 0.283 465 N C -1.020 174.671 175.510 0.300 0.000 1.003 465 N CA -0.646 52.547 53.050 0.238 0.000 0.892 465 N CB 2.004 40.640 38.487 0.247 0.000 1.193 465 N HN 0.315 nan 8.380 nan 0.000 0.487 466 V N -0.220 119.900 119.914 0.343 0.000 2.975 466 V HA 0.672 4.792 4.120 -0.000 0.000 0.318 466 V C -0.206 176.071 176.094 0.306 0.000 1.077 466 V CA -0.700 61.828 62.300 0.381 0.000 1.000 466 V CB 1.838 33.927 31.823 0.445 0.000 1.066 466 V HN 0.599 nan 8.190 nan 0.000 0.452 467 K N 0.006 120.593 120.400 0.312 0.000 2.546 467 K HA 0.675 4.995 4.320 -0.000 0.000 0.264 467 K C -0.257 176.437 176.600 0.156 0.000 0.937 467 K CA 0.300 56.730 56.287 0.238 0.000 0.833 467 K CB 1.987 34.656 32.500 0.281 0.000 1.378 467 K HN 1.740 nan 8.250 nan 0.000 0.432 468 G N 2.053 110.903 108.800 0.084 0.000 2.255 468 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 468 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 468 G C -1.143 173.739 174.900 -0.030 0.000 1.307 468 G CA -0.454 44.644 45.100 -0.004 0.000 1.162 468 G HN 0.871 nan 8.290 nan 0.000 0.494 469 N N 1.212 119.866 118.700 -0.077 0.000 1.923 469 N HA 0.148 4.888 4.740 -0.000 0.000 0.305 469 N C 1.682 177.154 175.510 -0.064 0.000 1.339 469 N CA 1.154 54.157 53.050 -0.079 0.000 0.825 469 N CB 0.493 38.913 38.487 -0.111 0.000 1.095 469 N HN 1.342 nan 8.380 nan 0.000 0.498 470 A N 4.930 127.723 122.820 -0.046 0.000 1.849 470 A HA -0.304 4.016 4.320 -0.000 0.000 0.216 470 A C 1.758 179.308 177.584 -0.056 0.000 1.225 470 A CA 1.948 53.962 52.037 -0.038 0.000 0.653 470 A CB -0.757 18.226 19.000 -0.029 0.000 0.844 470 A HN 0.983 nan 8.150 nan 0.000 0.453 471 N N -0.061 118.602 118.700 -0.061 0.000 2.626 471 N HA -0.040 4.700 4.740 -0.000 0.000 0.193 471 N C 1.295 176.747 175.510 -0.097 0.000 1.213 471 N CA 1.170 54.177 53.050 -0.071 0.000 0.914 471 N CB -0.112 38.338 38.487 -0.063 0.000 0.994 471 N HN 0.409 nan 8.380 nan 0.000 0.447 472 S N 0.884 116.518 115.700 -0.110 0.000 2.339 472 S HA 0.213 4.683 4.470 -0.000 0.000 0.213 472 S C 1.884 176.376 174.600 -0.180 0.000 1.033 472 S CA -0.097 58.011 58.200 -0.154 0.000 0.950 472 S CB -0.122 62.979 63.200 -0.165 0.000 0.893 472 S HN 0.256 nan 8.310 nan 0.000 0.492 473 L N 2.170 123.307 121.223 -0.144 0.000 2.191 473 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 473 L C 2.435 179.237 176.870 -0.115 0.000 1.103 473 L CA 1.270 56.031 54.840 -0.132 0.000 0.769 473 L CB -0.655 41.377 42.059 -0.045 0.000 0.908 473 L HN 0.366 nan 8.230 nan 0.000 0.438 474 K N 1.886 122.229 120.400 -0.095 0.000 2.173 474 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 474 K C 1.182 177.716 176.600 -0.110 0.000 1.046 474 K CA 1.910 58.147 56.287 -0.083 0.000 0.929 474 K CB -0.004 32.453 32.500 -0.072 0.000 0.720 474 K HN 0.580 nan 8.250 nan 0.000 0.453 475 Q N 0.427 120.139 119.800 -0.147 0.000 2.302 475 Q HA 0.273 4.613 4.340 -0.000 0.000 0.332 475 Q C -0.787 175.070 176.000 -0.238 0.000 0.913 475 Q CA -0.384 55.314 55.803 -0.175 0.000 1.098 475 Q CB 0.267 28.907 28.738 -0.164 0.000 1.236 475 Q HN 0.079 nan 8.270 nan 0.000 0.436 476 I N 1.848 122.272 120.570 -0.244 0.000 2.276 476 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 476 I C 0.173 176.122 176.117 -0.279 0.000 1.109 476 I CA -0.263 60.851 61.300 -0.310 0.000 1.229 476 I CB 0.740 38.545 38.000 -0.325 0.000 1.452 476 I HN 0.110 nan 8.210 nan 0.000 0.497 477 K N 5.843 126.049 120.400 -0.324 0.000 2.029 477 K HA 0.100 4.420 4.320 -0.000 0.000 0.205 477 K C -0.595 175.876 176.600 -0.215 0.000 1.042 477 K CA 1.317 57.412 56.287 -0.320 0.000 0.949 477 K CB -0.069 32.135 32.500 -0.492 0.000 0.740 477 K HN 0.524 nan 8.250 nan 0.000 0.442 478 Y N -1.505 118.694 120.300 -0.168 0.000 2.492 478 Y HA 0.572 5.122 4.550 -0.000 0.000 0.346 478 Y C -0.924 174.827 175.900 -0.249 0.000 0.997 478 Y CA -3.029 54.978 58.100 -0.156 0.000 1.025 478 Y CB -0.120 38.305 38.460 -0.059 0.000 1.263 478 Y HN -0.229 nan 8.280 nan 0.000 0.454 479 F N 1.182 121.149 119.950 0.028 0.000 2.375 479 F HA 0.578 5.105 4.527 -0.000 0.000 0.333 479 F C 0.621 176.178 175.800 -0.404 0.000 1.104 479 F CA -0.038 57.803 58.000 -0.264 0.000 1.149 479 F CB 1.700 40.251 39.000 -0.749 0.000 1.190 479 F HN 0.493 nan 8.300 nan 0.000 0.533 480 T N 3.802 118.171 114.554 -0.308 0.000 2.791 480 T HA 0.380 4.729 4.350 -0.000 0.000 0.288 480 T C -1.080 173.348 174.700 -0.452 0.000 0.999 480 T CA -0.450 61.328 62.100 -0.538 0.000 0.952 480 T CB 0.093 68.487 68.868 -0.791 0.000 0.938 480 T HN 0.450 nan 8.240 nan 0.000 0.444 481 Y N 2.763 122.962 120.300 -0.169 0.000 2.468 481 Y HA 0.840 5.390 4.550 -0.000 0.000 0.342 481 Y C -1.144 174.757 175.900 0.001 0.000 1.021 481 Y CA -1.795 56.263 58.100 -0.071 0.000 1.079 481 Y CB 0.884 39.500 38.460 0.261 0.000 1.226 481 Y HN 0.312 nan 8.280 nan 0.000 0.460 482 L N 2.713 124.093 121.223 0.261 0.000 2.381 482 L HA 0.573 4.913 4.340 -0.000 0.000 0.268 482 L C -1.139 175.816 176.870 0.142 0.000 0.997 482 L CA -1.708 53.234 54.840 0.170 0.000 0.818 482 L CB 1.552 43.659 42.059 0.081 0.000 1.310 482 L HN 0.548 nan 8.230 nan 0.000 0.416 483 I N 3.686 124.283 120.570 0.045 0.000 2.307 483 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 483 I C -0.129 176.053 176.117 0.107 0.000 1.021 483 I CA -0.354 60.954 61.300 0.012 0.000 1.224 483 I CB 0.941 38.902 38.000 -0.065 0.000 1.376 483 I HN 0.560 nan 8.210 nan 0.000 0.470 484 L N 6.600 127.880 121.223 0.095 0.000 2.375 484 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 484 L C 0.341 177.312 176.870 0.168 0.000 1.107 484 L CA -0.247 54.672 54.840 0.132 0.000 0.806 484 L CB 1.229 43.352 42.059 0.105 0.000 1.146 484 L HN 0.683 nan 8.230 nan 0.000 0.447 485 N N 1.445 120.245 118.700 0.168 0.000 2.815 485 N HA 0.089 4.829 4.740 -0.000 0.000 0.253 485 N C -0.635 174.935 175.510 0.100 0.000 1.202 485 N CA -0.476 52.658 53.050 0.140 0.000 0.925 485 N CB 1.714 40.275 38.487 0.123 0.000 1.622 485 N HN 0.612 nan 8.380 nan 0.000 0.497 486 K N 0.834 121.290 120.400 0.093 0.000 3.495 486 K HA -0.205 4.115 4.320 -0.000 0.000 0.315 486 K C 0.604 177.250 176.600 0.077 0.000 1.301 486 K CA 1.361 57.701 56.287 0.087 0.000 0.985 486 K CB -1.522 31.019 32.500 0.068 0.000 1.244 486 K HN 1.075 nan 8.250 nan 0.000 0.433 487 G N 0.508 109.385 108.800 0.129 0.000 2.142 487 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.225 487 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.225 487 G C -0.332 174.751 174.900 0.305 0.000 1.015 487 G CA 0.602 45.862 45.100 0.267 0.000 0.716 487 G HN 0.393 nan 8.290 nan 0.000 0.508 488 K N -0.697 119.809 120.400 0.176 0.000 2.533 488 K HA 0.676 4.996 4.320 -0.000 0.000 0.272 488 K C -0.421 176.257 176.600 0.129 0.000 0.985 488 K CA -1.381 54.983 56.287 0.128 0.000 0.876 488 K CB 1.675 34.223 32.500 0.081 0.000 1.452 488 K HN 0.090 nan 8.250 nan 0.000 0.439 489 I N 2.775 123.416 120.570 0.118 0.000 2.278 489 I HA 0.050 4.220 4.170 -0.000 0.000 0.296 489 I C 0.748 176.999 176.117 0.224 0.000 1.121 489 I CA -0.437 60.948 61.300 0.140 0.000 1.267 489 I CB -0.230 37.830 38.000 0.099 0.000 1.447 489 I HN 0.517 nan 8.210 nan 0.000 0.509 490 F N 7.179 127.155 119.950 0.042 0.000 2.000 490 F HA 0.087 4.614 4.527 -0.000 0.000 0.294 490 F C 1.192 177.013 175.800 0.034 0.000 1.312 490 F CA 0.752 58.774 58.000 0.036 0.000 1.152 490 F CB -0.083 38.936 39.000 0.032 0.000 0.959 490 F HN 0.271 nan 8.300 nan 0.000 0.500 491 K N 0.637 120.837 120.400 -0.334 0.000 2.110 491 K HA 0.518 4.838 4.320 -0.000 0.000 0.263 491 K C -1.502 175.023 176.600 -0.125 0.000 0.975 491 K CA -0.456 55.564 56.287 -0.445 0.000 0.895 491 K CB 1.541 33.573 32.500 -0.780 0.000 1.060 491 K HN 0.229 nan 8.250 nan 0.000 0.448 492 V N 2.226 122.133 119.914 -0.012 0.000 2.823 492 V HA 0.857 4.977 4.120 -0.000 0.000 0.312 492 V C -0.480 175.757 176.094 0.239 0.000 1.072 492 V CA -0.002 62.381 62.300 0.139 0.000 0.937 492 V CB 1.899 33.776 31.823 0.090 0.000 1.013 492 V HN 1.032 nan 8.190 nan 0.000 0.430 493 G N 4.450 113.505 108.800 0.426 0.000 2.559 493 G HA2 0.605 4.565 3.960 -0.000 0.000 0.291 493 G HA3 0.605 4.565 3.960 -0.000 0.000 0.291 493 G C -1.964 172.592 174.900 -0.573 0.000 1.424 493 G CA -0.878 44.318 45.100 0.159 0.000 0.786 493 G HN 0.531 nan 8.290 nan 0.000 0.485 494 R N -0.055 120.179 120.500 -0.442 0.000 2.589 494 R HA 0.625 4.965 4.340 -0.000 0.000 0.293 494 R C -1.008 175.109 176.300 -0.306 0.000 0.963 494 R CA -0.928 54.906 56.100 -0.444 0.000 0.905 494 R CB 1.858 31.990 30.300 -0.280 0.000 1.144 494 R HN 0.582 nan 8.270 nan 0.000 0.459 495 Q N 2.784 122.482 119.800 -0.170 0.000 2.363 495 Q HA 0.403 4.743 4.340 -0.000 0.000 0.265 495 Q C -2.591 173.530 176.000 0.203 0.000 1.032 495 Q CA -2.082 53.786 55.803 0.109 0.000 0.746 495 Q CB 1.702 30.658 28.738 0.364 0.000 1.237 495 Q HN 0.187 nan 8.270 nan 0.000 0.475 496 P HA 0.067 nan 4.420 nan 0.000 0.267 496 P C -1.248 176.163 177.300 0.185 0.000 1.200 496 P CA 0.100 63.295 63.100 0.158 0.000 0.772 496 P CB 0.449 32.220 31.700 0.118 0.000 0.855 497 R N 1.881 122.449 120.500 0.114 0.000 2.599 497 R HA 0.599 4.939 4.340 -0.000 0.000 0.295 497 R C -0.708 175.623 176.300 0.052 0.000 0.963 497 R CA -0.824 55.345 56.100 0.115 0.000 0.883 497 R CB 1.636 31.975 30.300 0.064 0.000 1.171 497 R HN 0.317 nan 8.270 nan 0.000 0.450 498 R N 1.612 122.152 120.500 0.066 0.000 2.720 498 R HA 0.196 4.536 4.340 -0.000 0.000 0.272 498 R C -0.861 175.456 176.300 0.029 0.000 0.991 498 R CA -0.935 55.186 56.100 0.035 0.000 1.010 498 R CB 1.326 31.648 30.300 0.038 0.000 1.141 498 R HN 0.699 nan 8.270 nan 0.000 0.494 499 D N 0.052 120.457 120.400 0.008 0.000 2.455 499 D HA 0.128 4.768 4.640 -0.000 0.000 0.241 499 D C 0.995 177.307 176.300 0.021 0.000 1.138 499 D CA 2.044 56.045 54.000 0.002 0.000 0.877 499 D CB 0.841 41.633 40.800 -0.012 0.000 1.187 499 D HN 0.700 nan 8.370 nan 0.000 0.451 500 G N 2.848 111.664 108.800 0.025 0.000 2.213 500 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 500 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 500 G C 0.346 175.283 174.900 0.061 0.000 0.991 500 G CA 0.068 45.191 45.100 0.038 0.000 0.629 500 G HN 0.555 nan 8.290 nan 0.000 0.517 501 Q N 0.924 120.771 119.800 0.077 0.000 2.389 501 Q HA 0.425 4.765 4.340 -0.000 0.000 0.244 501 Q C 0.884 176.974 176.000 0.151 0.000 1.056 501 Q CA -0.393 55.480 55.803 0.116 0.000 0.908 501 Q CB 0.428 29.249 28.738 0.138 0.000 1.273 501 Q HN 0.304 nan 8.270 nan 0.000 0.471 502 N N 1.768 120.555 118.700 0.146 0.000 2.353 502 N HA 0.075 4.815 4.740 -0.000 0.000 0.185 502 N C -0.564 175.074 175.510 0.215 0.000 1.098 502 N CA 0.406 53.562 53.050 0.176 0.000 0.872 502 N CB 0.604 39.175 38.487 0.140 0.000 0.970 502 N HN 0.425 nan 8.380 nan 0.000 0.467 503 L N 0.763 122.103 121.223 0.195 0.000 2.471 503 L HA 0.443 4.783 4.340 -0.000 0.000 0.263 503 L C -1.643 175.340 176.870 0.189 0.000 0.985 503 L CA -0.396 54.558 54.840 0.189 0.000 0.868 503 L CB 1.432 43.573 42.059 0.137 0.000 1.203 503 L HN -0.349 nan 8.230 nan 0.000 0.429 504 V N 3.744 123.811 119.914 0.254 0.000 2.540 504 V HA 0.615 4.735 4.120 -0.000 0.000 0.302 504 V C -0.088 176.127 176.094 0.201 0.000 1.035 504 V CA -0.087 62.367 62.300 0.256 0.000 0.873 504 V CB 2.463 34.510 31.823 0.373 0.000 0.992 504 V HN 0.775 nan 8.190 nan 0.000 0.428 505 T N 7.030 121.651 114.554 0.111 0.000 2.908 505 T HA 0.707 5.057 4.350 -0.000 0.000 0.290 505 T C -0.762 173.945 174.700 0.012 0.000 1.034 505 T CA -0.443 61.654 62.100 -0.006 0.000 1.010 505 T CB 1.304 70.165 68.868 -0.012 0.000 1.068 505 T HN 0.749 nan 8.240 nan 0.000 0.481 506 M N 3.102 122.667 119.600 -0.059 0.000 2.371 506 M HA 0.492 4.972 4.480 -0.000 0.000 0.287 506 M C -1.649 174.636 176.300 -0.025 0.000 1.149 506 M CA -0.713 54.594 55.300 0.012 0.000 0.929 506 M CB 1.924 34.590 32.600 0.110 0.000 1.683 506 M HN 0.337 nan 8.290 nan 0.000 0.470 507 N N 3.766 122.467 118.700 0.001 0.000 2.420 507 N HA 0.259 4.999 4.740 -0.000 0.000 0.262 507 N C -1.286 174.211 175.510 -0.021 0.000 1.144 507 N CA -0.150 52.891 53.050 -0.016 0.000 0.952 507 N CB 0.935 39.426 38.487 0.006 0.000 1.081 507 N HN 0.577 nan 8.380 nan 0.000 0.480 508 L N 3.743 124.920 121.223 -0.076 0.000 2.307 508 L HA 0.232 4.572 4.340 -0.000 0.000 0.282 508 L C -0.298 176.545 176.870 -0.044 0.000 1.051 508 L CA -0.533 54.247 54.840 -0.101 0.000 0.804 508 L CB 0.756 42.670 42.059 -0.241 0.000 1.197 508 L HN 0.467 nan 8.230 nan 0.000 0.431 509 H N 5.228 124.229 119.070 -0.115 0.000 2.724 509 H HA 0.419 4.975 4.556 -0.000 0.000 0.278 509 H C -0.386 174.873 175.328 -0.115 0.000 1.159 509 H CA -0.761 55.228 56.048 -0.098 0.000 1.254 509 H CB 0.167 29.886 29.762 -0.073 0.000 1.412 509 H HN 0.506 nan 8.280 nan 0.000 0.488 510 I N 3.953 124.307 120.570 -0.361 0.000 2.710 510 I HA 0.042 4.212 4.170 -0.000 0.000 0.286 510 I C 0.984 176.891 176.117 -0.349 0.000 1.181 510 I CA 0.578 61.666 61.300 -0.353 0.000 1.430 510 I CB 0.515 38.270 38.000 -0.409 0.000 1.367 510 I HN 0.639 nan 8.210 nan 0.000 0.577 511 T N 5.385 119.822 114.554 -0.195 0.000 2.916 511 T HA 0.421 4.771 4.350 -0.000 0.000 0.305 511 T C -2.087 172.548 174.700 -0.108 0.000 1.119 511 T CA -1.745 60.295 62.100 -0.100 0.000 1.008 511 T CB 2.176 71.079 68.868 0.058 0.000 1.129 511 T HN 0.229 nan 8.240 nan 0.000 0.480 512 P HA -0.229 nan 4.420 nan 0.000 0.226 512 P C 0.756 177.970 177.300 -0.143 0.000 1.154 512 P CA 1.936 64.970 63.100 -0.110 0.000 0.901 512 P CB -0.054 31.618 31.700 -0.047 0.000 0.788 513 D N -0.670 119.670 120.400 -0.099 0.000 2.157 513 D HA -0.199 4.441 4.640 -0.000 0.000 0.191 513 D C 1.725 177.907 176.300 -0.196 0.000 1.004 513 D CA 1.201 55.107 54.000 -0.156 0.000 0.854 513 D CB -1.142 39.530 40.800 -0.214 0.000 0.936 513 D HN 0.262 nan 8.370 nan 0.000 0.446 514 L N 0.080 121.185 121.223 -0.198 0.000 2.456 514 L HA 0.043 4.383 4.340 -0.000 0.000 0.224 514 L C 0.772 177.381 176.870 -0.435 0.000 1.148 514 L CA -0.070 54.603 54.840 -0.278 0.000 0.825 514 L CB -0.693 41.085 42.059 -0.468 0.000 0.937 514 L HN 0.014 nan 8.230 nan 0.000 0.450 515 I N 2.805 123.081 120.570 -0.491 0.000 2.752 515 I HA -0.037 4.133 4.170 -0.000 0.000 0.289 515 I C -1.059 174.579 176.117 -0.798 0.000 1.197 515 I CA -0.581 60.291 61.300 -0.714 0.000 1.432 515 I CB 0.622 38.121 38.000 -0.835 0.000 1.359 515 I HN -0.062 nan 8.210 nan 0.000 0.571 516 P HA 0.055 nan 4.420 nan 0.000 0.272 516 P C -0.377 176.671 177.300 -0.420 0.000 1.276 516 P CA 0.244 62.941 63.100 -0.672 0.000 0.871 516 P CB 0.594 31.986 31.700 -0.512 0.000 1.313 517 S N 0.397 115.907 115.700 -0.316 0.000 2.584 517 S HA 0.619 5.089 4.470 -0.000 0.000 0.280 517 S C -0.870 173.678 174.600 -0.086 0.000 1.162 517 S CA -0.880 57.145 58.200 -0.292 0.000 0.951 517 S CB 0.039 63.195 63.200 -0.073 0.000 1.108 517 S HN 0.141 nan 8.310 nan 0.000 0.464 518 F N 1.274 120.970 119.950 -0.423 0.000 2.563 518 F HA 0.865 5.392 4.527 -0.000 0.000 0.316 518 F C -0.340 175.339 175.800 -0.202 0.000 1.076 518 F CA -1.502 56.364 58.000 -0.224 0.000 0.921 518 F CB 1.603 40.489 39.000 -0.189 0.000 1.209 518 F HN 0.689 nan 8.300 nan 0.000 0.462 519 R N 2.065 122.539 120.500 -0.044 0.000 2.668 519 R HA 0.571 4.911 4.340 -0.000 0.000 0.279 519 R C -1.934 174.254 176.300 -0.187 0.000 0.976 519 R CA -0.777 55.267 56.100 -0.092 0.000 0.978 519 R CB 1.940 32.337 30.300 0.161 0.000 1.133 519 R HN 0.620 nan 8.270 nan 0.000 0.484 520 F N 2.324 122.050 119.950 -0.372 0.000 2.403 520 F HA 0.385 4.912 4.527 -0.000 0.000 0.355 520 F C -0.916 174.783 175.800 -0.170 0.000 1.119 520 F CA -1.566 56.238 58.000 -0.327 0.000 1.007 520 F CB 1.495 40.268 39.000 -0.378 0.000 1.194 520 F HN 0.275 nan 8.300 nan 0.000 0.443 521 V N 3.821 123.695 119.914 -0.067 0.000 2.628 521 V HA 0.977 5.097 4.120 -0.000 0.000 0.306 521 V C -0.285 175.605 176.094 -0.340 0.000 1.045 521 V CA -0.881 61.269 62.300 -0.250 0.000 0.905 521 V CB 1.033 32.673 31.823 -0.304 0.000 0.997 521 V HN 0.955 nan 8.190 nan 0.000 0.436 522 A N 3.114 125.751 122.820 -0.304 0.000 2.594 522 A HA 0.985 5.305 4.320 -0.000 0.000 0.295 522 A C -1.572 175.994 177.584 -0.031 0.000 1.071 522 A CA -0.616 51.262 52.037 -0.264 0.000 0.685 522 A CB 2.129 20.885 19.000 -0.407 0.000 1.285 522 A HN 1.846 nan 8.150 nan 0.000 0.405 523 Y N -0.990 119.324 120.300 0.022 0.000 2.656 523 Y HA 0.817 5.367 4.550 -0.000 0.000 0.334 523 Y C -1.628 174.356 175.900 0.141 0.000 1.179 523 Y CA -2.144 56.004 58.100 0.081 0.000 1.050 523 Y CB 0.646 39.252 38.460 0.243 0.000 1.308 523 Y HN 1.347 nan 8.280 nan 0.000 0.456 524 Y N 0.249 120.848 120.300 0.498 0.000 2.576 524 Y HA 0.816 5.366 4.550 -0.000 0.000 0.346 524 Y C -1.557 174.395 175.900 0.087 0.000 1.018 524 Y CA -2.488 55.766 58.100 0.256 0.000 1.050 524 Y CB 1.354 39.767 38.460 -0.078 0.000 1.280 524 Y HN 0.697 nan 8.280 nan 0.000 0.474 525 Q N 1.033 120.910 119.800 0.129 0.000 2.340 525 Q HA 0.677 5.017 4.340 -0.000 0.000 0.268 525 Q C -1.486 174.357 176.000 -0.261 0.000 1.031 525 Q CA -1.045 54.653 55.803 -0.174 0.000 0.804 525 Q CB 2.057 30.524 28.738 -0.450 0.000 1.286 525 Q HN 0.600 nan 8.270 nan 0.000 0.448 526 V N 0.453 120.190 119.914 -0.295 0.000 2.407 526 V HA 0.736 4.856 4.120 -0.000 0.000 0.278 526 V C 1.197 177.164 176.094 -0.211 0.000 1.037 526 V CA -0.252 61.877 62.300 -0.284 0.000 0.900 526 V CB 0.401 32.042 31.823 -0.303 0.000 0.983 526 V HN 1.159 nan 8.190 nan 0.000 0.459 527 G N 4.360 113.047 108.800 -0.188 0.000 2.379 527 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.297 527 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.297 527 G C 0.439 175.256 174.900 -0.138 0.000 1.004 527 G CA 0.509 45.520 45.100 -0.149 0.000 0.921 527 G HN 1.356 nan 8.290 nan 0.000 0.511 528 N N -1.932 116.677 118.700 -0.151 0.000 2.753 528 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 528 N C 0.807 176.229 175.510 -0.146 0.000 1.097 528 N CA 1.920 54.885 53.050 -0.141 0.000 0.786 528 N CB -1.446 36.970 38.487 -0.118 0.000 1.137 528 N HN 0.775 nan 8.380 nan 0.000 0.566 529 N N 0.093 118.701 118.700 -0.153 0.000 2.486 529 N HA 0.032 4.772 4.740 -0.000 0.000 0.242 529 N C -0.272 175.147 175.510 -0.152 0.000 1.083 529 N CA 0.450 53.418 53.050 -0.137 0.000 0.844 529 N CB 0.617 39.035 38.487 -0.114 0.000 1.527 529 N HN 0.428 nan 8.380 nan 0.000 0.462 530 E N 1.275 121.375 120.200 -0.166 0.000 2.197 530 E HA 0.307 4.657 4.350 -0.000 0.000 0.281 530 E C -0.508 175.993 176.600 -0.165 0.000 0.995 530 E CA -0.582 55.724 56.400 -0.156 0.000 0.808 530 E CB 0.740 30.350 29.700 -0.149 0.000 1.093 530 E HN 0.306 nan 8.360 nan 0.000 0.394 531 I N 1.949 122.428 120.570 -0.152 0.000 2.436 531 I HA 0.564 4.734 4.170 -0.000 0.000 0.289 531 I C -0.863 175.260 176.117 0.010 0.000 1.010 531 I CA -1.044 60.162 61.300 -0.157 0.000 1.098 531 I CB 1.456 39.215 38.000 -0.401 0.000 1.266 531 I HN 0.215 nan 8.210 nan 0.000 0.434 532 V N 4.700 124.757 119.914 0.238 0.000 2.789 532 V HA 0.945 5.065 4.120 -0.000 0.000 0.311 532 V C -0.085 176.151 176.094 0.236 0.000 1.073 532 V CA -0.184 62.292 62.300 0.293 0.000 0.921 532 V CB 2.067 34.103 31.823 0.355 0.000 1.009 532 V HN 1.086 nan 8.190 nan 0.000 0.426 533 A N 3.404 126.415 122.820 0.318 0.000 2.533 533 A HA 0.959 5.279 4.320 -0.000 0.000 0.293 533 A C -1.695 175.990 177.584 0.169 0.000 1.228 533 A CA -0.440 51.764 52.037 0.278 0.000 0.689 533 A CB 2.154 21.480 19.000 0.544 0.000 1.303 533 A HN 0.766 nan 8.150 nan 0.000 0.444 534 D N -1.383 119.058 120.400 0.070 0.000 2.663 534 D HA 0.553 5.193 4.640 -0.000 0.000 0.233 534 D C -1.207 175.056 176.300 -0.062 0.000 1.240 534 D CA 0.536 54.537 54.000 0.002 0.000 0.774 534 D CB 1.894 42.723 40.800 0.049 0.000 1.443 534 D HN 0.973 nan 8.370 nan 0.000 0.441 535 S N 0.632 116.310 115.700 -0.037 0.000 2.538 535 S HA 0.756 5.226 4.470 -0.000 0.000 0.288 535 S C -1.311 173.312 174.600 0.038 0.000 1.108 535 S CA -0.753 57.424 58.200 -0.038 0.000 0.971 535 S CB 1.648 64.830 63.200 -0.031 0.000 1.041 535 S HN 0.451 nan 8.310 nan 0.000 0.483 536 V N 3.488 123.432 119.914 0.051 0.000 2.769 536 V HA 0.796 4.916 4.120 -0.000 0.000 0.312 536 V C -1.707 174.468 176.094 0.135 0.000 1.061 536 V CA -0.789 61.575 62.300 0.107 0.000 0.931 536 V CB 1.921 33.784 31.823 0.067 0.000 1.010 536 V HN 1.034 nan 8.190 nan 0.000 0.433 537 W N 5.644 126.934 121.300 -0.015 0.000 2.529 537 W HA 0.755 5.415 4.660 -0.000 0.000 0.321 537 W C -1.446 175.082 176.519 0.014 0.000 1.047 537 W CA -0.447 56.886 57.345 -0.021 0.000 1.216 537 W CB 1.750 31.213 29.460 0.005 0.000 1.357 537 W HN 0.475 nan 8.180 nan 0.000 0.489 538 V N 5.780 125.348 119.914 -0.576 0.000 2.656 538 V HA 0.199 4.319 4.120 -0.000 0.000 0.307 538 V C -0.742 174.877 176.094 -0.791 0.000 1.051 538 V CA -0.815 61.231 62.300 -0.424 0.000 0.893 538 V CB 1.717 33.663 31.823 0.205 0.000 0.999 538 V HN 0.439 nan 8.190 nan 0.000 0.426 539 D N 2.961 122.934 120.400 -0.711 0.000 2.316 539 D HA 0.393 5.033 4.640 -0.000 0.000 0.245 539 D C -0.325 175.749 176.300 -0.376 0.000 1.171 539 D CA 0.111 53.774 54.000 -0.562 0.000 0.856 539 D CB 1.645 42.247 40.800 -0.330 0.000 1.090 539 D HN 0.262 nan 8.370 nan 0.000 0.476 540 V N 3.654 123.302 119.914 -0.444 0.000 2.686 540 V HA 0.143 4.263 4.120 -0.000 0.000 0.295 540 V C 0.639 176.537 176.094 -0.326 0.000 1.057 540 V CA -0.899 61.142 62.300 -0.432 0.000 1.012 540 V CB 1.301 32.783 31.823 -0.568 0.000 1.006 540 V HN 0.435 nan 8.190 nan 0.000 0.477 541 K N 2.749 122.998 120.400 -0.251 0.000 2.440 541 K HA -0.064 4.256 4.320 -0.000 0.000 0.275 541 K C -0.201 176.288 176.600 -0.185 0.000 1.082 541 K CA 0.384 56.570 56.287 -0.168 0.000 1.135 541 K CB -0.408 32.017 32.500 -0.126 0.000 0.864 541 K HN 0.577 nan 8.250 nan 0.000 0.479 542 D N 3.094 123.421 120.400 -0.122 0.000 2.541 542 D HA 0.006 4.646 4.640 -0.000 0.000 0.231 542 D C 0.214 176.633 176.300 0.198 0.000 1.163 542 D CA 0.339 54.285 54.000 -0.090 0.000 1.077 542 D CB -0.015 40.832 40.800 0.079 0.000 1.110 542 D HN 0.598 nan 8.370 nan 0.000 0.499 543 T N -1.385 113.271 114.554 0.170 0.000 2.807 543 T HA 0.341 4.691 4.350 -0.000 0.000 0.277 543 T C -0.022 174.943 174.700 0.442 0.000 1.006 543 T CA -0.733 61.525 62.100 0.264 0.000 1.006 543 T CB 0.997 69.907 68.868 0.069 0.000 1.274 543 T HN 0.210 nan 8.240 nan 0.000 0.569 544 c N 2.718 121.426 118.600 0.180 0.000 2.632 544 c HA 0.301 4.871 4.570 -0.000 0.000 0.415 544 c C 2.397 176.556 174.090 0.115 0.000 1.332 544 c CA -0.486 55.908 56.329 0.108 0.000 1.874 544 c CB -1.099 41.408 42.510 -0.004 0.000 2.596 544 c HN 0.898 nan 8.230 nan 0.000 0.590 545 M N 2.951 122.639 119.600 0.146 0.000 2.086 545 M HA -0.021 4.459 4.480 -0.000 0.000 0.261 545 M C 1.424 177.729 176.300 0.008 0.000 1.067 545 M CA 2.030 57.381 55.300 0.085 0.000 1.116 545 M CB -0.743 31.910 32.600 0.090 0.000 1.348 545 M HN 0.928 nan 8.290 nan 0.000 0.407 546 G N -0.813 107.975 108.800 -0.019 0.000 2.890 546 G HA2 0.455 4.415 3.960 -0.000 0.000 0.189 546 G HA3 0.455 4.415 3.960 -0.000 0.000 0.189 546 G C -0.838 174.039 174.900 -0.037 0.000 1.342 546 G CA -0.390 44.689 45.100 -0.035 0.000 1.026 546 G HN 0.222 nan 8.290 nan 0.000 0.579 547 T N -0.387 114.141 114.554 -0.043 0.000 2.908 547 T HA 0.634 4.984 4.350 -0.000 0.000 0.290 547 T C -1.326 173.340 174.700 -0.056 0.000 1.034 547 T CA -0.217 61.856 62.100 -0.044 0.000 1.010 547 T CB 1.913 70.759 68.868 -0.037 0.000 1.068 547 T HN 0.393 nan 8.240 nan 0.000 0.481 548 L N 2.836 124.024 121.223 -0.059 0.000 2.737 548 L HA 0.578 4.918 4.340 -0.000 0.000 0.261 548 L C -1.443 175.390 176.870 -0.061 0.000 0.949 548 L CA -0.480 54.320 54.840 -0.066 0.000 0.952 548 L CB 1.503 43.510 42.059 -0.085 0.000 1.337 548 L HN 0.646 nan 8.230 nan 0.000 0.430 549 V N 2.042 121.920 119.914 -0.060 0.000 2.808 549 V HA 0.723 4.843 4.120 -0.000 0.000 0.308 549 V C -0.791 175.261 176.094 -0.070 0.000 1.099 549 V CA -0.882 61.382 62.300 -0.061 0.000 0.920 549 V CB 1.924 33.710 31.823 -0.062 0.000 1.014 549 V HN 0.266 nan 8.190 nan 0.000 0.425 550 V N 3.648 123.521 119.914 -0.068 0.000 2.334 550 V HA 0.390 4.510 4.120 -0.000 0.000 0.267 550 V C 0.386 176.364 176.094 -0.192 0.000 1.040 550 V CA -0.227 62.034 62.300 -0.064 0.000 0.866 550 V CB 0.856 32.706 31.823 0.045 0.000 1.019 550 V HN 0.978 nan 8.190 nan 0.000 0.468 551 K N 3.286 123.576 120.400 -0.183 0.000 2.143 551 K HA 0.707 5.027 4.320 -0.000 0.000 0.272 551 K C 0.403 176.823 176.600 -0.300 0.000 1.001 551 K CA 0.032 56.166 56.287 -0.255 0.000 0.915 551 K CB 1.506 33.925 32.500 -0.134 0.000 1.047 551 K HN 0.804 nan 8.250 nan 0.000 0.458 552 G N 1.232 109.774 108.800 -0.430 0.000 2.976 552 G HA2 0.125 4.085 3.960 -0.000 0.000 0.276 552 G HA3 0.125 4.085 3.960 -0.000 0.000 0.276 552 G C -0.817 174.051 174.900 -0.054 0.000 1.207 552 G CA -0.342 44.636 45.100 -0.204 0.000 0.803 552 G HN 0.666 nan 8.290 nan 0.000 0.572 553 D N -1.838 118.633 120.400 0.118 0.000 2.469 553 D HA 0.117 4.757 4.640 -0.000 0.000 0.240 553 D C 0.751 177.126 176.300 0.126 0.000 1.087 553 D CA 0.222 54.282 54.000 0.101 0.000 0.876 553 D CB 0.039 40.908 40.800 0.116 0.000 1.160 553 D HN 0.263 nan 8.370 nan 0.000 0.497 554 N N -0.751 118.086 118.700 0.228 0.000 2.828 554 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 554 N C -0.949 174.653 175.510 0.153 0.000 1.044 554 N CA 0.982 54.163 53.050 0.220 0.000 0.851 554 N CB -1.821 36.756 38.487 0.150 0.000 1.136 554 N HN 0.379 nan 8.380 nan 0.000 0.572 555 L N -1.292 120.014 121.223 0.139 0.000 2.334 555 L HA 0.620 4.960 4.340 -0.000 0.000 0.277 555 L C 0.468 177.402 176.870 0.106 0.000 1.075 555 L CA -1.159 53.745 54.840 0.106 0.000 0.804 555 L CB 0.283 42.395 42.059 0.088 0.000 1.174 555 L HN -0.051 nan 8.230 nan 0.000 0.438 556 I N 1.862 122.485 120.570 0.088 0.000 2.792 556 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 556 I C 0.608 176.768 176.117 0.072 0.000 1.166 556 I CA 0.486 61.834 61.300 0.080 0.000 1.375 556 I CB -1.014 37.029 38.000 0.071 0.000 1.421 556 I HN 0.537 nan 8.210 nan 0.000 0.544 557 Q N 6.259 126.105 119.800 0.077 0.000 2.317 557 Q HA 0.547 4.887 4.340 -0.000 0.000 0.229 557 Q C -0.252 175.771 176.000 0.038 0.000 0.984 557 Q CA -0.158 55.684 55.803 0.064 0.000 0.911 557 Q CB 1.387 30.175 28.738 0.083 0.000 1.217 557 Q HN 0.594 nan 8.270 nan 0.000 0.501 558 M N 1.510 121.120 119.600 0.017 0.000 2.456 558 M HA 0.385 4.865 4.480 -0.000 0.000 0.324 558 M C -2.280 173.998 176.300 -0.036 0.000 1.124 558 M CA -2.091 53.205 55.300 -0.007 0.000 0.959 558 M CB 1.667 34.266 32.600 -0.001 0.000 1.692 558 M HN 0.140 nan 8.290 nan 0.000 0.444 559 P HA -0.085 nan 4.420 nan 0.000 0.263 559 P C 0.878 178.099 177.300 -0.131 0.000 1.162 559 P CA 1.363 64.411 63.100 -0.087 0.000 0.758 559 P CB 0.273 31.907 31.700 -0.110 0.000 0.773 560 G N 1.794 110.493 108.800 -0.167 0.000 2.256 560 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.279 560 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.279 560 G C 0.606 175.337 174.900 -0.281 0.000 0.998 560 G CA 0.405 45.369 45.100 -0.227 0.000 0.720 560 G HN 0.875 nan 8.290 nan 0.000 0.521 561 A N -0.319 122.367 122.820 -0.222 0.000 2.327 561 A HA 0.794 5.114 4.320 -0.000 0.000 0.255 561 A C 0.973 178.393 177.584 -0.273 0.000 1.099 561 A CA 0.668 52.556 52.037 -0.249 0.000 0.801 561 A CB 0.430 19.354 19.000 -0.128 0.000 1.062 561 A HN 1.988 nan 8.150 nan 0.000 0.496 562 A N 1.478 124.149 122.820 -0.249 0.000 2.409 562 A HA 0.581 4.901 4.320 -0.000 0.000 0.262 562 A C 0.076 177.683 177.584 0.038 0.000 1.113 562 A CA 0.101 52.113 52.037 -0.040 0.000 0.790 562 A CB -0.108 18.917 19.000 0.041 0.000 1.046 562 A HN 0.764 nan 8.150 nan 0.000 0.496 563 M N 1.818 121.455 119.600 0.062 0.000 2.530 563 M HA 0.420 4.900 4.480 -0.000 0.000 0.307 563 M C -0.706 175.831 176.300 0.396 0.000 1.161 563 M CA -0.326 55.040 55.300 0.109 0.000 0.903 563 M CB 2.345 34.841 32.600 -0.174 0.000 1.711 563 M HN 0.761 nan 8.290 nan 0.000 0.451 564 K N 3.505 124.123 120.400 0.364 0.000 2.376 564 K HA 0.744 5.064 4.320 -0.000 0.000 0.257 564 K C -1.254 175.519 176.600 0.288 0.000 0.939 564 K CA -0.482 55.988 56.287 0.305 0.000 0.809 564 K CB 1.899 34.509 32.500 0.184 0.000 1.121 564 K HN 0.710 nan 8.250 nan 0.000 0.425 565 I N 0.193 120.875 120.570 0.187 0.000 2.533 565 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 565 I C -0.908 175.220 176.117 0.018 0.000 1.056 565 I CA -1.074 60.300 61.300 0.124 0.000 1.057 565 I CB 1.954 40.031 38.000 0.128 0.000 1.240 565 I HN 0.275 nan 8.210 nan 0.000 0.423 566 K N 5.475 125.878 120.400 0.004 0.000 2.098 566 K HA 0.639 4.959 4.320 -0.000 0.000 0.257 566 K C -1.020 175.551 176.600 -0.047 0.000 0.999 566 K CA -0.722 55.551 56.287 -0.024 0.000 0.924 566 K CB 1.751 34.237 32.500 -0.023 0.000 1.028 566 K HN 0.529 nan 8.250 nan 0.000 0.466 567 L N 2.869 124.062 121.223 -0.050 0.000 2.415 567 L HA 0.269 4.609 4.340 -0.000 0.000 0.268 567 L C -0.963 175.878 176.870 -0.050 0.000 0.984 567 L CA -0.277 54.528 54.840 -0.058 0.000 0.853 567 L CB 1.563 43.581 42.059 -0.068 0.000 1.215 567 L HN 0.694 nan 8.230 nan 0.000 0.419 568 E N 2.598 122.767 120.200 -0.052 0.000 2.133 568 E HA 0.658 5.008 4.350 -0.000 0.000 0.274 568 E C -0.063 176.510 176.600 -0.045 0.000 0.930 568 E CA -0.365 56.008 56.400 -0.044 0.000 0.770 568 E CB 2.499 32.173 29.700 -0.043 0.000 1.104 568 E HN 0.727 nan 8.360 nan 0.000 0.403 569 G N 2.543 111.320 108.800 -0.039 0.000 2.619 569 G HA2 0.217 4.177 3.960 -0.000 0.000 0.305 569 G HA3 0.217 4.177 3.960 -0.000 0.000 0.305 569 G C -1.501 173.380 174.900 -0.032 0.000 1.330 569 G CA -0.930 44.145 45.100 -0.040 0.000 0.789 569 G HN 0.439 nan 8.290 nan 0.000 0.487 570 D N 1.820 122.200 120.400 -0.034 0.000 2.383 570 D HA 0.413 5.053 4.640 -0.000 0.000 0.252 570 D C -2.230 174.061 176.300 -0.015 0.000 1.166 570 D CA -0.494 53.490 54.000 -0.027 0.000 0.879 570 D CB 1.026 41.804 40.800 -0.037 0.000 1.164 570 D HN 0.026 nan 8.370 nan 0.000 0.462 571 P HA -0.004 nan 4.420 nan 0.000 0.263 571 P C 1.151 178.457 177.300 0.009 0.000 1.168 571 P CA 0.673 63.773 63.100 -0.001 0.000 0.759 571 P CB 0.567 32.267 31.700 0.001 0.000 0.782 572 G N 1.563 110.371 108.800 0.015 0.000 2.196 572 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.268 572 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.268 572 G C 0.512 175.439 174.900 0.045 0.000 0.975 572 G CA 0.163 45.280 45.100 0.028 0.000 0.648 572 G HN 0.882 nan 8.290 nan 0.000 0.538 573 A N 0.138 122.978 122.820 0.034 0.000 2.498 573 A HA 0.557 4.877 4.320 -0.000 0.000 0.239 573 A C 0.884 178.504 177.584 0.061 0.000 1.068 573 A CA 0.848 52.915 52.037 0.049 0.000 0.766 573 A CB 0.136 19.141 19.000 0.009 0.000 1.003 573 A HN 1.268 nan 8.150 nan 0.000 0.497 574 R N 2.338 122.904 120.500 0.110 0.000 2.207 574 R HA 0.499 4.839 4.340 -0.000 0.000 0.334 574 R C -1.608 174.743 176.300 0.085 0.000 1.013 574 R CA -0.335 55.825 56.100 0.101 0.000 0.858 574 R CB 0.621 30.999 30.300 0.129 0.000 1.094 574 R HN 0.355 nan 8.270 nan 0.000 0.457 575 V N 3.761 123.691 119.914 0.027 0.000 2.398 575 V HA 0.520 4.640 4.120 -0.000 0.000 0.286 575 V C 0.527 176.593 176.094 -0.047 0.000 1.026 575 V CA -0.695 61.596 62.300 -0.016 0.000 0.868 575 V CB 1.737 33.523 31.823 -0.061 0.000 0.982 575 V HN 0.947 nan 8.190 nan 0.000 0.443 576 G N 5.292 114.066 108.800 -0.044 0.000 2.468 576 G HA2 0.643 4.603 3.960 -0.000 0.000 0.320 576 G HA3 0.643 4.603 3.960 -0.000 0.000 0.320 576 G C -0.727 173.991 174.900 -0.303 0.000 1.137 576 G CA -0.407 44.585 45.100 -0.180 0.000 0.984 576 G HN 0.573 nan 8.290 nan 0.000 0.462 577 L N 1.731 122.723 121.223 -0.386 0.000 2.375 577 L HA 0.804 5.144 4.340 -0.000 0.000 0.268 577 L C -0.010 176.563 176.870 -0.495 0.000 1.058 577 L CA -1.152 53.465 54.840 -0.372 0.000 0.803 577 L CB 1.918 43.781 42.059 -0.327 0.000 1.212 577 L HN 0.299 nan 8.230 nan 0.000 0.451 578 V N 0.609 120.291 119.914 -0.386 0.000 2.969 578 V HA 0.831 4.951 4.120 -0.000 0.000 0.304 578 V C -1.258 174.639 176.094 -0.329 0.000 1.192 578 V CA -0.315 61.799 62.300 -0.310 0.000 0.962 578 V CB 2.088 33.816 31.823 -0.158 0.000 1.045 578 V HN 0.873 nan 8.190 nan 0.000 0.428 579 A N 5.087 127.632 122.820 -0.457 0.000 2.317 579 A HA 0.929 5.249 4.320 -0.000 0.000 0.327 579 A C -1.094 176.315 177.584 -0.291 0.000 1.178 579 A CA -0.541 51.135 52.037 -0.603 0.000 0.817 579 A CB 1.695 19.810 19.000 -1.476 0.000 1.189 579 A HN 1.388 nan 8.150 nan 0.000 0.489 580 V N 2.347 122.272 119.914 0.018 0.000 2.733 580 V HA 0.217 4.337 4.120 -0.000 0.000 0.306 580 V C -0.889 175.506 176.094 0.502 0.000 1.084 580 V CA -0.828 61.622 62.300 0.250 0.000 0.905 580 V CB 2.064 33.928 31.823 0.067 0.000 1.010 580 V HN 1.005 nan 8.190 nan 0.000 0.424 581 D N 4.369 125.127 120.400 0.598 0.000 2.412 581 D HA 0.030 4.670 4.640 -0.000 0.000 0.257 581 D C 1.344 177.713 176.300 0.116 0.000 1.217 581 D CA 0.341 54.485 54.000 0.241 0.000 0.897 581 D CB 0.876 41.753 40.800 0.128 0.000 1.132 581 D HN 0.469 nan 8.370 nan 0.000 0.493 582 K N 3.301 123.739 120.400 0.063 0.000 2.159 582 K HA -0.350 3.970 4.320 -0.000 0.000 0.217 582 K C 1.563 178.192 176.600 0.049 0.000 1.048 582 K CA 1.727 58.065 56.287 0.084 0.000 0.941 582 K CB -0.461 32.038 32.500 -0.002 0.000 0.738 582 K HN 0.627 nan 8.250 nan 0.000 0.469 583 A N 0.717 123.521 122.820 -0.027 0.000 1.912 583 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 583 A C 2.303 179.865 177.584 -0.036 0.000 1.309 583 A CA 3.603 55.596 52.037 -0.074 0.000 0.726 583 A CB -1.428 17.508 19.000 -0.106 0.000 0.840 583 A HN 0.207 nan 8.150 nan 0.000 0.473 584 V N -2.883 117.026 119.914 -0.009 0.000 2.370 584 V HA -0.333 3.787 4.120 -0.000 0.000 0.252 584 V C 2.414 178.561 176.094 0.090 0.000 1.068 584 V CA 2.536 64.837 62.300 0.002 0.000 1.061 584 V CB -1.589 30.226 31.823 -0.014 0.000 0.656 584 V HN 0.615 nan 8.190 nan 0.000 0.455 585 Y N 1.473 121.756 120.300 -0.028 0.000 2.224 585 Y HA -0.138 4.412 4.550 -0.000 0.000 0.289 585 Y C 2.377 178.256 175.900 -0.035 0.000 1.146 585 Y CA 1.422 59.514 58.100 -0.014 0.000 1.182 585 Y CB -0.511 37.953 38.460 0.007 0.000 0.983 585 Y HN 0.158 nan 8.280 nan 0.000 0.524 586 V N -0.322 119.551 119.914 -0.068 0.000 2.331 586 V HA -0.252 3.868 4.120 -0.000 0.000 0.242 586 V C 2.587 178.606 176.094 -0.125 0.000 1.034 586 V CA 1.451 63.635 62.300 -0.193 0.000 1.027 586 V CB -0.983 30.729 31.823 -0.185 0.000 0.667 586 V HN 0.286 nan 8.190 nan 0.000 0.457 587 L N 0.150 121.318 121.223 -0.092 0.000 2.103 587 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 587 L C 1.235 178.054 176.870 -0.085 0.000 1.080 587 L CA 1.587 56.380 54.840 -0.079 0.000 0.764 587 L CB -0.286 41.740 42.059 -0.054 0.000 0.890 587 L HN 0.393 nan 8.230 nan 0.000 0.435 588 N N -0.302 118.358 118.700 -0.067 0.000 2.851 588 N HA 0.037 4.777 4.740 -0.000 0.000 0.248 588 N C -0.151 175.287 175.510 -0.120 0.000 1.221 588 N CA -0.164 52.798 53.050 -0.146 0.000 0.847 588 N CB 0.900 39.274 38.487 -0.188 0.000 1.150 588 N HN 0.076 nan 8.380 nan 0.000 0.507 589 D N 1.288 121.611 120.400 -0.129 0.000 2.078 589 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 589 D C 1.739 178.017 176.300 -0.037 0.000 0.990 589 D CA 1.306 55.263 54.000 -0.071 0.000 0.827 589 D CB 0.432 41.181 40.800 -0.085 0.000 0.975 589 D HN 0.448 nan 8.370 nan 0.000 0.451 590 K N -0.217 120.121 120.400 -0.102 0.000 2.113 590 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 590 K C 1.953 178.670 176.600 0.196 0.000 1.047 590 K CA 1.262 57.558 56.287 0.015 0.000 0.928 590 K CB -0.191 32.317 32.500 0.013 0.000 0.716 590 K HN 0.139 nan 8.250 nan 0.000 0.446 591 Y N 1.012 121.375 120.300 0.104 0.000 2.516 591 Y HA 0.103 4.653 4.550 0.000 0.000 0.291 591 Y C 0.817 176.774 175.900 0.095 0.000 1.131 591 Y CA 0.055 58.219 58.100 0.106 0.000 1.281 591 Y CB -0.659 37.896 38.460 0.159 0.000 1.013 591 Y HN 0.032 nan 8.280 nan 0.000 0.554 592 K N 1.731 122.276 120.400 0.241 0.000 2.469 592 K HA 0.023 4.343 4.320 -0.000 0.000 0.274 592 K C 0.119 176.794 176.600 0.124 0.000 0.983 592 K CA -0.132 56.266 56.287 0.184 0.000 0.974 592 K CB 0.268 32.881 32.500 0.189 0.000 0.913 592 K HN 0.242 nan 8.250 nan 0.000 0.493 593 I N 2.156 122.783 120.570 0.094 0.000 2.474 593 I HA 0.129 4.299 4.170 -0.000 0.000 0.287 593 I C -0.632 175.457 176.117 -0.045 0.000 1.048 593 I CA 0.197 61.507 61.300 0.017 0.000 1.383 593 I CB 1.119 39.148 38.000 0.049 0.000 1.412 593 I HN 0.678 nan 8.210 nan 0.000 0.531 594 S N 4.780 120.403 115.700 -0.128 0.000 2.564 594 S HA 0.239 4.709 4.470 -0.000 0.000 0.274 594 S C 0.338 174.790 174.600 -0.246 0.000 1.124 594 S CA -0.613 57.507 58.200 -0.133 0.000 0.869 594 S CB 1.954 65.122 63.200 -0.054 0.000 1.105 594 S HN 0.792 nan 8.310 nan 0.000 0.472 595 Q N 2.615 122.275 119.800 -0.233 0.000 2.112 595 Q HA -0.045 4.295 4.340 -0.000 0.000 0.206 595 Q C 2.141 177.973 176.000 -0.280 0.000 0.987 595 Q CA 2.915 58.517 55.803 -0.335 0.000 0.858 595 Q CB -1.004 27.610 28.738 -0.207 0.000 0.905 595 Q HN 0.920 nan 8.270 nan 0.000 0.420 596 A N 0.529 123.281 122.820 -0.112 0.000 1.842 596 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 596 A C 2.053 179.602 177.584 -0.058 0.000 1.206 596 A CA 2.244 54.269 52.037 -0.020 0.000 0.630 596 A CB -0.758 18.245 19.000 0.006 0.000 0.839 596 A HN 0.428 nan 8.150 nan 0.000 0.447 597 K N -0.550 119.783 120.400 -0.111 0.000 2.113 597 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 597 K C 1.841 178.288 176.600 -0.256 0.000 1.047 597 K CA 1.493 57.705 56.287 -0.125 0.000 0.928 597 K CB -0.386 32.048 32.500 -0.110 0.000 0.716 597 K HN 0.573 nan 8.250 nan 0.000 0.446 598 I N -0.421 119.845 120.570 -0.508 0.000 2.058 598 I HA -0.336 3.834 4.170 -0.000 0.000 0.235 598 I C 2.118 178.101 176.117 -0.223 0.000 1.053 598 I CA 1.847 62.688 61.300 -0.764 0.000 1.313 598 I CB -0.638 36.775 38.000 -0.977 0.000 1.039 598 I HN 0.393 nan 8.210 nan 0.000 0.396 599 W N 1.383 122.608 121.300 -0.126 0.000 2.302 599 W HA -0.291 4.369 4.660 -0.000 0.000 0.320 599 W C 2.507 178.997 176.519 -0.047 0.000 1.241 599 W CA 0.671 57.982 57.345 -0.057 0.000 1.264 599 W CB -0.496 28.932 29.460 -0.053 0.000 1.154 599 W HN 0.236 nan 8.180 nan 0.000 0.483 600 D N -0.512 120.008 120.400 0.199 0.000 2.106 600 D HA -0.189 4.451 4.640 -0.000 0.000 0.191 600 D C 1.928 178.260 176.300 0.053 0.000 0.997 600 D CA 2.303 56.369 54.000 0.111 0.000 0.834 600 D CB -1.236 39.607 40.800 0.071 0.000 0.956 600 D HN 0.070 nan 8.370 nan 0.000 0.448 601 T N 0.762 115.321 114.554 0.010 0.000 2.869 601 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 601 T C 2.086 176.603 174.700 -0.306 0.000 1.082 601 T CA 0.690 62.740 62.100 -0.083 0.000 1.123 601 T CB -0.104 68.771 68.868 0.012 0.000 0.856 601 T HN 0.237 nan 8.240 nan 0.000 0.499 602 I N 0.122 120.623 120.570 -0.115 0.000 2.556 602 I HA 0.031 4.201 4.170 -0.000 0.000 0.251 602 I C 2.588 178.757 176.117 0.086 0.000 1.105 602 I CA 0.606 61.851 61.300 -0.090 0.000 1.436 602 I CB -0.381 37.824 38.000 0.340 0.000 1.139 602 I HN 0.156 nan 8.210 nan 0.000 0.438 603 E N 2.066 122.344 120.200 0.129 0.000 2.108 603 E HA -0.268 4.082 4.350 -0.000 0.000 0.203 603 E C 1.055 177.690 176.600 0.060 0.000 1.022 603 E CA 1.479 57.944 56.400 0.108 0.000 0.823 603 E CB -0.013 29.759 29.700 0.120 0.000 0.744 603 E HN 0.324 nan 8.360 nan 0.000 0.456 604 K N 0.250 120.659 120.400 0.016 0.000 3.414 604 K HA -0.043 4.277 4.320 -0.000 0.000 0.297 604 K C 0.854 177.443 176.600 -0.019 0.000 0.885 604 K CA 0.498 56.776 56.287 -0.015 0.000 1.051 604 K CB -0.104 32.383 32.500 -0.021 0.000 1.158 604 K HN 0.141 nan 8.250 nan 0.000 0.365 605 S N -1.404 114.286 115.700 -0.017 0.000 2.784 605 S HA -0.084 4.386 4.470 -0.000 0.000 0.266 605 S C 0.309 174.725 174.600 -0.306 0.000 1.079 605 S CA -0.463 57.671 58.200 -0.110 0.000 0.989 605 S CB -0.039 63.222 63.200 0.101 0.000 0.926 605 S HN 0.423 nan 8.310 nan 0.000 0.497 606 D N 2.487 122.824 120.400 -0.105 0.000 2.451 606 D HA -0.032 4.608 4.640 -0.000 0.000 0.254 606 D C 0.017 176.269 176.300 -0.080 0.000 1.204 606 D CA -0.262 53.709 54.000 -0.049 0.000 0.896 606 D CB -0.062 40.807 40.800 0.115 0.000 1.136 606 D HN 0.311 nan 8.370 nan 0.000 0.499 607 F N 2.195 122.180 119.950 0.059 0.000 2.724 607 F HA 0.120 4.647 4.527 -0.000 0.000 0.297 607 F C 2.100 177.911 175.800 0.019 0.000 1.200 607 F CA 0.544 58.563 58.000 0.032 0.000 1.468 607 F CB -0.402 38.609 39.000 0.020 0.000 1.116 607 F HN 0.443 nan 8.300 nan 0.000 0.599 608 G N -1.296 107.592 108.800 0.146 0.000 2.634 608 G HA2 0.250 4.210 3.960 -0.000 0.000 0.255 608 G HA3 0.250 4.210 3.960 -0.000 0.000 0.255 608 G C 0.213 175.113 174.900 -0.001 0.000 1.205 608 G CA -0.188 44.956 45.100 0.074 0.000 0.884 608 G HN 0.390 nan 8.290 nan 0.000 0.549 609 c N -0.743 117.841 118.600 -0.027 0.000 4.154 609 c HA 0.401 4.971 4.570 -0.000 0.000 0.359 609 c C 0.768 174.812 174.090 -0.077 0.000 1.702 609 c CA 0.398 56.697 56.329 -0.049 0.000 1.900 609 c CB -0.885 41.627 42.510 0.003 0.000 3.051 609 c HN 1.040 nan 8.230 nan 0.000 0.670 610 T N -2.370 112.139 114.554 -0.076 0.000 2.841 610 T HA 0.644 4.994 4.350 -0.000 0.000 0.296 610 T C 0.828 175.467 174.700 -0.102 0.000 1.166 610 T CA 0.356 62.408 62.100 -0.081 0.000 1.007 610 T CB 1.421 70.292 68.868 0.004 0.000 1.253 610 T HN 0.039 nan 8.240 nan 0.000 0.511 611 A N -0.036 122.741 122.820 -0.073 0.000 2.234 611 A HA 0.511 4.831 4.320 -0.000 0.000 0.216 611 A C 1.450 179.105 177.584 0.117 0.000 1.167 611 A CA 1.300 53.342 52.037 0.009 0.000 0.698 611 A CB -1.387 17.654 19.000 0.069 0.000 0.779 611 A HN 2.142 nan 8.150 nan 0.000 0.475 612 G N -3.178 105.677 108.800 0.093 0.000 2.334 612 G HA2 0.445 4.405 3.960 -0.000 0.000 0.315 612 G HA3 0.445 4.405 3.960 -0.000 0.000 0.315 612 G C 0.133 175.110 174.900 0.128 0.000 1.284 612 G CA 0.025 45.192 45.100 0.111 0.000 0.985 612 G HN 1.742 nan 8.290 nan 0.000 0.504 613 S N -2.708 113.042 115.700 0.084 0.000 3.443 613 S HA 0.412 4.882 4.470 -0.000 0.000 0.635 613 S C 0.888 175.497 174.600 0.015 0.000 2.555 613 S CA 1.967 60.188 58.200 0.034 0.000 2.778 613 S CB -1.047 62.227 63.200 0.124 0.000 0.331 613 S HN 3.069 nan 8.310 nan 0.000 1.765 614 G N -1.081 107.610 108.800 -0.182 0.000 2.342 614 G HA2 0.450 4.410 3.960 -0.000 0.000 0.297 614 G HA3 0.450 4.410 3.960 -0.000 0.000 0.297 614 G C -0.173 173.846 174.900 -1.467 0.000 1.313 614 G CA 0.496 45.246 45.100 -0.584 0.000 0.830 614 G HN 0.575 nan 8.290 nan 0.000 0.506 615 Q N -0.420 118.576 119.800 -1.339 0.000 2.112 615 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 615 Q C 0.851 176.604 176.000 -0.412 0.000 0.987 615 Q CA 2.198 57.468 55.803 -0.888 0.000 0.858 615 Q CB -0.206 28.300 28.738 -0.385 0.000 0.905 615 Q HN 0.747 nan 8.270 nan 0.000 0.420 616 N N -2.037 116.483 118.700 -0.300 0.000 3.116 616 N HA 0.005 4.745 4.740 -0.000 0.000 0.244 616 N C 0.108 175.641 175.510 0.039 0.000 1.485 616 N CA -0.108 52.981 53.050 0.066 0.000 0.884 616 N CB -0.050 38.464 38.487 0.045 0.000 1.415 616 N HN -0.208 nan 8.380 nan 0.000 0.524 617 N N 0.408 119.297 118.700 0.315 0.000 2.091 617 N HA -0.215 4.525 4.740 -0.000 0.000 0.193 617 N C 1.109 176.632 175.510 0.022 0.000 1.021 617 N CA 1.566 54.732 53.050 0.193 0.000 0.862 617 N CB -0.549 38.047 38.487 0.183 0.000 1.018 617 N HN 0.593 nan 8.380 nan 0.000 0.429 618 L N -0.074 121.124 121.223 -0.042 0.000 1.994 618 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 618 L C 2.570 179.452 176.870 0.019 0.000 1.071 618 L CA 1.741 56.538 54.840 -0.072 0.000 0.745 618 L CB -1.085 40.932 42.059 -0.070 0.000 0.892 618 L HN 0.452 nan 8.230 nan 0.000 0.431 619 G N -1.016 107.764 108.800 -0.034 0.000 2.475 619 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 619 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 619 G C 1.628 176.509 174.900 -0.032 0.000 1.125 619 G CA 0.910 45.967 45.100 -0.071 0.000 0.755 619 G HN 0.245 nan 8.290 nan 0.000 0.565 620 V N 0.080 119.990 119.914 -0.007 0.000 2.255 620 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 620 V C 2.541 178.720 176.094 0.143 0.000 1.051 620 V CA 1.963 64.292 62.300 0.048 0.000 1.018 620 V CB -0.455 31.406 31.823 0.064 0.000 0.641 620 V HN 0.461 nan 8.190 nan 0.000 0.445 621 F N 0.295 120.235 119.950 -0.017 0.000 2.134 621 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 621 F C 2.386 178.188 175.800 0.002 0.000 1.097 621 F CA 1.816 59.822 58.000 0.011 0.000 1.264 621 F CB -0.247 38.763 39.000 0.016 0.000 1.001 621 F HN 0.253 nan 8.300 nan 0.000 0.479 622 E N 0.463 120.765 120.200 0.171 0.000 2.007 622 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 622 E C 1.688 178.324 176.600 0.061 0.000 0.999 622 E CA 1.668 58.117 56.400 0.081 0.000 0.811 622 E CB -0.394 29.333 29.700 0.044 0.000 0.762 622 E HN 0.298 nan 8.360 nan 0.000 0.450 623 D N 0.689 121.121 120.400 0.055 0.000 2.158 623 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 623 D C 1.507 177.836 176.300 0.048 0.000 0.995 623 D CA 1.510 55.542 54.000 0.053 0.000 0.846 623 D CB -0.244 40.597 40.800 0.068 0.000 0.941 623 D HN 0.239 nan 8.370 nan 0.000 0.456 624 A N -0.648 122.195 122.820 0.039 0.000 2.276 624 A HA 0.449 4.769 4.320 -0.000 0.000 0.212 624 A C 1.734 179.348 177.584 0.050 0.000 1.230 624 A CA 0.879 52.933 52.037 0.029 0.000 0.844 624 A CB -0.537 18.446 19.000 -0.027 0.000 0.860 624 A HN 0.265 nan 8.150 nan 0.000 0.486 625 G N -1.495 107.345 108.800 0.066 0.000 2.143 625 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.249 625 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.249 625 G C 0.057 174.980 174.900 0.038 0.000 0.981 625 G CA 0.518 45.673 45.100 0.091 0.000 0.665 625 G HN 0.460 nan 8.290 nan 0.000 0.528 626 L N -0.068 121.172 121.223 0.029 0.000 2.358 626 L HA 0.869 5.209 4.340 -0.000 0.000 0.268 626 L C 0.626 177.541 176.870 0.075 0.000 1.032 626 L CA -0.544 54.319 54.840 0.039 0.000 0.805 626 L CB 1.881 43.952 42.059 0.021 0.000 1.253 626 L HN 0.330 nan 8.230 nan 0.000 0.452 627 A N 1.666 124.530 122.820 0.073 0.000 2.401 627 A HA 0.840 5.160 4.320 -0.000 0.000 0.310 627 A C -1.565 176.083 177.584 0.107 0.000 1.075 627 A CA -0.413 51.658 52.037 0.058 0.000 0.746 627 A CB 1.774 20.753 19.000 -0.034 0.000 1.277 627 A HN 0.471 nan 8.150 nan 0.000 0.425 628 L N 0.777 122.038 121.223 0.063 0.000 2.455 628 L HA 0.828 5.168 4.340 -0.000 0.000 0.264 628 L C -0.702 176.148 176.870 -0.032 0.000 0.968 628 L CA 0.318 55.174 54.840 0.027 0.000 0.827 628 L CB 2.433 44.448 42.059 -0.073 0.000 1.317 628 L HN 0.656 nan 8.230 nan 0.000 0.407 629 T N 2.639 117.182 114.554 -0.018 0.000 2.921 629 T HA 0.722 5.072 4.350 -0.000 0.000 0.297 629 T C -0.831 173.865 174.700 -0.007 0.000 1.013 629 T CA -0.259 61.829 62.100 -0.020 0.000 0.990 629 T CB 1.390 70.257 68.868 -0.001 0.000 1.023 629 T HN 0.846 nan 8.240 nan 0.000 0.447 630 T N -0.799 113.742 114.554 -0.022 0.000 2.924 630 T HA 0.476 4.826 4.350 -0.000 0.000 0.291 630 T C 1.698 176.415 174.700 0.028 0.000 1.045 630 T CA -0.159 61.940 62.100 -0.001 0.000 1.015 630 T CB 1.516 70.347 68.868 -0.061 0.000 1.103 630 T HN 0.457 nan 8.240 nan 0.000 0.496 631 S N 0.613 116.360 115.700 0.079 0.000 2.407 631 S HA -0.196 4.274 4.470 -0.000 0.000 0.235 631 S C 1.668 176.293 174.600 0.041 0.000 1.036 631 S CA 1.743 60.005 58.200 0.103 0.000 1.013 631 S CB -1.612 61.700 63.200 0.188 0.000 0.820 631 S HN 1.209 nan 8.310 nan 0.000 0.476 632 T N -1.034 113.522 114.554 0.003 0.000 3.393 632 T HA 0.285 4.635 4.350 -0.000 0.000 0.248 632 T C 0.195 174.880 174.700 -0.026 0.000 0.992 632 T CA -0.224 61.864 62.100 -0.020 0.000 0.929 632 T CB -1.241 67.598 68.868 -0.048 0.000 1.065 632 T HN 0.320 nan 8.240 nan 0.000 0.597 633 N N 0.951 119.643 118.700 -0.015 0.000 2.702 633 N HA -0.145 4.595 4.740 -0.000 0.000 0.261 633 N C -0.701 174.788 175.510 -0.036 0.000 0.965 633 N CA 0.590 53.629 53.050 -0.019 0.000 0.795 633 N CB -1.267 37.214 38.487 -0.011 0.000 0.909 633 N HN 0.705 nan 8.380 nan 0.000 0.546 634 L N -0.341 120.850 121.223 -0.053 0.000 2.298 634 L HA 0.604 4.944 4.340 -0.000 0.000 0.284 634 L C -0.658 176.162 176.870 -0.083 0.000 1.013 634 L CA -0.625 54.171 54.840 -0.073 0.000 0.824 634 L CB 1.133 43.132 42.059 -0.100 0.000 1.221 634 L HN 0.061 nan 8.230 nan 0.000 0.418 635 N N 1.827 120.485 118.700 -0.071 0.000 2.321 635 N HA 0.488 5.228 4.740 -0.000 0.000 0.290 635 N C -0.868 174.605 175.510 -0.063 0.000 1.212 635 N CA -0.367 52.644 53.050 -0.065 0.000 0.767 635 N CB 1.861 40.322 38.487 -0.043 0.000 1.494 635 N HN 0.708 nan 8.380 nan 0.000 0.479 636 T N -1.267 113.255 114.554 -0.053 0.000 2.918 636 T HA 0.276 4.626 4.350 -0.000 0.000 0.302 636 T C 0.511 175.192 174.700 -0.031 0.000 1.045 636 T CA -0.421 61.660 62.100 -0.032 0.000 1.114 636 T CB 0.518 69.386 68.868 -0.000 0.000 0.965 636 T HN 0.156 nan 8.240 nan 0.000 0.540 637 K N 1.699 122.085 120.400 -0.023 0.000 2.542 637 K HA 0.002 4.322 4.320 -0.000 0.000 0.276 637 K C 0.792 177.372 176.600 -0.035 0.000 0.963 637 K CA 0.178 56.453 56.287 -0.021 0.000 0.975 637 K CB 0.167 32.661 32.500 -0.011 0.000 0.901 637 K HN 0.535 nan 8.250 nan 0.000 0.506 638 Q N 2.166 121.948 119.800 -0.031 0.000 2.271 638 Q HA -0.014 4.326 4.340 -0.000 0.000 0.273 638 Q C -0.329 175.631 176.000 -0.067 0.000 1.051 638 Q CA 0.174 55.945 55.803 -0.053 0.000 0.901 638 Q CB 0.739 29.470 28.738 -0.010 0.000 1.174 638 Q HN 0.291 nan 8.270 nan 0.000 0.385 639 R N 1.458 121.879 120.500 -0.132 0.000 2.442 639 R HA 0.061 4.401 4.340 -0.000 0.000 0.291 639 R C 0.663 176.887 176.300 -0.127 0.000 1.069 639 R CA 0.583 56.602 56.100 -0.135 0.000 1.022 639 R CB 0.387 30.566 30.300 -0.202 0.000 0.976 639 R HN 0.499 nan 8.270 nan 0.000 0.443 640 S N 2.082 117.757 115.700 -0.042 0.000 2.421 640 S HA 0.402 4.872 4.470 -0.000 0.000 0.224 640 S C -0.179 174.442 174.600 0.035 0.000 1.035 640 S CA 0.569 58.783 58.200 0.023 0.000 0.953 640 S CB 0.211 63.439 63.200 0.047 0.000 0.810 640 S HN 0.852 nan 8.310 nan 0.000 0.497 641 A N 0.051 122.877 122.820 0.011 0.000 2.440 641 A HA 0.608 4.928 4.320 -0.000 0.000 0.298 641 A C -0.725 176.913 177.584 0.089 0.000 0.955 641 A CA -0.522 51.539 52.037 0.039 0.000 0.581 641 A CB -0.563 18.489 19.000 0.088 0.000 1.424 641 A HN 0.619 nan 8.150 nan 0.000 0.484 642 A N 0.388 123.312 122.820 0.173 0.000 2.387 642 A HA 0.633 4.953 4.320 -0.000 0.000 0.251 642 A C 0.634 178.313 177.584 0.158 0.000 1.113 642 A CA 1.570 53.774 52.037 0.279 0.000 0.794 642 A CB -0.208 19.011 19.000 0.364 0.000 1.069 642 A HN 2.713 nan 8.150 nan 0.000 0.506 643 K N -2.087 118.390 120.400 0.129 0.000 3.761 643 K HA -0.089 4.231 4.320 -0.000 0.000 0.608 643 K C -1.239 175.404 176.600 0.072 0.000 2.573 643 K CA 0.534 56.866 56.287 0.076 0.000 1.978 643 K CB -1.762 30.778 32.500 0.066 0.000 2.706 643 K HN 1.054 nan 8.250 nan 0.000 0.171 644 c N 2.577 121.204 118.600 0.046 0.000 2.626 644 c HA 0.632 5.202 4.570 -0.000 0.000 0.310 644 c C -2.344 171.764 174.090 0.029 0.000 1.191 644 c CA -1.207 55.145 56.329 0.039 0.000 1.517 644 c CB 1.005 43.531 42.510 0.027 0.000 2.102 644 c HN 0.755 nan 8.230 nan 0.000 0.479 645 P HA 0.165 nan 4.420 nan 0.000 0.266 645 P C -0.487 176.823 177.300 0.018 0.000 1.215 645 P CA 0.413 63.528 63.100 0.026 0.000 0.763 645 P CB 0.534 32.251 31.700 0.029 0.000 0.806 737 D N -0.728 119.650 120.400 -0.037 0.000 3.028 737 D HA -0.197 4.443 4.640 -0.000 0.000 0.211 737 D C 0.878 177.052 176.300 -0.209 0.000 1.136 737 D CA 1.943 55.895 54.000 -0.079 0.000 0.987 737 D CB -1.057 39.702 40.800 -0.068 0.000 1.128 737 D HN 0.496 nan 8.370 nan 0.000 0.406 738 G N -1.860 106.648 108.800 -0.486 0.000 2.920 738 G HA2 0.322 4.282 3.960 -0.000 0.000 0.208 738 G HA3 0.322 4.282 3.960 -0.000 0.000 0.208 738 G C 0.439 174.858 174.900 -0.802 0.000 1.159 738 G CA 0.327 44.984 45.100 -0.739 0.000 0.784 738 G HN 0.306 nan 8.290 nan 0.000 0.535 739 F N -1.434 118.534 119.950 0.029 0.000 3.064 739 F HA 0.690 5.217 4.527 0.000 0.000 0.353 739 F C -0.220 175.593 175.800 0.022 0.000 1.393 739 F CA -1.584 56.438 58.000 0.037 0.000 1.080 739 F CB 0.420 39.458 39.000 0.064 0.000 1.619 739 F HN -0.271 nan 8.300 nan 0.000 0.465 740 I N 0.422 121.164 120.570 0.288 0.000 2.562 740 I HA 0.611 4.781 4.170 -0.000 0.000 0.301 740 I C -0.402 175.796 176.117 0.135 0.000 1.003 740 I CA -0.755 60.635 61.300 0.150 0.000 1.127 740 I CB 1.640 39.711 38.000 0.117 0.000 1.304 740 I HN 0.570 nan 8.210 nan 0.000 0.446 741 A N 4.538 127.413 122.820 0.091 0.000 2.451 741 A HA 0.099 4.419 4.320 -0.000 0.000 0.266 741 A C 1.306 178.932 177.584 0.070 0.000 1.119 741 A CA -0.073 52.010 52.037 0.077 0.000 0.786 741 A CB -0.122 18.910 19.000 0.054 0.000 1.061 741 A HN 0.904 nan 8.150 nan 0.000 0.503 742 D N 2.991 123.434 120.400 0.071 0.000 2.170 742 D HA -0.232 4.408 4.640 -0.000 0.000 0.193 742 D C 1.623 177.955 176.300 0.053 0.000 1.004 742 D CA 2.234 56.272 54.000 0.063 0.000 0.860 742 D CB 0.044 40.881 40.800 0.062 0.000 0.931 742 D HN 0.606 nan 8.370 nan 0.000 0.448 743 S N -0.004 115.725 115.700 0.048 0.000 2.419 743 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 743 S C 1.336 175.957 174.600 0.035 0.000 1.019 743 S CA 1.272 59.495 58.200 0.039 0.000 0.982 743 S CB -0.045 63.175 63.200 0.034 0.000 0.789 743 S HN 0.275 nan 8.310 nan 0.000 0.490 744 D N 0.432 120.855 120.400 0.039 0.000 2.366 744 D HA 0.296 4.936 4.640 -0.000 0.000 0.205 744 D C 0.393 176.718 176.300 0.041 0.000 1.022 744 D CA 0.004 54.025 54.000 0.035 0.000 0.868 744 D CB 0.108 40.928 40.800 0.033 0.000 0.953 744 D HN 0.369 nan 8.370 nan 0.000 0.514 745 I N 2.998 123.600 120.570 0.052 0.000 2.416 745 I HA 0.043 4.213 4.170 -0.000 0.000 0.288 745 I C -0.423 175.723 176.117 0.047 0.000 1.051 745 I CA -0.377 60.959 61.300 0.060 0.000 1.375 745 I CB 0.552 38.597 38.000 0.076 0.000 1.407 745 I HN -0.128 nan 8.210 nan 0.000 0.516 746 I N 4.956 125.550 120.570 0.040 0.000 2.382 746 I HA 0.364 4.534 4.170 -0.000 0.000 0.285 746 I C 0.083 176.214 176.117 0.024 0.000 1.007 746 I CA -0.482 60.833 61.300 0.025 0.000 1.142 746 I CB 0.614 38.619 38.000 0.009 0.000 1.289 746 I HN 0.381 nan 8.210 nan 0.000 0.453 747 S N 6.340 122.058 115.700 0.030 0.000 2.568 747 S HA 0.310 4.780 4.470 -0.000 0.000 0.282 747 S C 0.375 174.988 174.600 0.021 0.000 1.338 747 S CA -0.599 57.624 58.200 0.039 0.000 1.045 747 S CB 0.729 63.959 63.200 0.051 0.000 0.873 747 S HN 0.609 nan 8.310 nan 0.000 0.516 748 R N 1.229 121.751 120.500 0.037 0.000 2.389 748 R HA 0.288 4.628 4.340 -0.000 0.000 0.295 748 R C 0.678 177.016 176.300 0.062 0.000 1.075 748 R CA 0.108 56.189 56.100 -0.031 0.000 1.005 748 R CB 0.682 30.961 30.300 -0.035 0.000 0.987 748 R HN 0.943 nan 8.270 nan 0.000 0.452 749 S N -0.458 115.154 115.700 -0.147 0.000 2.744 749 S HA 0.033 4.503 4.470 -0.000 0.000 0.265 749 S C -0.171 174.389 174.600 -0.066 0.000 1.065 749 S CA -0.479 57.759 58.200 0.063 0.000 1.191 749 S CB 0.563 63.773 63.200 0.017 0.000 1.150 749 S HN 0.530 nan 8.310 nan 0.000 0.646 750 D N 0.799 120.837 120.400 -0.604 0.000 2.471 750 D HA 0.494 5.134 4.640 -0.000 0.000 0.245 750 D C -1.731 174.132 176.300 -0.728 0.000 1.116 750 D CA -0.558 53.170 54.000 -0.452 0.000 0.853 750 D CB 0.707 41.314 40.800 -0.321 0.000 1.123 750 D HN 0.241 nan 8.370 nan 0.000 0.540 751 F N 4.767 124.699 119.950 -0.030 0.000 2.809 751 F HA 0.322 4.849 4.527 -0.000 0.000 0.369 751 F C -1.807 174.024 175.800 0.052 0.000 1.225 751 F CA -1.311 56.706 58.000 0.028 0.000 1.201 751 F CB 1.235 40.240 39.000 0.008 0.000 1.527 751 F HN 0.074 nan 8.300 nan 0.000 0.565 752 P HA 0.379 nan 4.420 nan 0.000 0.307 752 P C -0.205 177.289 177.300 0.322 0.000 1.306 752 P CA -0.313 62.895 63.100 0.180 0.000 0.742 752 P CB 1.626 33.375 31.700 0.081 0.000 1.349 753 K N -1.432 119.133 120.400 0.276 0.000 2.464 753 K HA 0.208 4.528 4.320 -0.000 0.000 0.206 753 K C 0.001 176.814 176.600 0.354 0.000 1.186 753 K CA 0.075 56.541 56.287 0.298 0.000 0.990 753 K CB 0.542 33.104 32.500 0.102 0.000 1.003 753 K HN 0.507 nan 8.250 nan 0.000 0.562 754 S N 0.560 116.448 115.700 0.312 0.000 2.626 754 S HA 0.538 5.008 4.470 -0.000 0.000 0.275 754 S C -1.266 173.514 174.600 0.300 0.000 1.175 754 S CA -1.159 57.197 58.200 0.259 0.000 0.982 754 S CB 0.712 63.993 63.200 0.136 0.000 1.093 754 S HN 0.328 nan 8.310 nan 0.000 0.472 755 W N 1.775 123.051 121.300 -0.040 0.000 3.163 755 W HA 0.730 5.390 4.660 -0.000 0.000 0.395 755 W C -0.380 176.135 176.519 -0.007 0.000 1.100 755 W CA -1.359 55.958 57.345 -0.047 0.000 1.134 755 W CB -0.396 28.965 29.460 -0.164 0.000 1.496 755 W HN 1.198 nan 8.180 nan 0.000 0.605 756 L N 1.889 123.197 121.223 0.142 0.000 3.677 756 L HA -0.211 4.129 4.340 -0.000 0.000 0.464 756 L C -0.425 176.393 176.870 -0.088 0.000 1.278 756 L CA -0.050 54.719 54.840 -0.117 0.000 0.806 756 L CB -1.493 40.163 42.059 -0.672 0.000 1.610 756 L HN 0.573 nan 8.230 nan 0.000 0.867 757 W N 4.105 125.339 121.300 -0.109 0.000 2.422 757 W HA 0.514 5.174 4.660 -0.000 0.000 0.349 757 W C -0.810 175.651 176.519 -0.097 0.000 1.062 757 W CA -0.645 56.634 57.345 -0.109 0.000 1.497 757 W CB 0.337 29.746 29.460 -0.085 0.000 1.407 757 W HN 0.267 nan 8.180 nan 0.000 0.393 758 L N 4.025 125.097 121.223 -0.251 0.000 2.301 758 L HA 0.504 4.844 4.340 -0.000 0.000 0.264 758 L C 0.119 176.846 176.870 -0.238 0.000 1.016 758 L CA -0.729 54.008 54.840 -0.171 0.000 0.821 758 L CB 2.638 44.609 42.059 -0.148 0.000 1.346 758 L HN -0.062 nan 8.230 nan 0.000 0.429 759 T N 1.687 116.169 114.554 -0.119 0.000 3.068 759 T HA 0.298 4.648 4.350 -0.000 0.000 0.364 759 T C -0.433 174.246 174.700 -0.035 0.000 1.161 759 T CA -0.674 61.379 62.100 -0.079 0.000 1.155 759 T CB 0.431 69.282 68.868 -0.029 0.000 1.060 759 T HN 0.267 nan 8.240 nan 0.000 0.513 760 K N 2.163 122.528 120.400 -0.057 0.000 2.098 760 K HA 0.418 4.738 4.320 -0.000 0.000 0.261 760 K C -0.582 176.009 176.600 -0.014 0.000 0.987 760 K CA -0.753 55.511 56.287 -0.038 0.000 0.916 760 K CB 1.239 33.698 32.500 -0.068 0.000 1.039 760 K HN 0.411 nan 8.250 nan 0.000 0.455 761 D N 2.240 122.639 120.400 -0.001 0.000 2.408 761 D HA 0.195 4.835 4.640 -0.000 0.000 0.243 761 D C -0.365 175.938 176.300 0.004 0.000 1.075 761 D CA -0.589 53.419 54.000 0.012 0.000 0.832 761 D CB 1.358 42.173 40.800 0.026 0.000 1.162 761 D HN 0.127 nan 8.370 nan 0.000 0.515 762 L N 2.860 124.085 121.223 0.003 0.000 2.416 762 L HA 0.105 4.445 4.340 -0.000 0.000 0.243 762 L C 0.794 177.665 176.870 0.003 0.000 1.373 762 L CA 0.094 54.932 54.840 -0.004 0.000 1.227 762 L CB -0.792 41.261 42.059 -0.009 0.000 1.428 762 L HN 0.233 nan 8.230 nan 0.000 0.425 763 T N -0.574 113.982 114.554 0.004 0.000 2.747 763 T HA 0.640 4.990 4.350 -0.000 0.000 0.301 763 T C -0.240 174.462 174.700 0.003 0.000 0.952 763 T CA -0.681 61.422 62.100 0.006 0.000 0.983 763 T CB 0.292 69.165 68.868 0.009 0.000 0.930 763 T HN 0.570 nan 8.240 nan 0.000 0.494 764 E N 1.096 121.297 120.200 0.002 0.000 3.127 764 E HA 0.158 4.508 4.350 -0.000 0.000 0.338 764 E C -1.517 175.083 176.600 0.000 0.000 1.049 764 E CA -1.046 55.354 56.400 0.000 0.000 0.864 764 E CB 0.192 29.891 29.700 -0.002 0.000 1.247 764 E HN 0.463 nan 8.360 nan 0.000 0.452 765 E N 3.293 123.494 120.200 0.001 0.000 2.608 765 E HA 0.044 4.394 4.350 -0.000 0.000 0.259 765 E C -2.101 174.498 176.600 -0.001 0.000 0.951 765 E CA -0.275 56.126 56.400 0.001 0.000 0.945 765 E CB -0.106 29.595 29.700 0.001 0.000 0.916 765 E HN 0.290 nan 8.360 nan 0.000 0.477 766 P HA 0.021 nan 4.420 nan 0.000 0.275 766 P C -0.625 176.673 177.300 -0.004 0.000 1.266 766 P CA -0.536 62.562 63.100 -0.004 0.000 0.793 766 P CB 0.570 32.267 31.700 -0.004 0.000 1.074 767 N N -1.516 117.181 118.700 -0.005 0.000 2.566 767 N HA 0.108 4.848 4.740 -0.000 0.000 0.299 767 N C 0.771 176.279 175.510 -0.004 0.000 1.277 767 N CA -0.487 52.560 53.050 -0.005 0.000 0.965 767 N CB -0.694 37.789 38.487 -0.006 0.000 1.142 767 N HN 0.123 nan 8.380 nan 0.000 0.596 768 S N -0.892 114.806 115.700 -0.004 0.000 2.402 768 S HA -0.188 4.282 4.470 -0.000 0.000 0.233 768 S C 1.394 175.992 174.600 -0.004 0.000 1.030 768 S CA 1.284 59.483 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 0.620 nan 8.310 nan 0.000 0.477 769 Q N 0.455 120.252 119.800 -0.005 0.000 2.432 769 Q HA 0.172 4.512 4.340 -0.000 0.000 0.205 769 Q C 1.391 177.387 176.000 -0.007 0.000 0.945 769 Q CA 0.768 56.567 55.803 -0.006 0.000 0.924 769 Q CB -0.411 28.321 28.738 -0.009 0.000 1.016 769 Q HN 0.602 nan 8.270 nan 0.000 0.503 770 G N -0.331 108.465 108.800 -0.006 0.000 2.157 770 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 770 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 770 G C 0.001 174.895 174.900 -0.010 0.000 0.979 770 G CA 0.214 45.310 45.100 -0.006 0.000 0.650 770 G HN 0.246 nan 8.290 nan 0.000 0.529 771 I N 1.235 121.797 120.570 -0.012 0.000 2.440 771 I HA 0.537 4.707 4.170 -0.000 0.000 0.294 771 I C 0.608 176.717 176.117 -0.014 0.000 0.995 771 I CA -0.417 60.873 61.300 -0.016 0.000 1.306 771 I CB 1.407 39.395 38.000 -0.019 0.000 1.407 771 I HN 0.032 nan 8.210 nan 0.000 0.501 772 S N 3.229 118.919 115.700 -0.016 0.000 2.475 772 S HA 0.379 4.849 4.470 -0.000 0.000 0.298 772 S C 0.011 174.600 174.600 -0.020 0.000 1.119 772 S CA -0.412 57.779 58.200 -0.015 0.000 1.085 772 S CB 1.403 64.596 63.200 -0.012 0.000 1.028 772 S HN 0.617 nan 8.310 nan 0.000 0.489 773 S N 2.358 118.047 115.700 -0.017 0.000 2.667 773 S HA 0.369 4.839 4.470 -0.000 0.000 0.304 773 S C -0.718 173.871 174.600 -0.018 0.000 1.135 773 S CA -0.757 57.431 58.200 -0.021 0.000 1.125 773 S CB 0.051 63.240 63.200 -0.018 0.000 0.996 773 S HN 0.612 nan 8.310 nan 0.000 0.474 774 K N 3.900 124.285 120.400 -0.025 0.000 2.292 774 K HA 0.420 4.740 4.320 -0.000 0.000 0.270 774 K C 0.020 176.603 176.600 -0.028 0.000 1.062 774 K CA -0.317 55.956 56.287 -0.024 0.000 0.916 774 K CB 0.493 32.976 32.500 -0.029 0.000 1.166 774 K HN 0.471 nan 8.250 nan 0.000 0.458 775 T N 3.589 118.134 114.554 -0.015 0.000 2.766 775 T HA 0.279 4.629 4.350 -0.000 0.000 0.295 775 T C -0.138 174.553 174.700 -0.016 0.000 1.024 775 T CA -0.404 61.691 62.100 -0.007 0.000 1.018 775 T CB 0.558 69.434 68.868 0.013 0.000 1.002 775 T HN 0.718 nan 8.240 nan 0.000 0.532 776 M N 1.753 121.349 119.600 -0.007 0.000 2.255 776 M HA 0.423 4.903 4.480 -0.000 0.000 0.275 776 M C -1.068 175.267 176.300 0.058 0.000 1.050 776 M CA -0.317 54.961 55.300 -0.037 0.000 0.978 776 M CB 1.956 34.461 32.600 -0.158 0.000 1.761 776 M HN 0.587 nan 8.290 nan 0.000 0.479 777 S N 5.628 121.391 115.700 0.105 0.000 2.472 777 S HA 0.967 5.437 4.470 -0.000 0.000 0.303 777 S C -1.180 173.636 174.600 0.360 0.000 1.099 777 S CA -0.428 57.920 58.200 0.246 0.000 1.077 777 S CB 0.657 63.941 63.200 0.140 0.000 1.031 777 S HN 0.724 nan 8.310 nan 0.000 0.487 778 F N 1.427 121.409 119.950 0.054 0.000 2.744 778 F HA 0.498 5.025 4.527 -0.000 0.000 0.311 778 F C -2.055 173.902 175.800 0.262 0.000 1.144 778 F CA -1.509 56.519 58.000 0.046 0.000 0.938 778 F CB 0.883 39.933 39.000 0.082 0.000 1.292 778 F HN 0.470 nan 8.300 nan 0.000 0.444 779 Y N 3.213 123.458 120.300 -0.093 0.000 2.326 779 Y HA 0.341 4.891 4.550 0.000 0.000 0.337 779 Y C 0.501 176.172 175.900 -0.382 0.000 1.023 779 Y CA -1.391 56.560 58.100 -0.247 0.000 1.143 779 Y CB 1.395 39.770 38.460 -0.142 0.000 1.183 779 Y HN 0.364 nan 8.280 nan 0.000 0.485 780 L N 3.721 124.785 121.223 -0.265 0.000 2.394 780 L HA 0.122 4.462 4.340 -0.000 0.000 0.229 780 L C 0.347 176.920 176.870 -0.496 0.000 1.225 780 L CA 0.484 55.132 54.840 -0.319 0.000 0.829 780 L CB 0.199 42.173 42.059 -0.142 0.000 1.195 780 L HN 0.701 nan 8.230 nan 0.000 0.548 781 R N 0.143 120.353 120.500 -0.485 0.000 2.902 781 R HA 0.215 4.554 4.340 -0.000 0.000 0.258 781 R C 0.393 176.554 176.300 -0.231 0.000 1.071 781 R CA -0.759 55.047 56.100 -0.491 0.000 1.024 781 R CB 0.358 30.202 30.300 -0.760 0.000 1.184 781 R HN 0.409 nan 8.270 nan 0.000 0.492 782 D N 0.079 120.253 120.400 -0.376 0.000 2.378 782 D HA -0.024 4.616 4.640 -0.000 0.000 0.222 782 D C -0.031 176.031 176.300 -0.397 0.000 0.980 782 D CA 0.842 54.580 54.000 -0.437 0.000 0.907 782 D CB 0.223 40.626 40.800 -0.662 0.000 0.899 782 D HN 0.185 nan 8.370 nan 0.000 0.527 783 S N -0.068 115.515 115.700 -0.195 0.000 2.549 783 S HA 0.076 4.546 4.470 -0.000 0.000 0.286 783 S C 1.347 175.869 174.600 -0.130 0.000 1.314 783 S CA -0.409 57.771 58.200 -0.033 0.000 1.062 783 S CB 0.408 63.671 63.200 0.106 0.000 0.865 783 S HN 0.156 nan 8.310 nan 0.000 0.498 784 I N 1.934 122.400 120.570 -0.174 0.000 3.826 784 I HA 0.241 4.411 4.170 -0.000 0.000 0.319 784 I C 0.889 176.819 176.117 -0.312 0.000 1.394 784 I CA -0.266 60.825 61.300 -0.347 0.000 1.197 784 I CB -0.507 37.120 38.000 -0.621 0.000 1.096 784 I HN 0.360 nan 8.210 nan 0.000 0.409 785 T N -0.294 114.059 114.554 -0.334 0.000 2.708 785 T HA 0.410 4.760 4.350 -0.000 0.000 0.256 785 T C 0.048 174.524 174.700 -0.372 0.000 0.946 785 T CA -0.283 61.631 62.100 -0.309 0.000 1.039 785 T CB 1.682 70.299 68.868 -0.417 0.000 1.557 785 T HN 0.141 nan 8.240 nan 0.000 0.576 786 T N 2.019 116.368 114.554 -0.341 0.000 2.821 786 T HA 0.400 4.750 4.350 -0.000 0.000 0.307 786 T C -0.806 173.750 174.700 -0.240 0.000 1.034 786 T CA -0.291 61.676 62.100 -0.223 0.000 0.953 786 T CB -0.188 68.646 68.868 -0.056 0.000 0.968 786 T HN 0.422 nan 8.240 nan 0.000 0.462 787 W N 2.190 123.541 121.300 0.086 0.000 2.137 787 W HA 0.469 5.129 4.660 -0.000 0.000 0.344 787 W C -0.013 176.508 176.519 0.003 0.000 1.286 787 W CA -0.759 56.639 57.345 0.089 0.000 1.240 787 W CB 0.575 30.129 29.460 0.157 0.000 1.141 787 W HN 0.214 nan 8.180 nan 0.000 0.579 788 V N 3.566 123.650 119.914 0.284 0.000 2.447 788 V HA 0.177 4.297 4.120 -0.000 0.000 0.292 788 V C -0.433 175.632 176.094 -0.050 0.000 1.021 788 V CA -1.031 61.324 62.300 0.091 0.000 0.850 788 V CB 1.303 33.202 31.823 0.126 0.000 1.005 788 V HN 0.332 nan 8.190 nan 0.000 0.426 789 V N 5.557 125.409 119.914 -0.103 0.000 2.432 789 V HA 0.515 4.635 4.120 -0.000 0.000 0.271 789 V C -0.324 175.692 176.094 -0.130 0.000 1.046 789 V CA -0.578 61.626 62.300 -0.160 0.000 0.945 789 V CB 1.031 32.761 31.823 -0.154 0.000 0.992 789 V HN 0.535 nan 8.190 nan 0.000 0.471 790 L N 4.826 125.935 121.223 -0.191 0.000 2.305 790 L HA 0.792 5.132 4.340 -0.000 0.000 0.284 790 L C 0.381 177.148 176.870 -0.172 0.000 1.013 790 L CA -0.114 54.622 54.840 -0.173 0.000 0.819 790 L CB 1.475 43.406 42.059 -0.214 0.000 1.227 790 L HN 0.875 nan 8.230 nan 0.000 0.417 791 A N 3.904 126.644 122.820 -0.134 0.000 2.317 791 A HA 0.861 5.181 4.320 -0.000 0.000 0.327 791 A C -0.844 176.660 177.584 -0.133 0.000 1.178 791 A CA -0.530 51.422 52.037 -0.142 0.000 0.817 791 A CB 1.261 20.189 19.000 -0.121 0.000 1.189 791 A HN 0.398 nan 8.150 nan 0.000 0.489 792 V N 1.882 121.719 119.914 -0.129 0.000 2.628 792 V HA 0.703 4.823 4.120 -0.000 0.000 0.306 792 V C 0.227 176.197 176.094 -0.208 0.000 1.045 792 V CA -0.209 61.972 62.300 -0.198 0.000 0.905 792 V CB 2.052 33.735 31.823 -0.232 0.000 0.997 792 V HN 1.113 nan 8.190 nan 0.000 0.436 793 S N 4.761 120.303 115.700 -0.263 0.000 2.502 793 S HA 0.743 5.213 4.470 -0.000 0.000 0.304 793 S C -1.183 173.316 174.600 -0.168 0.000 1.097 793 S CA -0.493 57.614 58.200 -0.154 0.000 1.045 793 S CB 1.356 64.490 63.200 -0.109 0.000 1.019 793 S HN 0.598 nan 8.310 nan 0.000 0.481 794 F N 2.837 122.685 119.950 -0.169 0.000 2.469 794 F HA 0.717 5.244 4.527 -0.000 0.000 0.332 794 F C -0.320 175.453 175.800 -0.044 0.000 1.103 794 F CA -0.066 57.870 58.000 -0.107 0.000 0.979 794 F CB 2.012 41.023 39.000 0.019 0.000 1.137 794 F HN 0.717 nan 8.300 nan 0.000 0.463 795 T N 6.113 120.497 114.554 -0.283 0.000 2.906 795 T HA 0.314 4.664 4.350 -0.000 0.000 0.295 795 T C -2.235 172.364 174.700 -0.168 0.000 1.075 795 T CA -1.295 60.763 62.100 -0.070 0.000 1.005 795 T CB 2.068 70.863 68.868 -0.122 0.000 1.136 795 T HN 0.277 nan 8.240 nan 0.000 0.498 796 P HA -0.100 nan 4.420 nan 0.000 0.213 796 P C 1.748 179.007 177.300 -0.067 0.000 1.170 796 P CA 1.463 64.608 63.100 0.075 0.000 0.893 796 P CB -0.173 31.577 31.700 0.084 0.000 0.784 797 T N -2.116 112.400 114.554 -0.064 0.000 2.706 797 T HA 0.002 4.352 4.350 -0.000 0.000 0.255 797 T C 1.710 176.343 174.700 -0.112 0.000 1.048 797 T CA 0.742 62.802 62.100 -0.066 0.000 1.153 797 T CB -0.936 67.913 68.868 -0.031 0.000 0.865 797 T HN -0.092 nan 8.240 nan 0.000 0.414 798 K N 1.918 122.247 120.400 -0.120 0.000 2.360 798 K HA 0.135 4.455 4.320 -0.000 0.000 0.201 798 K C 1.867 178.341 176.600 -0.211 0.000 1.046 798 K CA 0.843 57.057 56.287 -0.121 0.000 0.945 798 K CB -1.148 31.291 32.500 -0.102 0.000 0.750 798 K HN 0.689 nan 8.250 nan 0.000 0.464 799 G N 1.735 110.302 108.800 -0.389 0.000 2.556 799 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.283 799 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.283 799 G C 0.206 174.719 174.900 -0.646 0.000 1.177 799 G CA 0.128 44.831 45.100 -0.661 0.000 0.978 799 G HN 0.266 nan 8.290 nan 0.000 0.554 800 I N 0.314 120.605 120.570 -0.465 0.000 2.713 800 I HA 0.540 4.710 4.170 -0.000 0.000 0.300 800 I C 0.261 176.163 176.117 -0.359 0.000 1.009 800 I CA 0.035 61.092 61.300 -0.404 0.000 1.305 800 I CB 1.544 39.363 38.000 -0.302 0.000 1.430 800 I HN 0.877 nan 8.210 nan 0.000 0.546 801 c N 5.912 124.295 118.600 -0.363 0.000 2.928 801 c HA 0.349 4.919 4.570 -0.000 0.000 0.396 801 c C -0.804 173.122 174.090 -0.273 0.000 1.052 801 c CA -0.548 55.612 56.329 -0.283 0.000 1.251 801 c CB 0.022 42.413 42.510 -0.198 0.000 1.684 801 c HN 0.490 nan 8.230 nan 0.000 0.501 802 V N 6.479 126.239 119.914 -0.257 0.000 2.530 802 V HA 0.584 4.704 4.120 -0.000 0.000 0.282 802 V C 1.198 177.210 176.094 -0.136 0.000 1.048 802 V CA 0.962 63.142 62.300 -0.200 0.000 0.997 802 V CB 1.331 33.040 31.823 -0.189 0.000 0.987 802 V HN 1.131 nan 8.190 nan 0.000 0.477 803 A N 4.963 127.715 122.820 -0.114 0.000 2.251 803 A HA 0.512 4.832 4.320 -0.000 0.000 0.278 803 A C 0.217 177.775 177.584 -0.044 0.000 1.206 803 A CA -0.273 51.716 52.037 -0.080 0.000 0.822 803 A CB 0.237 19.190 19.000 -0.079 0.000 1.187 803 A HN 0.706 nan 8.150 nan 0.000 0.504 804 E N 0.746 120.931 120.200 -0.025 0.000 2.044 804 E HA 0.397 4.747 4.350 -0.000 0.000 0.282 804 E C -2.453 174.172 176.600 0.041 0.000 1.031 804 E CA -2.508 53.897 56.400 0.007 0.000 0.824 804 E CB 0.133 29.834 29.700 0.001 0.000 1.076 804 E HN 0.206 nan 8.360 nan 0.000 0.395 805 P HA -0.148 nan 4.420 nan 0.000 0.255 805 P C -1.079 176.325 177.300 0.173 0.000 1.161 805 P CA 0.479 63.633 63.100 0.090 0.000 0.768 805 P CB -0.177 31.614 31.700 0.153 0.000 0.746 806 Y N 3.548 123.854 120.300 0.011 0.000 2.335 806 Y HA 0.292 4.842 4.550 -0.000 0.000 0.339 806 Y C 0.178 176.123 175.900 0.075 0.000 0.987 806 Y CA -1.694 56.427 58.100 0.035 0.000 1.140 806 Y CB 0.730 39.197 38.460 0.012 0.000 1.173 806 Y HN 0.336 nan 8.280 nan 0.000 0.486 807 E N 6.811 127.167 120.200 0.260 0.000 2.194 807 E HA 0.308 4.658 4.350 -0.000 0.000 0.284 807 E C -0.807 175.686 176.600 -0.179 0.000 1.035 807 E CA -0.247 56.176 56.400 0.039 0.000 0.836 807 E CB 1.028 30.812 29.700 0.141 0.000 1.070 807 E HN 0.622 nan 8.360 nan 0.000 0.401 808 I N 3.852 124.287 120.570 -0.224 0.000 2.339 808 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 808 I C -0.241 175.924 176.117 0.079 0.000 0.994 808 I CA -0.553 60.678 61.300 -0.115 0.000 1.191 808 I CB 1.089 39.045 38.000 -0.073 0.000 1.343 808 I HN 0.320 nan 8.210 nan 0.000 0.458 809 R N 6.721 127.272 120.500 0.085 0.000 2.337 809 R HA 0.559 4.899 4.340 -0.000 0.000 0.319 809 R C -1.560 174.775 176.300 0.058 0.000 0.954 809 R CA -0.452 55.686 56.100 0.063 0.000 0.840 809 R CB 1.395 31.738 30.300 0.071 0.000 1.164 809 R HN 0.406 nan 8.270 nan 0.000 0.472 810 V N 5.558 125.480 119.914 0.013 0.000 2.863 810 V HA 0.611 4.731 4.120 -0.000 0.000 0.307 810 V C 0.087 176.150 176.094 -0.051 0.000 1.061 810 V CA -0.518 61.782 62.300 -0.000 0.000 1.024 810 V CB 1.651 33.474 31.823 0.000 0.000 1.049 810 V HN 0.958 nan 8.190 nan 0.000 0.471 811 M N 3.807 123.369 119.600 -0.063 0.000 2.751 811 M HA 0.382 4.862 4.480 -0.000 0.000 0.276 811 M C -1.930 174.338 176.300 -0.053 0.000 1.002 811 M CA -0.512 54.719 55.300 -0.115 0.000 0.828 811 M CB 1.436 34.020 32.600 -0.026 0.000 1.752 811 M HN 0.730 nan 8.290 nan 0.000 0.556 812 K N 2.187 122.556 120.400 -0.051 0.000 2.378 812 K HA 0.718 5.038 4.320 -0.000 0.000 0.244 812 K C -0.184 176.511 176.600 0.157 0.000 1.039 812 K CA -0.718 55.614 56.287 0.076 0.000 0.863 812 K CB 1.775 34.330 32.500 0.092 0.000 1.326 812 K HN 0.496 nan 8.250 nan 0.000 0.460 813 V N -1.003 118.971 119.914 0.099 0.000 2.871 813 V HA 0.096 4.216 4.120 -0.000 0.000 0.256 813 V C 0.195 176.235 176.094 -0.091 0.000 1.082 813 V CA 0.680 62.958 62.300 -0.037 0.000 1.105 813 V CB -0.933 30.752 31.823 -0.231 0.000 0.713 813 V HN 0.632 nan 8.190 nan 0.000 0.473 814 F N 2.217 122.060 119.950 -0.177 0.000 2.573 814 F HA 0.693 5.220 4.527 0.000 0.000 0.316 814 F C -0.910 174.856 175.800 -0.056 0.000 1.148 814 F CA -2.398 55.454 58.000 -0.246 0.000 0.940 814 F CB 1.845 40.770 39.000 -0.126 0.000 1.214 814 F HN 0.079 nan 8.300 nan 0.000 0.448 815 F N 4.512 124.045 119.950 -0.694 0.000 3.122 815 F HA 0.746 5.273 4.527 -0.000 0.000 0.325 815 F C -2.046 173.479 175.800 -0.459 0.000 1.162 815 F CA -1.981 55.696 58.000 -0.538 0.000 0.876 815 F CB 0.827 39.625 39.000 -0.335 0.000 1.429 815 F HN 0.277 nan 8.300 nan 0.000 0.484 816 I N 0.680 121.345 120.570 0.158 0.000 2.474 816 I HA 0.586 4.756 4.170 -0.000 0.000 0.294 816 I C -1.494 174.764 176.117 0.235 0.000 1.005 816 I CA -0.677 60.678 61.300 0.092 0.000 1.113 816 I CB 1.682 39.666 38.000 -0.027 0.000 1.289 816 I HN 0.389 nan 8.210 nan 0.000 0.436 817 D N 4.685 125.224 120.400 0.232 0.000 2.217 817 D HA 0.422 5.062 4.640 -0.000 0.000 0.243 817 D C -0.769 175.574 176.300 0.072 0.000 1.054 817 D CA -0.193 53.928 54.000 0.202 0.000 0.838 817 D CB 2.318 43.342 40.800 0.373 0.000 1.162 817 D HN 0.369 nan 8.370 nan 0.000 0.472 818 L N 4.086 125.304 121.223 -0.009 0.000 2.935 818 L HA 0.198 4.538 4.340 -0.000 0.000 0.243 818 L C -0.418 176.419 176.870 -0.054 0.000 1.313 818 L CA -0.517 54.282 54.840 -0.070 0.000 0.969 818 L CB -0.081 41.892 42.059 -0.145 0.000 1.320 818 L HN 0.277 nan 8.230 nan 0.000 0.511 819 Q N 2.250 122.055 119.800 0.007 0.000 2.388 819 Q HA -0.026 4.314 4.340 -0.000 0.000 0.302 819 Q C -0.292 175.708 176.000 0.000 0.000 1.149 819 Q CA 0.924 56.739 55.803 0.020 0.000 1.014 819 Q CB -0.013 28.763 28.738 0.063 0.000 1.072 819 Q HN 0.628 nan 8.270 nan 0.000 0.395 820 M N 3.996 123.586 119.600 -0.015 0.000 2.213 820 M HA 0.370 4.850 4.480 -0.000 0.000 0.286 820 M C -2.512 173.800 176.300 0.021 0.000 1.008 820 M CA -1.854 53.438 55.300 -0.014 0.000 0.937 820 M CB 1.875 34.442 32.600 -0.054 0.000 1.600 820 M HN 0.206 nan 8.290 nan 0.000 0.450 821 P HA -0.123 nan 4.420 nan 0.000 0.273 821 P C -0.415 176.983 177.300 0.165 0.000 1.237 821 P CA 0.052 63.210 63.100 0.097 0.000 0.813 821 P CB 0.247 31.990 31.700 0.072 0.000 0.930 822 Y N 0.339 120.660 120.300 0.035 0.000 2.243 822 Y HA 0.043 4.593 4.550 -0.000 0.000 0.293 822 Y C 0.807 176.721 175.900 0.023 0.000 1.124 822 Y CA 1.280 59.400 58.100 0.033 0.000 1.159 822 Y CB -0.296 38.195 38.460 0.052 0.000 1.008 822 Y HN 0.389 nan 8.280 nan 0.000 0.527 823 S N -0.482 115.203 115.700 -0.026 0.000 2.541 823 S HA 0.654 5.124 4.470 -0.000 0.000 0.271 823 S C -1.313 173.259 174.600 -0.047 0.000 1.133 823 S CA -0.508 57.598 58.200 -0.156 0.000 0.876 823 S CB 1.852 64.850 63.200 -0.338 0.000 1.105 823 S HN 0.133 nan 8.310 nan 0.000 0.470 824 V N 1.289 121.182 119.914 -0.034 0.000 3.156 824 V HA 0.891 5.011 4.120 -0.000 0.000 0.311 824 V C -1.361 174.731 176.094 -0.003 0.000 1.208 824 V CA -0.647 61.649 62.300 -0.007 0.000 1.063 824 V CB 2.128 33.953 31.823 0.002 0.000 1.098 824 V HN 1.015 nan 8.190 nan 0.000 0.452 825 V N 1.968 121.889 119.914 0.013 0.000 2.914 825 V HA 0.464 4.584 4.120 -0.000 0.000 0.314 825 V C -0.113 176.003 176.094 0.036 0.000 1.084 825 V CA -1.086 61.224 62.300 0.017 0.000 0.963 825 V CB 1.934 33.762 31.823 0.009 0.000 1.025 825 V HN 0.898 nan 8.190 nan 0.000 0.432 826 K N 3.592 124.016 120.400 0.039 0.000 2.440 826 K HA -0.064 4.256 4.320 -0.000 0.000 0.275 826 K C 0.391 177.015 176.600 0.040 0.000 1.082 826 K CA 0.816 57.131 56.287 0.047 0.000 1.135 826 K CB -0.197 32.326 32.500 0.039 0.000 0.864 826 K HN 0.782 nan 8.250 nan 0.000 0.479 827 N N 1.777 120.504 118.700 0.045 0.000 2.882 827 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 827 N C -1.182 174.353 175.510 0.041 0.000 1.079 827 N CA 1.102 54.175 53.050 0.039 0.000 0.800 827 N CB -1.176 37.331 38.487 0.032 0.000 1.124 827 N HN 0.705 nan 8.380 nan 0.000 0.557 828 E N 0.431 120.657 120.200 0.042 0.000 2.319 828 E HA 0.242 4.592 4.350 -0.000 0.000 0.268 828 E C 0.204 176.840 176.600 0.061 0.000 1.050 828 E CA -0.409 56.022 56.400 0.052 0.000 0.878 828 E CB 1.068 30.796 29.700 0.046 0.000 1.066 828 E HN 0.019 nan 8.360 nan 0.000 0.406 829 Q N 2.142 122.006 119.800 0.107 0.000 2.331 829 Q HA 0.313 4.653 4.340 -0.000 0.000 0.257 829 Q C -1.157 174.995 176.000 0.254 0.000 0.957 829 Q CA -0.315 55.576 55.803 0.147 0.000 0.923 829 Q CB 1.636 30.508 28.738 0.224 0.000 1.212 829 Q HN 0.407 nan 8.270 nan 0.000 0.443 830 V N 2.738 122.749 119.914 0.162 0.000 2.925 830 V HA 0.502 4.622 4.120 -0.000 0.000 0.311 830 V C -1.143 175.065 176.094 0.189 0.000 1.104 830 V CA -0.782 61.639 62.300 0.201 0.000 0.954 830 V CB 2.224 34.091 31.823 0.073 0.000 1.022 830 V HN 0.830 nan 8.190 nan 0.000 0.427 831 E N 4.834 125.196 120.200 0.270 0.000 2.197 831 E HA 0.510 4.860 4.350 -0.000 0.000 0.281 831 E C -1.113 175.537 176.600 0.084 0.000 0.995 831 E CA -0.646 55.861 56.400 0.178 0.000 0.808 831 E CB 1.379 31.233 29.700 0.256 0.000 1.093 831 E HN 0.746 nan 8.360 nan 0.000 0.394 832 I N 3.939 124.537 120.570 0.046 0.000 2.437 832 I HA 0.374 4.544 4.170 -0.000 0.000 0.298 832 I C 0.255 176.411 176.117 0.066 0.000 0.984 832 I CA -0.802 60.510 61.300 0.021 0.000 1.214 832 I CB 1.642 39.609 38.000 -0.055 0.000 1.365 832 I HN 0.396 nan 8.210 nan 0.000 0.469 833 R N 4.651 125.183 120.500 0.054 0.000 2.320 833 R HA 0.664 5.004 4.340 -0.000 0.000 0.319 833 R C -0.747 175.586 176.300 0.055 0.000 0.969 833 R CA -0.368 55.783 56.100 0.085 0.000 0.857 833 R CB 1.250 31.597 30.300 0.078 0.000 1.160 833 R HN 0.813 nan 8.270 nan 0.000 0.491 834 A N 4.937 127.799 122.820 0.071 0.000 2.302 834 A HA 0.516 4.836 4.320 -0.000 0.000 0.285 834 A C -0.490 177.125 177.584 0.052 0.000 1.105 834 A CA -0.535 51.512 52.037 0.017 0.000 0.816 834 A CB 0.591 19.552 19.000 -0.065 0.000 1.067 834 A HN 0.571 nan 8.150 nan 0.000 0.489 835 I N 0.870 121.455 120.570 0.024 0.000 2.530 835 I HA 0.457 4.627 4.170 -0.000 0.000 0.297 835 I C -0.536 175.504 176.117 -0.128 0.000 1.011 835 I CA -0.875 60.391 61.300 -0.057 0.000 1.107 835 I CB 1.387 39.358 38.000 -0.049 0.000 1.285 835 I HN 0.535 nan 8.210 nan 0.000 0.436 836 L N 5.737 126.809 121.223 -0.252 0.000 2.333 836 L HA 0.433 4.773 4.340 -0.000 0.000 0.280 836 L C -0.490 176.025 176.870 -0.591 0.000 1.004 836 L CA -0.229 54.413 54.840 -0.330 0.000 0.820 836 L CB 0.866 42.832 42.059 -0.155 0.000 1.247 836 L HN 0.461 nan 8.230 nan 0.000 0.416 837 H N 2.804 121.431 119.070 -0.737 0.000 2.466 837 H HA 0.309 4.865 4.556 -0.000 0.000 0.338 837 H C -0.888 173.947 175.328 -0.822 0.000 1.091 837 H CA -0.721 54.764 56.048 -0.938 0.000 1.207 837 H CB 1.977 30.764 29.762 -1.625 0.000 1.466 837 H HN 0.410 nan 8.280 nan 0.000 0.493 838 N N 3.103 121.600 118.700 -0.338 0.000 2.706 838 N HA 0.021 4.761 4.740 -0.000 0.000 0.240 838 N C -1.411 174.067 175.510 -0.052 0.000 1.039 838 N CA -0.431 52.555 53.050 -0.107 0.000 0.888 838 N CB 0.058 38.547 38.487 0.002 0.000 1.128 838 N HN 0.354 nan 8.380 nan 0.000 0.512 839 Y N 2.923 123.102 120.300 -0.202 0.000 2.735 839 Y HA 0.302 4.852 4.550 -0.000 0.000 0.354 839 Y C 0.308 176.095 175.900 -0.189 0.000 1.288 839 Y CA -0.656 57.349 58.100 -0.157 0.000 1.836 839 Y CB -0.546 37.841 38.460 -0.121 0.000 1.920 839 Y HN 0.211 nan 8.280 nan 0.000 0.438 840 V N -0.466 119.417 119.914 -0.052 0.000 3.149 840 V HA 0.446 4.566 4.120 -0.000 0.000 0.310 840 V C 0.288 176.334 176.094 -0.079 0.000 1.353 840 V CA -0.936 61.274 62.300 -0.150 0.000 1.040 840 V CB 1.798 33.386 31.823 -0.393 0.000 1.136 840 V HN 0.178 nan 8.190 nan 0.000 0.477 841 N N -0.005 118.650 118.700 -0.075 0.000 2.107 841 N HA 0.124 4.864 4.740 -0.000 0.000 0.230 841 N C 0.357 175.855 175.510 -0.021 0.000 1.139 841 N CA 0.082 53.114 53.050 -0.031 0.000 1.110 841 N CB -0.330 38.154 38.487 -0.005 0.000 1.474 841 N HN 0.866 nan 8.380 nan 0.000 0.525 842 E N 2.450 122.658 120.200 0.014 0.000 3.127 842 E HA -0.189 4.161 4.350 -0.000 0.000 0.299 842 E C -0.876 175.739 176.600 0.026 0.000 0.757 842 E CA 0.076 56.500 56.400 0.040 0.000 1.106 842 E CB -0.423 29.335 29.700 0.097 0.000 0.714 842 E HN 0.114 nan 8.360 nan 0.000 0.498 843 D N 3.011 123.421 120.400 0.018 0.000 2.563 843 D HA 0.027 4.667 4.640 -0.000 0.000 0.229 843 D C 0.532 176.856 176.300 0.041 0.000 1.159 843 D CA 1.006 55.014 54.000 0.012 0.000 0.869 843 D CB 0.257 41.065 40.800 0.015 0.000 1.203 843 D HN 0.458 nan 8.370 nan 0.000 0.478 844 I N -1.407 119.183 120.570 0.033 0.000 2.689 844 I HA 0.444 4.614 4.170 -0.000 0.000 0.299 844 I C -0.958 175.243 176.117 0.141 0.000 1.059 844 I CA -1.296 60.054 61.300 0.084 0.000 1.055 844 I CB 1.753 39.769 38.000 0.027 0.000 1.243 844 I HN 0.089 nan 8.210 nan 0.000 0.425 845 Y N 4.094 124.448 120.300 0.090 0.000 2.323 845 Y HA 0.749 5.299 4.550 -0.000 0.000 0.331 845 Y C -0.525 175.531 175.900 0.260 0.000 1.092 845 Y CA -0.200 58.002 58.100 0.169 0.000 1.150 845 Y CB 1.616 40.171 38.460 0.159 0.000 1.200 845 Y HN 0.563 nan 8.280 nan 0.000 0.472 846 V N 6.545 126.542 119.914 0.139 0.000 3.120 846 V HA 0.593 4.713 4.120 -0.000 0.000 0.303 846 V C -1.815 174.203 176.094 -0.126 0.000 1.238 846 V CA -0.853 61.533 62.300 0.142 0.000 1.008 846 V CB 2.271 34.238 31.823 0.239 0.000 1.064 846 V HN 0.833 nan 8.190 nan 0.000 0.434 847 R N 3.396 123.638 120.500 -0.429 0.000 2.480 847 R HA 0.776 5.116 4.340 -0.000 0.000 0.306 847 R C -2.060 174.061 176.300 -0.297 0.000 0.958 847 R CA -0.440 55.290 56.100 -0.616 0.000 0.861 847 R CB 2.065 31.532 30.300 -1.389 0.000 1.171 847 R HN 0.595 nan 8.270 nan 0.000 0.445 848 V N 4.687 124.454 119.914 -0.245 0.000 2.349 848 V HA 0.272 4.392 4.120 -0.000 0.000 0.284 848 V C -0.499 175.589 176.094 -0.009 0.000 1.014 848 V CA -0.656 61.595 62.300 -0.081 0.000 0.826 848 V CB 1.523 33.312 31.823 -0.057 0.000 1.009 848 V HN 0.765 nan 8.190 nan 0.000 0.431 849 E N 3.579 123.812 120.200 0.055 0.000 2.216 849 E HA 0.479 4.829 4.350 -0.000 0.000 0.279 849 E C -0.683 176.070 176.600 0.254 0.000 0.997 849 E CA -0.804 55.675 56.400 0.132 0.000 0.817 849 E CB 2.515 32.264 29.700 0.083 0.000 1.096 849 E HN 0.469 nan 8.360 nan 0.000 0.393 850 L N 3.238 124.706 121.223 0.407 0.000 2.421 850 L HA 0.406 4.746 4.340 -0.000 0.000 0.263 850 L C -1.047 175.974 176.870 0.252 0.000 1.122 850 L CA -0.126 54.961 54.840 0.412 0.000 0.804 850 L CB 0.680 43.088 42.059 0.583 0.000 1.150 850 L HN 0.548 nan 8.230 nan 0.000 0.457 851 L N 1.961 123.295 121.223 0.186 0.000 2.400 851 L HA 0.376 4.716 4.340 -0.000 0.000 0.264 851 L C -1.137 175.877 176.870 0.240 0.000 1.061 851 L CA -0.713 54.240 54.840 0.187 0.000 0.799 851 L CB 1.378 43.516 42.059 0.131 0.000 1.240 851 L HN 0.684 nan 8.230 nan 0.000 0.461 852 Y N 2.730 123.094 120.300 0.106 0.000 2.350 852 Y HA 0.337 4.887 4.550 -0.000 0.000 0.340 852 Y C -0.453 175.488 175.900 0.069 0.000 1.006 852 Y CA -0.574 57.585 58.100 0.097 0.000 1.166 852 Y CB 0.568 39.072 38.460 0.074 0.000 1.168 852 Y HN 0.435 nan 8.280 nan 0.000 0.502 853 N N 7.834 126.248 118.700 -0.475 0.000 2.352 853 N HA 0.344 5.084 4.740 -0.000 0.000 0.291 853 N C -2.600 172.382 175.510 -0.881 0.000 1.040 853 N CA -2.341 50.341 53.050 -0.613 0.000 0.864 853 N CB 2.609 40.877 38.487 -0.365 0.000 1.440 853 N HN 0.293 nan 8.380 nan 0.000 0.483 854 P HA -0.036 nan 4.420 nan 0.000 0.221 854 P C 0.586 177.609 177.300 -0.463 0.000 1.145 854 P CA 0.985 63.740 63.100 -0.575 0.000 0.795 854 P CB 0.224 31.737 31.700 -0.311 0.000 0.775 855 A N -2.154 120.243 122.820 -0.706 0.000 2.252 855 A HA 0.115 4.435 4.320 -0.000 0.000 0.207 855 A C 0.019 177.267 177.584 -0.560 0.000 1.194 855 A CA 0.518 52.069 52.037 -0.810 0.000 0.809 855 A CB -0.843 17.299 19.000 -1.429 0.000 0.814 855 A HN 0.013 nan 8.150 nan 0.000 0.482 856 F N -2.158 117.645 119.950 -0.244 0.000 2.539 856 F HA 0.339 4.866 4.527 -0.000 0.000 0.318 856 F C -0.120 175.628 175.800 -0.086 0.000 1.135 856 F CA -2.067 55.841 58.000 -0.153 0.000 0.915 856 F CB 0.747 39.662 39.000 -0.142 0.000 1.176 856 F HN -0.137 nan 8.300 nan 0.000 0.440 857 c N 3.884 122.584 118.600 0.166 0.000 2.289 857 c HA 0.653 5.223 4.570 -0.000 0.000 0.340 857 c C 0.450 174.592 174.090 0.087 0.000 1.152 857 c CA -0.136 56.263 56.329 0.116 0.000 1.650 857 c CB -1.883 40.669 42.510 0.071 0.000 2.203 857 c HN 0.838 nan 8.230 nan 0.000 0.511 858 S N 3.449 119.224 115.700 0.126 0.000 2.745 858 S HA 0.719 5.189 4.470 -0.000 0.000 0.306 858 S C 0.725 175.389 174.600 0.107 0.000 1.137 858 S CA 0.003 58.245 58.200 0.069 0.000 0.900 858 S CB 1.378 64.645 63.200 0.112 0.000 1.176 858 S HN 0.842 nan 8.310 nan 0.000 0.520 859 A N 0.535 123.360 122.820 0.007 0.000 2.178 859 A HA 0.298 4.618 4.320 -0.000 0.000 0.218 859 A C 0.967 178.729 177.584 0.297 0.000 1.157 859 A CA 0.674 52.770 52.037 0.098 0.000 0.689 859 A CB -0.858 17.854 19.000 -0.480 0.000 0.787 859 A HN 0.650 nan 8.150 nan 0.000 0.465 860 S N -0.987 114.870 115.700 0.261 0.000 2.621 860 S HA 0.618 5.088 4.470 -0.000 0.000 0.302 860 S C 0.022 174.781 174.600 0.265 0.000 1.093 860 S CA -0.055 58.322 58.200 0.296 0.000 1.017 860 S CB 1.713 65.110 63.200 0.329 0.000 1.077 860 S HN 0.604 nan 8.310 nan 0.000 0.517 861 T N -1.531 113.047 114.554 0.040 0.000 2.906 861 T HA 0.463 4.813 4.350 -0.000 0.000 0.295 861 T C 0.579 174.864 174.700 -0.691 0.000 1.061 861 T CA -0.938 60.974 62.100 -0.315 0.000 1.000 861 T CB 1.418 70.193 68.868 -0.155 0.000 1.103 861 T HN 0.485 nan 8.240 nan 0.000 0.486 862 K N 0.536 120.205 120.400 -1.219 0.000 2.444 862 K HA -0.116 4.204 4.320 -0.000 0.000 0.200 862 K C 1.633 178.046 176.600 -0.310 0.000 1.045 862 K CA 1.856 57.598 56.287 -0.908 0.000 0.934 862 K CB -0.725 31.460 32.500 -0.525 0.000 0.756 862 K HN 0.799 nan 8.250 nan 0.000 0.477 863 G N -0.600 108.068 108.800 -0.220 0.000 2.763 863 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.205 863 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.205 863 G C -0.139 174.737 174.900 -0.040 0.000 1.137 863 G CA -0.210 44.840 45.100 -0.084 0.000 0.839 863 G HN 0.236 nan 8.290 nan 0.000 0.596 864 Q N 1.235 121.013 119.800 -0.036 0.000 2.340 864 Q HA 0.505 4.845 4.340 -0.000 0.000 0.259 864 Q C -0.182 175.853 176.000 0.059 0.000 0.964 864 Q CA -0.398 55.415 55.803 0.017 0.000 0.900 864 Q CB 0.733 29.486 28.738 0.025 0.000 1.228 864 Q HN 0.213 nan 8.270 nan 0.000 0.449 865 R N 2.585 123.136 120.500 0.085 0.000 2.490 865 R HA 0.126 4.466 4.340 -0.000 0.000 0.280 865 R C -0.684 175.716 176.300 0.167 0.000 1.077 865 R CA -0.501 55.687 56.100 0.147 0.000 1.065 865 R CB 0.636 31.017 30.300 0.134 0.000 1.003 865 R HN 0.663 nan 8.270 nan 0.000 0.470 866 Y N 3.972 124.321 120.300 0.082 0.000 2.480 866 Y HA 0.098 4.648 4.550 -0.000 0.000 0.341 866 Y C -0.067 175.829 175.900 -0.006 0.000 1.031 866 Y CA -0.191 57.932 58.100 0.038 0.000 1.295 866 Y CB 0.273 38.748 38.460 0.025 0.000 1.162 866 Y HN 0.531 nan 8.280 nan 0.000 0.523 867 R N 4.838 125.162 120.500 -0.293 0.000 2.750 867 R HA 0.624 4.964 4.340 -0.000 0.000 0.281 867 R C -1.821 174.221 176.300 -0.429 0.000 0.972 867 R CA -0.907 55.053 56.100 -0.234 0.000 0.912 867 R CB 1.828 32.055 30.300 -0.121 0.000 1.187 867 R HN 0.698 nan 8.270 nan 0.000 0.464 868 Q N 1.788 121.357 119.800 -0.385 0.000 2.347 868 Q HA 0.305 4.645 4.340 -0.000 0.000 0.271 868 Q C -1.326 174.392 176.000 -0.469 0.000 1.064 868 Q CA -0.967 54.566 55.803 -0.449 0.000 0.800 868 Q CB 3.260 31.647 28.738 -0.585 0.000 1.304 868 Q HN 0.541 nan 8.270 nan 0.000 0.438 869 Q N 2.928 122.535 119.800 -0.320 0.000 2.312 869 Q HA 0.761 5.101 4.340 -0.000 0.000 0.263 869 Q C -0.827 174.998 176.000 -0.292 0.000 0.995 869 Q CA -0.539 55.091 55.803 -0.288 0.000 0.853 869 Q CB 1.851 30.615 28.738 0.043 0.000 1.300 869 Q HN 0.695 nan 8.270 nan 0.000 0.448 870 F N -0.925 118.630 119.950 -0.658 0.000 3.194 870 F HA 0.768 5.295 4.527 0.000 0.000 0.327 870 F C -3.166 172.293 175.800 -0.569 0.000 1.141 870 F CA -2.389 55.249 58.000 -0.602 0.000 0.862 870 F CB 1.381 40.170 39.000 -0.351 0.000 1.447 870 F HN 0.310 nan 8.300 nan 0.000 0.479 871 P HA 0.621 nan 4.420 nan 0.000 0.294 871 P C -1.579 175.480 177.300 -0.402 0.000 1.323 871 P CA -0.600 62.354 63.100 -0.242 0.000 1.015 871 P CB 3.331 35.011 31.700 -0.034 0.000 1.392 872 I N -1.785 118.646 120.570 -0.231 0.000 2.752 872 I HA 0.489 4.659 4.170 -0.000 0.000 0.295 872 I C 0.122 176.175 176.117 -0.107 0.000 1.219 872 I CA -1.175 59.992 61.300 -0.222 0.000 1.030 872 I CB 2.270 40.141 38.000 -0.216 0.000 1.259 872 I HN 0.065 nan 8.210 nan 0.000 0.423 873 K N 4.428 124.774 120.400 -0.091 0.000 2.088 873 K HA 0.570 4.890 4.320 -0.000 0.000 0.201 873 K C 0.494 177.075 176.600 -0.033 0.000 1.054 873 K CA 0.494 56.752 56.287 -0.050 0.000 1.025 873 K CB -0.588 31.887 32.500 -0.042 0.000 1.258 873 K HN 0.869 nan 8.250 nan 0.000 0.456 874 A N -0.864 121.944 122.820 -0.020 0.000 2.594 874 A HA 0.533 4.853 4.320 -0.000 0.000 0.295 874 A C -0.313 177.281 177.584 0.016 0.000 1.071 874 A CA -0.463 51.569 52.037 -0.009 0.000 0.685 874 A CB 0.954 19.945 19.000 -0.016 0.000 1.285 874 A HN 0.533 nan 8.150 nan 0.000 0.405 875 L N 0.335 121.585 121.223 0.046 0.000 3.970 875 L HA -0.233 4.107 4.340 -0.000 0.000 0.425 875 L C 0.381 177.377 176.870 0.210 0.000 1.162 875 L CA 1.396 56.292 54.840 0.094 0.000 0.968 875 L CB -1.448 40.582 42.059 -0.048 0.000 1.896 875 L HN 1.431 nan 8.230 nan 0.000 1.006 876 S N -2.158 113.630 115.700 0.146 0.000 2.739 876 S HA 0.928 5.398 4.470 -0.000 0.000 0.306 876 S C -0.075 174.506 174.600 -0.031 0.000 1.115 876 S CA -0.056 58.176 58.200 0.054 0.000 0.985 876 S CB 2.269 65.459 63.200 -0.017 0.000 1.133 876 S HN 0.333 nan 8.310 nan 0.000 0.541 877 S N 0.325 115.965 115.700 -0.100 0.000 2.543 877 S HA 0.644 5.114 4.470 -0.000 0.000 0.271 877 S C -1.379 173.096 174.600 -0.209 0.000 1.148 877 S CA -0.890 57.168 58.200 -0.237 0.000 0.914 877 S CB 1.387 64.445 63.200 -0.237 0.000 1.096 877 S HN 0.602 nan 8.310 nan 0.000 0.471 878 R N 1.525 121.879 120.500 -0.243 0.000 2.538 878 R HA 0.658 4.998 4.340 -0.000 0.000 0.292 878 R C -0.771 175.489 176.300 -0.066 0.000 1.008 878 R CA -0.626 55.378 56.100 -0.160 0.000 0.896 878 R CB 1.818 31.968 30.300 -0.250 0.000 1.187 878 R HN 0.772 nan 8.270 nan 0.000 0.440 879 A N 3.004 125.818 122.820 -0.010 0.000 2.362 879 A HA 0.505 4.825 4.320 -0.000 0.000 0.276 879 A C 0.050 177.711 177.584 0.127 0.000 1.153 879 A CA -0.486 51.577 52.037 0.044 0.000 0.813 879 A CB 0.484 19.509 19.000 0.041 0.000 1.081 879 A HN 0.393 nan 8.150 nan 0.000 0.507 880 V N 1.970 121.986 119.914 0.169 0.000 2.409 880 V HA 0.586 4.706 4.120 -0.000 0.000 0.291 880 V C -2.706 173.533 176.094 0.241 0.000 1.020 880 V CA -2.268 60.157 62.300 0.208 0.000 0.848 880 V CB 1.371 33.374 31.823 0.301 0.000 0.990 880 V HN 0.752 nan 8.190 nan 0.000 0.430 881 P HA 0.599 nan 4.420 nan 0.000 0.279 881 P C -1.225 176.083 177.300 0.014 0.000 1.252 881 P CA -0.431 62.731 63.100 0.103 0.000 0.811 881 P CB 0.669 32.372 31.700 0.004 0.000 1.035 882 F N -0.175 119.691 119.950 -0.140 0.000 2.562 882 F HA 0.290 4.817 4.527 -0.000 0.000 0.319 882 F C -0.121 175.538 175.800 -0.235 0.000 1.154 882 F CA -1.100 56.752 58.000 -0.248 0.000 0.931 882 F CB 1.840 40.708 39.000 -0.220 0.000 1.198 882 F HN -0.072 nan 8.300 nan 0.000 0.444 883 V N 5.352 125.137 119.914 -0.214 0.000 2.567 883 V HA 0.540 4.660 4.120 -0.000 0.000 0.289 883 V C -0.098 175.868 176.094 -0.214 0.000 1.049 883 V CA -0.583 61.569 62.300 -0.247 0.000 0.969 883 V CB 1.794 33.345 31.823 -0.452 0.000 0.995 883 V HN 0.667 nan 8.190 nan 0.000 0.471 884 I N 4.692 125.145 120.570 -0.194 0.000 2.785 884 I HA 0.644 4.814 4.170 -0.000 0.000 0.293 884 I C -1.403 174.620 176.117 -0.157 0.000 1.446 884 I CA -0.822 60.357 61.300 -0.202 0.000 1.028 884 I CB 2.396 40.188 38.000 -0.346 0.000 1.349 884 I HN 0.450 nan 8.210 nan 0.000 0.438 885 V N 4.234 124.090 119.914 -0.098 0.000 2.378 885 V HA 0.737 4.857 4.120 -0.000 0.000 0.288 885 V C -2.621 173.494 176.094 0.035 0.000 1.016 885 V CA -1.742 60.541 62.300 -0.029 0.000 0.840 885 V CB 0.882 32.710 31.823 0.007 0.000 0.994 885 V HN 0.638 nan 8.190 nan 0.000 0.431 886 P HA 0.434 nan 4.420 nan 0.000 0.274 886 P C -0.210 177.176 177.300 0.143 0.000 1.237 886 P CA -0.252 62.994 63.100 0.243 0.000 0.793 886 P CB 2.331 34.156 31.700 0.209 0.000 0.977 887 L N -0.479 120.800 121.223 0.094 0.000 2.769 887 L HA 0.280 4.620 4.340 -0.000 0.000 0.175 887 L C 1.070 177.925 176.870 -0.024 0.000 1.099 887 L CA 0.199 55.048 54.840 0.014 0.000 0.876 887 L CB -0.550 41.499 42.059 -0.016 0.000 1.498 887 L HN 0.257 nan 8.230 nan 0.000 0.499 888 E N 1.373 121.495 120.200 -0.130 0.000 2.373 888 E HA 0.225 4.575 4.350 -0.000 0.000 0.263 888 E C -0.822 175.838 176.600 0.099 0.000 1.073 888 E CA -0.223 56.130 56.400 -0.078 0.000 0.894 888 E CB 0.870 30.457 29.700 -0.188 0.000 1.008 888 E HN 0.182 nan 8.360 nan 0.000 0.420 889 Q N 0.612 120.539 119.800 0.211 0.000 2.385 889 Q HA 0.752 5.092 4.340 -0.000 0.000 0.262 889 Q C 0.295 176.395 176.000 0.167 0.000 1.050 889 Q CA -0.477 55.457 55.803 0.219 0.000 0.903 889 Q CB 1.535 30.328 28.738 0.092 0.000 1.325 889 Q HN 0.646 nan 8.270 nan 0.000 0.485 890 G N -0.594 108.209 108.800 0.005 0.000 2.472 890 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.205 890 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.205 890 G C -1.116 173.616 174.900 -0.279 0.000 1.270 890 G CA -0.534 44.477 45.100 -0.149 0.000 0.974 890 G HN 0.782 nan 8.290 nan 0.000 0.542 891 L N 0.954 121.952 121.223 -0.375 0.000 2.349 891 L HA 0.731 5.071 4.340 -0.000 0.000 0.275 891 L C 0.349 176.841 176.870 -0.630 0.000 1.115 891 L CA -0.649 54.003 54.840 -0.313 0.000 0.820 891 L CB 1.068 43.022 42.059 -0.176 0.000 1.135 891 L HN 0.618 nan 8.230 nan 0.000 0.445 892 H N 0.349 119.437 119.070 0.029 0.000 2.930 892 H HA 0.301 4.857 4.556 -0.000 0.000 0.371 892 H C -1.370 173.997 175.328 0.065 0.000 1.169 892 H CA -0.953 55.077 56.048 -0.030 0.000 1.157 892 H CB 2.004 31.640 29.762 -0.210 0.000 1.789 892 H HN 0.615 nan 8.280 nan 0.000 0.547 893 D N 1.309 121.785 120.400 0.127 0.000 2.308 893 D HA 0.306 4.946 4.640 -0.000 0.000 0.251 893 D C -0.152 176.274 176.300 0.210 0.000 1.127 893 D CA -0.219 53.852 54.000 0.119 0.000 0.876 893 D CB 1.623 42.456 40.800 0.056 0.000 1.176 893 D HN 0.017 nan 8.370 nan 0.000 0.446 894 V N 2.106 122.118 119.914 0.163 0.000 2.459 894 V HA 0.342 4.462 4.120 -0.000 0.000 0.295 894 V C -0.301 175.806 176.094 0.022 0.000 1.029 894 V CA -0.582 61.790 62.300 0.120 0.000 0.874 894 V CB 1.625 33.460 31.823 0.020 0.000 0.985 894 V HN 0.536 nan 8.190 nan 0.000 0.438 895 E N 4.748 124.959 120.200 0.018 0.000 2.218 895 E HA 0.599 4.949 4.350 -0.000 0.000 0.263 895 E C -1.489 175.092 176.600 -0.030 0.000 0.879 895 E CA -0.460 55.942 56.400 0.004 0.000 0.762 895 E CB 1.629 31.355 29.700 0.042 0.000 1.166 895 E HN 0.611 nan 8.360 nan 0.000 0.415 896 I N 3.853 124.381 120.570 -0.070 0.000 2.474 896 I HA 0.435 4.605 4.170 -0.000 0.000 0.294 896 I C -0.400 175.713 176.117 -0.006 0.000 1.005 896 I CA -0.824 60.428 61.300 -0.080 0.000 1.113 896 I CB 1.838 39.698 38.000 -0.233 0.000 1.289 896 I HN 0.415 nan 8.210 nan 0.000 0.436 897 K N 4.105 124.525 120.400 0.034 0.000 2.435 897 K HA 0.890 5.210 4.320 -0.000 0.000 0.251 897 K C -1.426 175.203 176.600 0.049 0.000 0.954 897 K CA -0.729 55.585 56.287 0.045 0.000 0.820 897 K CB 2.831 35.365 32.500 0.056 0.000 1.292 897 K HN 0.664 nan 8.250 nan 0.000 0.436 898 A N 0.810 123.675 122.820 0.075 0.000 2.540 898 A HA 0.603 4.923 4.320 -0.000 0.000 0.297 898 A C -1.524 176.219 177.584 0.264 0.000 1.056 898 A CA -0.603 51.502 52.037 0.113 0.000 0.700 898 A CB 1.887 20.946 19.000 0.099 0.000 1.280 898 A HN 0.442 nan 8.150 nan 0.000 0.398 899 S N 1.056 116.866 115.700 0.183 0.000 2.541 899 S HA 0.671 5.141 4.470 -0.000 0.000 0.280 899 S C -0.961 173.736 174.600 0.163 0.000 1.112 899 S CA -0.406 57.918 58.200 0.207 0.000 0.925 899 S CB 1.453 64.739 63.200 0.144 0.000 1.067 899 S HN 1.220 nan 8.310 nan 0.000 0.479 900 V N 5.052 125.027 119.914 0.103 0.000 2.432 900 V HA 0.370 4.490 4.120 -0.000 0.000 0.275 900 V C 0.655 176.915 176.094 0.276 0.000 1.043 900 V CA -0.583 61.767 62.300 0.084 0.000 0.925 900 V CB 1.194 32.936 31.823 -0.136 0.000 0.985 900 V HN 0.978 nan 8.190 nan 0.000 0.466 901 Q N 3.673 123.730 119.800 0.428 0.000 2.320 901 Q HA -0.045 4.295 4.340 -0.000 0.000 0.311 901 Q C 0.378 176.409 176.000 0.051 0.000 1.083 901 Q CA 0.481 56.421 55.803 0.229 0.000 1.001 901 Q CB 0.009 28.863 28.738 0.194 0.000 1.074 901 Q HN 0.806 nan 8.270 nan 0.000 0.379 902 E N 1.652 121.829 120.200 -0.037 0.000 2.369 902 E HA -0.224 4.126 4.350 -0.000 0.000 0.165 902 E C -1.990 174.538 176.600 -0.121 0.000 1.622 902 E CA 1.112 57.463 56.400 -0.082 0.000 0.660 902 E CB -1.274 28.372 29.700 -0.090 0.000 1.085 902 E HN 0.797 nan 8.360 nan 0.000 0.346 903 A N 2.008 124.726 122.820 -0.170 0.000 2.490 903 A HA 0.471 4.791 4.320 -0.000 0.000 0.292 903 A C 0.535 177.878 177.584 -0.401 0.000 1.047 903 A CA -0.340 51.457 52.037 -0.399 0.000 0.632 903 A CB -0.002 18.642 19.000 -0.592 0.000 1.323 903 A HN 0.283 nan 8.150 nan 0.000 0.448 904 L N -0.201 120.613 121.223 -0.682 0.000 2.046 904 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 904 L C 0.751 177.487 176.870 -0.224 0.000 1.077 904 L CA 0.822 55.392 54.840 -0.450 0.000 0.747 904 L CB -0.396 41.343 42.059 -0.533 0.000 0.896 904 L HN 0.653 nan 8.230 nan 0.000 0.432 905 W N 2.094 123.386 121.300 -0.014 0.000 2.295 905 W HA 0.237 4.897 4.660 -0.000 0.000 0.335 905 W C 0.691 177.256 176.519 0.076 0.000 1.351 905 W CA 0.053 57.398 57.345 0.000 0.000 1.273 905 W CB -0.535 28.822 29.460 -0.173 0.000 1.214 905 W HN 0.116 nan 8.180 nan 0.000 0.563 906 S N 1.275 117.263 115.700 0.479 0.000 2.578 906 S HA 0.522 4.992 4.470 -0.000 0.000 0.272 906 S C -1.725 173.087 174.600 0.353 0.000 1.145 906 S CA -0.965 57.472 58.200 0.395 0.000 0.835 906 S CB 2.967 66.298 63.200 0.219 0.000 1.104 906 S HN 0.365 nan 8.310 nan 0.000 0.458 907 D N -1.071 119.476 120.400 0.245 0.000 2.685 907 D HA 0.657 5.297 4.640 -0.000 0.000 0.236 907 D C -0.420 175.928 176.300 0.081 0.000 1.233 907 D CA 0.330 54.410 54.000 0.134 0.000 0.760 907 D CB 1.557 42.407 40.800 0.084 0.000 1.410 907 D HN 1.001 nan 8.370 nan 0.000 0.439 908 G N -0.267 108.571 108.800 0.062 0.000 2.680 908 G HA2 0.694 4.654 3.960 -0.000 0.000 0.290 908 G HA3 0.694 4.654 3.960 -0.000 0.000 0.290 908 G C -1.554 173.382 174.900 0.060 0.000 1.355 908 G CA -0.703 44.427 45.100 0.051 0.000 0.903 908 G HN 0.587 nan 8.290 nan 0.000 0.474 909 V N 0.186 120.133 119.914 0.056 0.000 2.737 909 V HA 0.456 4.576 4.120 -0.000 0.000 0.298 909 V C -0.524 175.607 176.094 0.061 0.000 1.163 909 V CA -0.781 61.575 62.300 0.094 0.000 0.925 909 V CB 1.843 33.689 31.823 0.039 0.000 1.037 909 V HN 0.842 nan 8.190 nan 0.000 0.433 910 R N 3.888 124.459 120.500 0.118 0.000 2.265 910 R HA 0.614 4.954 4.340 -0.000 0.000 0.328 910 R C -0.755 175.595 176.300 0.083 0.000 0.969 910 R CA -0.597 55.553 56.100 0.083 0.000 0.832 910 R CB 1.065 31.418 30.300 0.087 0.000 1.139 910 R HN 0.663 nan 8.270 nan 0.000 0.457 911 K N 3.616 124.005 120.400 -0.018 0.000 2.323 911 K HA 0.278 4.598 4.320 -0.000 0.000 0.259 911 K C -0.625 175.967 176.600 -0.013 0.000 0.947 911 K CA -0.759 55.476 56.287 -0.086 0.000 0.819 911 K CB 2.258 34.625 32.500 -0.221 0.000 1.109 911 K HN 0.369 nan 8.250 nan 0.000 0.429 912 K N 2.291 122.697 120.400 0.010 0.000 2.258 912 K HA 0.290 4.610 4.320 -0.000 0.000 0.264 912 K C -0.484 176.141 176.600 0.041 0.000 1.007 912 K CA -0.181 56.128 56.287 0.037 0.000 0.941 912 K CB 0.653 33.168 32.500 0.026 0.000 0.966 912 K HN 0.436 nan 8.250 nan 0.000 0.480 913 L N 1.689 122.961 121.223 0.082 0.000 2.401 913 L HA 0.435 4.775 4.340 -0.000 0.000 0.266 913 L C -1.372 175.549 176.870 0.084 0.000 0.991 913 L CA -0.917 53.975 54.840 0.086 0.000 0.818 913 L CB 1.835 43.959 42.059 0.107 0.000 1.321 913 L HN 0.430 nan 8.230 nan 0.000 0.413 914 K N 3.289 123.717 120.400 0.047 0.000 2.264 914 K HA 0.491 4.811 4.320 -0.000 0.000 0.277 914 K C -1.371 175.228 176.600 -0.001 0.000 1.067 914 K CA -0.368 55.915 56.287 -0.007 0.000 0.900 914 K CB 1.101 33.551 32.500 -0.084 0.000 1.124 914 K HN 0.452 nan 8.250 nan 0.000 0.469 915 V N 5.416 125.357 119.914 0.044 0.000 2.398 915 V HA 0.445 4.565 4.120 -0.000 0.000 0.286 915 V C -0.413 175.690 176.094 0.015 0.000 1.026 915 V CA -0.867 61.474 62.300 0.067 0.000 0.868 915 V CB 1.178 33.112 31.823 0.185 0.000 0.982 915 V HN 0.565 nan 8.190 nan 0.000 0.443 916 V N 6.525 126.431 119.914 -0.013 0.000 2.960 916 V HA 0.762 4.882 4.120 -0.000 0.000 0.315 916 V C -2.653 173.436 176.094 -0.008 0.000 1.087 916 V CA -2.612 59.670 62.300 -0.031 0.000 0.982 916 V CB 3.080 34.856 31.823 -0.079 0.000 1.039 916 V HN 0.751 nan 8.190 nan 0.000 0.437 917 P HA 0.227 nan 4.420 nan 0.000 0.276 917 P C -0.736 176.561 177.300 -0.005 0.000 1.235 917 P CA -0.006 63.096 63.100 0.003 0.000 0.772 917 P CB 0.445 32.150 31.700 0.008 0.000 0.871 918 E N 2.858 123.058 120.200 -0.000 0.000 2.435 918 E HA 0.341 4.691 4.350 -0.000 0.000 0.256 918 E C 0.348 176.944 176.600 -0.008 0.000 1.245 918 E CA -0.052 56.346 56.400 -0.004 0.000 0.989 918 E CB -0.306 29.396 29.700 0.003 0.000 0.983 918 E HN 0.677 nan 8.360 nan 0.000 0.480 919 G N -1.278 107.514 108.800 -0.013 0.000 2.587 919 G HA2 0.046 4.006 3.960 -0.000 0.000 0.686 919 G HA3 0.046 4.006 3.960 -0.000 0.000 0.686 919 G C -1.294 173.587 174.900 -0.033 0.000 1.236 919 G CA -0.336 44.751 45.100 -0.023 0.000 0.820 919 G HN 0.676 nan 8.290 nan 0.000 0.645 920 V N 1.167 121.053 119.914 -0.048 0.000 2.815 920 V HA 0.759 4.879 4.120 -0.000 0.000 0.314 920 V C 0.764 176.819 176.094 -0.065 0.000 1.064 920 V CA -0.199 62.075 62.300 -0.044 0.000 0.952 920 V CB 1.753 33.555 31.823 -0.035 0.000 1.020 920 V HN 1.177 nan 8.190 nan 0.000 0.439 921 Q N 4.299 124.083 119.800 -0.025 0.000 2.352 921 Q HA 0.385 4.725 4.340 -0.000 0.000 0.260 921 Q C -0.709 175.304 176.000 0.021 0.000 0.976 921 Q CA 0.184 55.995 55.803 0.013 0.000 0.881 921 Q CB 0.712 29.480 28.738 0.050 0.000 1.235 921 Q HN 0.660 nan 8.270 nan 0.000 0.419 922 K N 1.812 122.237 120.400 0.042 0.000 2.542 922 K HA 0.343 4.663 4.320 -0.000 0.000 0.259 922 K C -1.872 174.825 176.600 0.160 0.000 0.932 922 K CA -0.611 55.687 56.287 0.018 0.000 0.820 922 K CB 1.771 34.134 32.500 -0.228 0.000 1.345 922 K HN 0.755 nan 8.250 nan 0.000 0.432 923 S N 3.535 119.273 115.700 0.064 0.000 2.478 923 S HA 0.623 5.093 4.470 -0.000 0.000 0.312 923 S C -0.756 173.773 174.600 -0.118 0.000 1.094 923 S CA -0.793 57.258 58.200 -0.248 0.000 1.081 923 S CB 0.909 63.872 63.200 -0.396 0.000 1.007 923 S HN 0.417 nan 8.310 nan 0.000 0.475 924 I N 3.601 124.097 120.570 -0.124 0.000 2.410 924 I HA 0.399 4.569 4.170 -0.000 0.000 0.286 924 I C -0.700 175.339 176.117 -0.131 0.000 1.009 924 I CA -0.568 60.688 61.300 -0.073 0.000 1.111 924 I CB 1.855 39.852 38.000 -0.005 0.000 1.262 924 I HN 0.647 nan 8.210 nan 0.000 0.443 925 V N 5.440 125.288 119.914 -0.111 0.000 2.472 925 V HA 0.740 4.860 4.120 -0.000 0.000 0.290 925 V C 0.115 176.169 176.094 -0.067 0.000 1.037 925 V CA -0.522 61.719 62.300 -0.099 0.000 0.908 925 V CB 1.530 33.296 31.823 -0.094 0.000 0.985 925 V HN 0.805 nan 8.190 nan 0.000 0.454 926 T N 2.429 116.947 114.554 -0.059 0.000 2.906 926 T HA 0.831 5.181 4.350 -0.000 0.000 0.295 926 T C -0.754 173.923 174.700 -0.039 0.000 1.061 926 T CA -0.580 61.492 62.100 -0.046 0.000 1.000 926 T CB 2.017 70.858 68.868 -0.045 0.000 1.103 926 T HN 0.417 nan 8.240 nan 0.000 0.486 927 I N 1.920 122.471 120.570 -0.032 0.000 2.503 927 I HA 0.432 4.602 4.170 -0.000 0.000 0.282 927 I C -0.310 175.794 176.117 -0.023 0.000 1.059 927 I CA -1.300 59.984 61.300 -0.027 0.000 1.081 927 I CB 1.890 39.873 38.000 -0.028 0.000 1.210 927 I HN 0.605 nan 8.210 nan 0.000 0.450 928 V N 2.295 122.197 119.914 -0.020 0.000 2.612 928 V HA 0.609 4.729 4.120 -0.000 0.000 0.301 928 V C -0.006 176.079 176.094 -0.013 0.000 1.046 928 V CA -0.805 61.485 62.300 -0.017 0.000 0.946 928 V CB 1.553 33.366 31.823 -0.017 0.000 1.003 928 V HN 0.463 nan 8.190 nan 0.000 0.459 929 K N 3.745 124.138 120.400 -0.011 0.000 2.172 929 K HA 0.606 4.926 4.320 -0.000 0.000 0.276 929 K C -0.806 175.790 176.600 -0.006 0.000 1.013 929 K CA -0.293 55.989 56.287 -0.008 0.000 0.913 929 K CB 1.641 34.136 32.500 -0.008 0.000 1.055 929 K HN 0.723 nan 8.250 nan 0.000 0.461 930 L N 2.502 123.723 121.223 -0.003 0.000 2.305 930 L HA 0.315 4.655 4.340 -0.000 0.000 0.284 930 L C -0.236 176.636 176.870 0.003 0.000 1.013 930 L CA -0.526 54.314 54.840 -0.000 0.000 0.819 930 L CB 1.317 43.377 42.059 0.002 0.000 1.227 930 L HN 0.494 nan 8.230 nan 0.000 0.417 931 D N 4.468 124.870 120.400 0.003 0.000 2.527 931 D HA 0.228 4.868 4.640 -0.000 0.000 0.242 931 D C -2.132 174.171 176.300 0.006 0.000 1.285 931 D CA -1.341 52.662 54.000 0.005 0.000 0.886 931 D CB 1.812 42.614 40.800 0.004 0.000 1.402 931 D HN 0.073 nan 8.370 nan 0.000 0.528 932 P HA -0.098 nan 4.420 nan 0.000 0.218 932 P C 1.372 178.676 177.300 0.007 0.000 1.148 932 P CA 0.776 63.880 63.100 0.007 0.000 0.822 932 P CB 0.313 32.019 31.700 0.010 0.000 0.784 933 R N -0.210 120.295 120.500 0.009 0.000 2.115 933 R HA -0.006 4.334 4.340 -0.000 0.000 0.230 933 R C 1.844 178.149 176.300 0.007 0.000 1.111 933 R CA 1.575 57.680 56.100 0.009 0.000 0.976 933 R CB -0.503 29.804 30.300 0.011 0.000 0.870 933 R HN 0.091 nan 8.270 nan 0.000 0.445 934 A N -0.149 122.674 122.820 0.006 0.000 2.063 934 A HA 0.119 4.439 4.320 -0.000 0.000 0.211 934 A C 1.455 179.041 177.584 0.002 0.000 1.177 934 A CA 0.427 52.466 52.037 0.004 0.000 0.759 934 A CB 0.303 19.305 19.000 0.004 0.000 0.857 934 A HN 0.282 nan 8.150 nan 0.000 0.468 935 K N -0.813 119.588 120.400 0.002 0.000 2.380 935 K HA 0.225 4.545 4.320 -0.000 0.000 0.200 935 K C 1.229 177.829 176.600 0.000 0.000 1.201 935 K CA 0.365 56.652 56.287 0.000 0.000 0.916 935 K CB 0.030 32.529 32.500 -0.001 0.000 1.187 935 K HN 0.299 nan 8.250 nan 0.000 0.498 936 G N 1.161 109.961 108.800 0.001 0.000 2.699 936 G HA2 0.168 4.128 3.960 -0.000 0.000 0.246 936 G HA3 0.168 4.128 3.960 -0.000 0.000 0.246 936 G C 1.007 175.907 174.900 0.001 0.000 1.219 936 G CA -0.513 44.587 45.100 0.001 0.000 0.866 936 G HN -0.073 nan 8.290 nan 0.000 0.572 937 V N 1.330 121.244 119.914 0.001 0.000 2.278 937 V HA 0.164 4.284 4.120 -0.000 0.000 0.231 937 V C 2.302 178.397 176.094 0.002 0.000 1.048 937 V CA 1.621 63.922 62.300 0.001 0.000 1.015 937 V CB -1.075 30.748 31.823 0.000 0.000 0.652 937 V HN 0.791 nan 8.190 nan 0.000 0.466 938 G N -0.738 108.063 108.800 0.003 0.000 3.717 938 G HA2 0.441 4.401 3.960 -0.000 0.000 0.258 938 G HA3 0.441 4.401 3.960 -0.000 0.000 0.258 938 G C 1.075 175.979 174.900 0.005 0.000 1.088 938 G CA 0.445 45.547 45.100 0.004 0.000 1.737 938 G HN 1.189 nan 8.290 nan 0.000 0.648 939 G N 0.255 109.059 108.800 0.006 0.000 2.196 939 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.268 939 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.268 939 G C 0.506 175.410 174.900 0.007 0.000 0.975 939 G CA 0.720 45.825 45.100 0.008 0.000 0.648 939 G HN 0.746 nan 8.290 nan 0.000 0.538 940 T N 0.821 115.378 114.554 0.005 0.000 2.821 940 T HA 0.518 4.868 4.350 -0.000 0.000 0.307 940 T C -0.070 174.631 174.700 0.001 0.000 1.034 940 T CA -0.172 61.930 62.100 0.003 0.000 0.953 940 T CB 1.407 70.277 68.868 0.002 0.000 0.968 940 T HN 0.437 nan 8.240 nan 0.000 0.462 941 Q N 4.745 124.545 119.800 0.000 0.000 2.340 941 Q HA 0.335 4.675 4.340 -0.000 0.000 0.259 941 Q C -0.984 175.012 176.000 -0.006 0.000 0.964 941 Q CA -0.900 54.902 55.803 -0.002 0.000 0.900 941 Q CB 0.534 29.271 28.738 -0.002 0.000 1.228 941 Q HN 0.388 nan 8.270 nan 0.000 0.449 942 L N 4.456 125.675 121.223 -0.007 0.000 2.302 942 L HA 0.365 4.705 4.340 -0.000 0.000 0.285 942 L C -0.168 176.695 176.870 -0.012 0.000 1.090 942 L CA 0.158 54.992 54.840 -0.010 0.000 0.866 942 L CB 0.505 42.559 42.059 -0.009 0.000 1.244 942 L HN 0.668 nan 8.230 nan 0.000 0.435 943 E N 2.671 122.862 120.200 -0.015 0.000 2.151 943 E HA 0.487 4.837 4.350 -0.000 0.000 0.275 943 E C -0.770 175.818 176.600 -0.020 0.000 0.936 943 E CA -0.408 55.982 56.400 -0.017 0.000 0.777 943 E CB 3.084 32.774 29.700 -0.017 0.000 1.108 943 E HN 0.139 nan 8.360 nan 0.000 0.401 944 V N 4.089 123.991 119.914 -0.020 0.000 2.769 944 V HA 0.458 4.578 4.120 -0.000 0.000 0.312 944 V C -0.631 175.449 176.094 -0.024 0.000 1.061 944 V CA -0.798 61.489 62.300 -0.022 0.000 0.931 944 V CB 1.908 33.719 31.823 -0.020 0.000 1.010 944 V HN 0.447 nan 8.190 nan 0.000 0.433 945 I N 5.518 126.071 120.570 -0.027 0.000 2.420 945 I HA 0.402 4.572 4.170 -0.000 0.000 0.282 945 I C 0.034 176.132 176.117 -0.032 0.000 1.019 945 I CA -0.770 60.512 61.300 -0.030 0.000 1.130 945 I CB 1.507 39.487 38.000 -0.033 0.000 1.262 945 I HN 0.395 nan 8.210 nan 0.000 0.454 946 K N 4.268 124.649 120.400 -0.031 0.000 2.414 946 K HA 0.428 4.748 4.320 -0.000 0.000 0.272 946 K C 0.266 176.842 176.600 -0.041 0.000 0.993 946 K CA -0.316 55.952 56.287 -0.032 0.000 0.964 946 K CB 0.259 32.742 32.500 -0.029 0.000 0.925 946 K HN 0.626 nan 8.250 nan 0.000 0.487 947 A N 4.035 126.829 122.820 -0.042 0.000 2.540 947 A HA -0.026 4.294 4.320 -0.000 0.000 0.264 947 A C 0.091 177.635 177.584 -0.067 0.000 1.080 947 A CA 0.014 52.018 52.037 -0.055 0.000 0.776 947 A CB -0.486 18.484 19.000 -0.050 0.000 1.011 947 A HN 0.573 nan 8.150 nan 0.000 0.514 948 R N 2.176 122.625 120.500 -0.085 0.000 2.537 948 R HA 0.066 4.406 4.340 -0.000 0.000 0.281 948 R C 0.147 176.383 176.300 -0.108 0.000 0.988 948 R CA 0.501 56.545 56.100 -0.093 0.000 1.077 948 R CB 0.261 30.493 30.300 -0.114 0.000 0.932 948 R HN 0.715 nan 8.270 nan 0.000 0.409 949 K N 2.832 123.187 120.400 -0.075 0.000 2.440 949 K HA 0.101 4.421 4.320 -0.000 0.000 0.270 949 K C 0.176 176.727 176.600 -0.083 0.000 0.980 949 K CA 0.230 56.479 56.287 -0.062 0.000 0.953 949 K CB 0.425 32.905 32.500 -0.032 0.000 0.925 949 K HN 0.364 nan 8.250 nan 0.000 0.497 950 L N -0.106 121.080 121.223 -0.061 0.000 3.317 950 L HA 0.243 4.583 4.340 -0.000 0.000 0.224 950 L C -0.692 176.215 176.870 0.061 0.000 1.944 950 L CA -0.956 53.866 54.840 -0.030 0.000 1.937 950 L CB 0.684 42.638 42.059 -0.174 0.000 1.936 950 L HN 0.632 nan 8.230 nan 0.000 0.556 951 D N 0.002 120.470 120.400 0.112 0.000 3.110 951 D HA -0.132 4.508 4.640 -0.000 0.000 0.214 951 D C -0.120 176.237 176.300 0.095 0.000 1.112 951 D CA 1.041 55.096 54.000 0.092 0.000 0.927 951 D CB -1.412 39.415 40.800 0.046 0.000 1.095 951 D HN 0.708 nan 8.370 nan 0.000 0.429 952 D N -0.366 120.116 120.400 0.137 0.000 2.340 952 D HA 0.055 4.695 4.640 -0.000 0.000 0.217 952 D C 1.033 177.383 176.300 0.084 0.000 1.081 952 D CA -0.224 53.830 54.000 0.089 0.000 0.842 952 D CB 0.257 41.101 40.800 0.073 0.000 0.934 952 D HN 0.323 nan 8.370 nan 0.000 0.511 953 R N 0.267 120.863 120.500 0.160 0.000 2.747 953 R HA 0.375 4.715 4.340 -0.000 0.000 0.278 953 R C -0.571 175.782 176.300 0.089 0.000 1.153 953 R CA -0.385 55.820 56.100 0.175 0.000 1.206 953 R CB 0.588 31.052 30.300 0.273 0.000 1.161 953 R HN -0.112 nan 8.270 nan 0.000 0.589 954 V N 1.959 121.924 119.914 0.086 0.000 2.769 954 V HA 0.435 4.555 4.120 -0.000 0.000 0.312 954 V C -2.182 173.949 176.094 0.061 0.000 1.061 954 V CA -2.057 60.275 62.300 0.055 0.000 0.931 954 V CB 1.481 33.325 31.823 0.036 0.000 1.010 954 V HN 0.867 nan 8.190 nan 0.000 0.433 955 P HA 0.155 nan 4.420 nan 0.000 0.272 955 P C -0.430 176.893 177.300 0.037 0.000 1.230 955 P CA 0.154 63.277 63.100 0.039 0.000 0.788 955 P CB 0.373 32.090 31.700 0.028 0.000 0.949 956 D N -1.476 118.944 120.400 0.034 0.000 2.713 956 D HA -0.150 4.490 4.640 -0.000 0.000 0.231 956 D C 0.557 176.877 176.300 0.035 0.000 1.173 956 D CA 1.389 55.407 54.000 0.030 0.000 0.628 956 D CB -1.765 39.048 40.800 0.021 0.000 1.033 956 D HN 0.582 nan 8.370 nan 0.000 0.419 957 T N -3.670 110.914 114.554 0.049 0.000 2.936 957 T HA 0.521 4.871 4.350 -0.000 0.000 0.282 957 T C 0.373 175.113 174.700 0.066 0.000 1.003 957 T CA -0.946 61.187 62.100 0.054 0.000 1.005 957 T CB 2.624 71.532 68.868 0.067 0.000 1.097 957 T HN -0.031 nan 8.240 nan 0.000 0.532 958 E N -0.229 120.009 120.200 0.063 0.000 2.438 958 E HA 0.400 4.750 4.350 -0.000 0.000 0.261 958 E C -0.887 175.783 176.600 0.118 0.000 1.103 958 E CA 0.175 56.617 56.400 0.071 0.000 0.959 958 E CB 0.163 29.895 29.700 0.053 0.000 0.958 958 E HN 0.593 nan 8.360 nan 0.000 0.447 959 I N 2.580 123.219 120.570 0.115 0.000 2.651 959 I HA 0.145 4.315 4.170 -0.000 0.000 0.287 959 I C -1.356 174.841 176.117 0.134 0.000 1.244 959 I CA -0.420 60.967 61.300 0.145 0.000 1.061 959 I CB 1.862 39.914 38.000 0.087 0.000 1.286 959 I HN 0.501 nan 8.210 nan 0.000 0.434 960 E N 5.094 125.416 120.200 0.202 0.000 2.220 960 E HA 0.467 4.817 4.350 -0.000 0.000 0.256 960 E C -0.931 175.802 176.600 0.222 0.000 0.881 960 E CA -0.455 56.061 56.400 0.193 0.000 0.766 960 E CB 1.400 31.215 29.700 0.193 0.000 1.187 960 E HN 0.499 nan 8.360 nan 0.000 0.419 961 T N 2.185 116.818 114.554 0.131 0.000 2.788 961 T HA 0.444 4.794 4.350 -0.000 0.000 0.296 961 T C -0.154 174.605 174.700 0.098 0.000 1.009 961 T CA -1.020 61.137 62.100 0.096 0.000 0.949 961 T CB 0.904 69.792 68.868 0.032 0.000 0.946 961 T HN 0.272 nan 8.240 nan 0.000 0.453 962 K N 3.641 124.117 120.400 0.128 0.000 2.258 962 K HA 0.441 4.761 4.320 -0.000 0.000 0.284 962 K C -0.567 176.077 176.600 0.074 0.000 1.051 962 K CA -0.586 55.772 56.287 0.119 0.000 0.923 962 K CB 1.427 34.033 32.500 0.178 0.000 1.046 962 K HN 0.660 nan 8.250 nan 0.000 0.474 963 I N 4.450 125.053 120.570 0.054 0.000 2.377 963 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 963 I C -0.533 175.610 176.117 0.043 0.000 0.987 963 I CA -0.671 60.645 61.300 0.027 0.000 1.185 963 I CB 0.957 38.954 38.000 -0.004 0.000 1.341 963 I HN 0.527 nan 8.210 nan 0.000 0.455 964 I N 8.627 129.219 120.570 0.037 0.000 2.576 964 I HA 0.313 4.483 4.170 -0.000 0.000 0.279 964 I C -0.647 175.497 176.117 0.045 0.000 1.114 964 I CA -0.317 61.017 61.300 0.056 0.000 1.076 964 I CB 1.030 39.066 38.000 0.060 0.000 1.212 964 I HN 0.391 nan 8.210 nan 0.000 0.472 965 I N 4.377 124.986 120.570 0.064 0.000 2.525 965 I HA 0.718 4.888 4.170 -0.000 0.000 0.301 965 I C -0.796 175.359 176.117 0.063 0.000 0.992 965 I CA -0.451 60.883 61.300 0.056 0.000 1.162 965 I CB 1.863 39.898 38.000 0.059 0.000 1.332 965 I HN 0.569 nan 8.210 nan 0.000 0.458 966 Q N 3.725 123.547 119.800 0.037 0.000 2.327 966 Q HA 0.561 4.901 4.340 -0.000 0.000 0.265 966 Q C -0.896 175.108 176.000 0.007 0.000 0.993 966 Q CA -0.883 54.934 55.803 0.024 0.000 0.885 966 Q CB 1.571 30.317 28.738 0.013 0.000 1.379 966 Q HN 0.975 nan 8.270 nan 0.000 0.408 967 G N 1.962 110.763 108.800 0.001 0.000 2.491 967 G HA2 0.246 4.206 3.960 -0.000 0.000 0.238 967 G HA3 0.246 4.206 3.960 -0.000 0.000 0.238 967 G C -0.731 174.152 174.900 -0.028 0.000 1.277 967 G CA -0.219 44.875 45.100 -0.009 0.000 0.851 967 G HN 0.653 nan 8.290 nan 0.000 0.573 968 D N 2.344 122.731 120.400 -0.022 0.000 2.313 968 D HA 0.355 4.995 4.640 -0.000 0.000 0.239 968 D C -1.668 174.611 176.300 -0.035 0.000 1.142 968 D CA -0.778 53.204 54.000 -0.029 0.000 0.847 968 D CB 1.534 42.325 40.800 -0.016 0.000 1.082 968 D HN 0.103 nan 8.370 nan 0.000 0.480 1272 D N 2.061 122.548 120.400 0.146 0.000 2.358 1272 D HA 0.382 5.022 4.640 -0.000 0.000 0.253 1272 D C -1.307 175.057 176.300 0.106 0.000 1.288 1272 D CA -0.519 53.565 54.000 0.140 0.000 0.950 1272 D CB 0.498 41.343 40.800 0.075 0.000 1.197 1272 D HN 0.385 nan 8.370 nan 0.000 0.550 1273 L N 1.499 122.792 121.223 0.117 0.000 2.334 1273 L HA 0.742 5.082 4.340 -0.000 0.000 0.272 1273 L C -0.574 176.339 176.870 0.072 0.000 1.020 1273 L CA -0.537 54.348 54.840 0.074 0.000 0.812 1273 L CB 1.664 43.753 42.059 0.051 0.000 1.264 1273 L HN 0.212 nan 8.230 nan 0.000 0.439 1274 N N 2.560 121.291 118.700 0.053 0.000 2.572 1274 N HA 0.450 5.190 4.740 -0.000 0.000 0.287 1274 N C -2.103 173.431 175.510 0.040 0.000 1.136 1274 N CA -0.243 52.837 53.050 0.049 0.000 0.900 1274 N CB 1.562 40.077 38.487 0.047 0.000 1.484 1274 N HN 0.741 nan 8.380 nan 0.000 0.526 1275 L N 2.233 123.481 121.223 0.041 0.000 2.343 1275 L HA 0.357 4.697 4.340 -0.000 0.000 0.278 1275 L C -0.278 176.619 176.870 0.046 0.000 0.996 1275 L CA -0.790 54.074 54.840 0.039 0.000 0.831 1275 L CB 1.760 43.842 42.059 0.037 0.000 1.232 1275 L HN 0.402 nan 8.230 nan 0.000 0.413 1276 D N 3.683 124.107 120.400 0.040 0.000 2.308 1276 D HA 0.442 5.082 4.640 -0.000 0.000 0.251 1276 D C -0.903 175.421 176.300 0.040 0.000 1.127 1276 D CA 0.241 54.267 54.000 0.043 0.000 0.876 1276 D CB 1.190 42.010 40.800 0.033 0.000 1.176 1276 D HN 0.380 nan 8.370 nan 0.000 0.446 1277 I N 2.561 123.161 120.570 0.051 0.000 2.569 1277 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 1277 I C -0.844 175.270 176.117 -0.005 0.000 1.088 1277 I CA -0.391 60.924 61.300 0.025 0.000 1.047 1277 I CB 2.007 40.026 38.000 0.032 0.000 1.237 1277 I HN 0.233 nan 8.210 nan 0.000 0.421 1278 T N 7.437 121.974 114.554 -0.029 0.000 2.888 1278 T HA 0.590 4.940 4.350 -0.000 0.000 0.284 1278 T C -0.942 173.707 174.700 -0.084 0.000 1.017 1278 T CA -0.425 61.645 62.100 -0.050 0.000 1.022 1278 T CB 1.419 70.270 68.868 -0.028 0.000 1.013 1278 T HN 0.264 nan 8.240 nan 0.000 0.465 1279 I N 2.996 123.502 120.570 -0.108 0.000 2.500 1279 I HA 0.412 4.582 4.170 -0.000 0.000 0.286 1279 I C -0.813 175.253 176.117 -0.084 0.000 1.063 1279 I CA -0.784 60.445 61.300 -0.119 0.000 1.062 1279 I CB 1.761 39.639 38.000 -0.204 0.000 1.223 1279 I HN 0.743 nan 8.210 nan 0.000 0.435 1280 E N 7.454 127.618 120.200 -0.061 0.000 2.272 1280 E HA 0.751 5.101 4.350 -0.000 0.000 0.269 1280 E C -1.421 175.156 176.600 -0.037 0.000 0.877 1280 E CA -0.681 55.692 56.400 -0.044 0.000 0.755 1280 E CB 3.032 32.712 29.700 -0.033 0.000 1.192 1280 E HN 0.383 nan 8.360 nan 0.000 0.422 1281 L N 1.554 122.758 121.223 -0.031 0.000 2.424 1281 L HA 0.467 4.807 4.340 -0.000 0.000 0.258 1281 L C -2.167 174.691 176.870 -0.020 0.000 0.995 1281 L CA -2.262 52.562 54.840 -0.026 0.000 0.821 1281 L CB 1.440 43.484 42.059 -0.025 0.000 1.383 1281 L HN 0.253 nan 8.230 nan 0.000 0.410 1282 P HA -0.181 nan 4.420 nan 0.000 0.216 1282 P C 0.684 177.977 177.300 -0.011 0.000 1.154 1282 P CA 1.301 64.393 63.100 -0.013 0.000 0.865 1282 P CB 0.234 31.926 31.700 -0.013 0.000 0.789 1283 D N -1.234 119.159 120.400 -0.012 0.000 2.968 1283 D HA -0.218 4.422 4.640 -0.000 0.000 0.215 1283 D C 1.156 177.451 176.300 -0.008 0.000 1.086 1283 D CA 1.767 55.762 54.000 -0.009 0.000 0.891 1283 D CB -0.197 40.597 40.800 -0.010 0.000 1.019 1283 D HN 0.087 nan 8.370 nan 0.000 0.494 1284 R N -0.975 119.519 120.500 -0.009 0.000 2.905 1284 R HA 0.388 4.728 4.340 -0.000 0.000 0.260 1284 R C 0.536 176.830 176.300 -0.009 0.000 1.086 1284 R CA -0.364 55.731 56.100 -0.008 0.000 0.978 1284 R CB 0.862 31.159 30.300 -0.006 0.000 1.215 1284 R HN -0.067 nan 8.270 nan 0.000 0.480 1285 E N -0.085 120.111 120.200 -0.007 0.000 2.057 1285 E HA 0.132 4.482 4.350 -0.000 0.000 0.190 1285 E C -0.223 176.373 176.600 -0.008 0.000 0.969 1285 E CA 0.467 56.862 56.400 -0.007 0.000 0.812 1285 E CB 0.313 30.010 29.700 -0.005 0.000 0.777 1285 E HN 0.273 nan 8.360 nan 0.000 0.455 1286 V N 5.503 125.414 119.914 -0.005 0.000 2.382 1286 V HA 0.042 4.162 4.120 -0.000 0.000 0.250 1286 V C -1.914 174.176 176.094 -0.007 0.000 1.069 1286 V CA -0.636 61.662 62.300 -0.004 0.000 1.130 1286 V CB -0.572 31.252 31.823 0.001 0.000 1.165 1286 V HN 0.276 nan 8.190 nan 0.000 0.483 1287 P HA 0.343 nan 4.420 nan 0.000 0.274 1287 P C -0.211 177.073 177.300 -0.027 0.000 1.237 1287 P CA -0.412 62.673 63.100 -0.025 0.000 0.793 1287 P CB 1.227 32.910 31.700 -0.028 0.000 0.977 1288 I N 0.795 121.331 120.570 -0.058 0.000 2.532 1288 I HA 0.399 4.569 4.170 -0.000 0.000 0.292 1288 I C 1.036 177.101 176.117 -0.087 0.000 1.014 1288 I CA -0.512 60.746 61.300 -0.069 0.000 1.340 1288 I CB 0.584 38.491 38.000 -0.155 0.000 1.422 1288 I HN 0.287 nan 8.210 nan 0.000 0.528 1289 R N 4.064 124.571 120.500 0.012 0.000 2.532 1289 R HA 0.473 4.813 4.340 -0.000 0.000 0.297 1289 R C -1.809 174.681 176.300 0.317 0.000 0.984 1289 R CA -0.579 55.557 56.100 0.060 0.000 0.884 1289 R CB 1.505 31.842 30.300 0.062 0.000 1.182 1289 R HN 0.409 nan 8.270 nan 0.000 0.442 1290 Y N 1.713 122.015 120.300 0.003 0.000 2.509 1290 Y HA 0.508 5.058 4.550 -0.000 0.000 0.341 1290 Y C -0.021 175.884 175.900 0.007 0.000 1.038 1290 Y CA -1.383 56.719 58.100 0.005 0.000 1.089 1290 Y CB 1.790 40.252 38.460 0.005 0.000 1.241 1290 Y HN 0.471 nan 8.280 nan 0.000 0.468 1291 R N 1.653 122.242 120.500 0.149 0.000 2.562 1291 R HA 0.725 5.065 4.340 -0.000 0.000 0.298 1291 R C -1.847 174.488 176.300 0.058 0.000 0.961 1291 R CA -0.532 55.618 56.100 0.084 0.000 0.881 1291 R CB 1.027 31.357 30.300 0.050 0.000 1.159 1291 R HN 0.607 nan 8.270 nan 0.000 0.450 1292 I N 3.466 124.071 120.570 0.059 0.000 2.608 1292 I HA 0.471 4.641 4.170 -0.000 0.000 0.295 1292 I C -1.097 175.047 176.117 0.045 0.000 1.049 1292 I CA -0.355 60.971 61.300 0.043 0.000 1.063 1292 I CB 2.067 40.094 38.000 0.046 0.000 1.248 1292 I HN 0.953 nan 8.210 nan 0.000 0.424 1293 N N 3.399 122.128 118.700 0.047 0.000 3.506 1293 N HA 0.205 4.945 4.740 -0.000 0.000 0.331 1293 N C -0.014 175.555 175.510 0.098 0.000 1.631 1293 N CA -0.678 52.419 53.050 0.079 0.000 0.786 1293 N CB 0.207 38.747 38.487 0.088 0.000 2.023 1293 N HN 0.423 nan 8.380 nan 0.000 0.621 1294 Y N -0.068 120.252 120.300 0.033 0.000 2.509 1294 Y HA 0.067 4.617 4.550 -0.000 0.000 0.293 1294 Y C 1.277 177.209 175.900 0.053 0.000 1.133 1294 Y CA 1.260 59.388 58.100 0.045 0.000 1.283 1294 Y CB 0.206 38.695 38.460 0.049 0.000 1.001 1294 Y HN 0.537 nan 8.280 nan 0.000 0.555 1295 E N 0.389 120.718 120.200 0.215 0.000 2.150 1295 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 1295 E C 0.657 177.302 176.600 0.075 0.000 0.985 1295 E CA 1.624 58.119 56.400 0.158 0.000 0.814 1295 E CB -0.155 29.610 29.700 0.108 0.000 0.752 1295 E HN 0.832 nan 8.360 nan 0.000 0.466 1296 N N -2.433 116.282 118.700 0.025 0.000 2.286 1296 N HA 0.324 5.064 4.740 -0.000 0.000 0.245 1296 N C 0.904 176.394 175.510 -0.032 0.000 1.363 1296 N CA 0.453 53.501 53.050 -0.004 0.000 0.822 1296 N CB 0.395 38.879 38.487 -0.004 0.000 1.345 1296 N HN 0.045 nan 8.380 nan 0.000 0.494 1297 A N 0.966 123.746 122.820 -0.067 0.000 1.882 1297 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 1297 A C 1.071 178.613 177.584 -0.069 0.000 1.253 1297 A CA 1.011 52.999 52.037 -0.082 0.000 0.664 1297 A CB -0.688 18.212 19.000 -0.168 0.000 0.838 1297 A HN 0.366 nan 8.150 nan 0.000 0.460 1298 L N 0.375 121.540 121.223 -0.096 0.000 2.400 1298 L HA 0.311 4.651 4.340 -0.000 0.000 0.262 1298 L C -0.422 176.433 176.870 -0.025 0.000 1.309 1298 L CA 0.640 55.442 54.840 -0.064 0.000 1.186 1298 L CB -0.807 41.199 42.059 -0.089 0.000 1.375 1298 L HN 0.476 nan 8.230 nan 0.000 0.433 1299 L N 1.853 123.070 121.223 -0.010 0.000 2.393 1299 L HA 0.660 5.000 4.340 -0.000 0.000 0.260 1299 L C -0.106 176.776 176.870 0.021 0.000 1.002 1299 L CA -0.446 54.398 54.840 0.007 0.000 0.818 1299 L CB 2.052 44.105 42.059 -0.010 0.000 1.369 1299 L HN 0.347 nan 8.230 nan 0.000 0.412 1300 A N 3.344 126.183 122.820 0.032 0.000 2.457 1300 A HA 0.513 4.833 4.320 -0.000 0.000 0.298 1300 A C -0.431 177.187 177.584 0.057 0.000 1.288 1300 A CA -0.362 51.703 52.037 0.048 0.000 0.956 1300 A CB -0.476 18.557 19.000 0.054 0.000 1.135 1300 A HN 0.471 nan 8.150 nan 0.000 0.535 1301 R N 3.217 123.781 120.500 0.107 0.000 2.666 1301 R HA 0.281 4.621 4.340 -0.000 0.000 0.275 1301 R C -0.782 175.674 176.300 0.261 0.000 1.266 1301 R CA -0.139 56.102 56.100 0.234 0.000 1.401 1301 R CB -0.498 30.006 30.300 0.339 0.000 1.145 1301 R HN 0.552 nan 8.270 nan 0.000 0.581 1302 T N 0.135 114.818 114.554 0.216 0.000 2.829 1302 T HA 0.513 4.863 4.350 -0.000 0.000 0.282 1302 T C -0.262 174.540 174.700 0.171 0.000 0.990 1302 T CA -0.616 61.582 62.100 0.164 0.000 1.028 1302 T CB 2.227 71.180 68.868 0.141 0.000 0.951 1302 T HN 0.127 nan 8.240 nan 0.000 0.460 1303 V N 2.923 122.897 119.914 0.100 0.000 2.851 1303 V HA 0.529 4.649 4.120 -0.000 0.000 0.307 1303 V C -1.284 174.839 176.094 0.047 0.000 1.129 1303 V CA -0.793 61.547 62.300 0.067 0.000 0.932 1303 V CB 2.026 33.855 31.823 0.010 0.000 1.024 1303 V HN 1.001 nan 8.190 nan 0.000 0.426 1304 E N 3.541 123.772 120.200 0.051 0.000 2.221 1304 E HA 0.681 5.031 4.350 -0.000 0.000 0.268 1304 E C -1.267 175.355 176.600 0.036 0.000 0.933 1304 E CA -0.557 55.876 56.400 0.054 0.000 0.809 1304 E CB 2.393 32.136 29.700 0.072 0.000 1.190 1304 E HN 0.469 nan 8.360 nan 0.000 0.406 1305 T N 1.329 115.905 114.554 0.037 0.000 2.933 1305 T HA 0.350 4.700 4.350 -0.000 0.000 0.305 1305 T C -0.493 174.228 174.700 0.036 0.000 1.092 1305 T CA -0.691 61.425 62.100 0.026 0.000 1.008 1305 T CB 1.054 69.928 68.868 0.010 0.000 1.102 1305 T HN 0.394 nan 8.240 nan 0.000 0.469 1306 K N 2.645 123.064 120.400 0.031 0.000 3.101 1306 K HA 0.460 4.780 4.320 -0.000 0.000 0.229 1306 K C -0.962 175.654 176.600 0.028 0.000 1.232 1306 K CA -0.324 55.986 56.287 0.037 0.000 1.210 1306 K CB 0.166 32.685 32.500 0.033 0.000 1.284 1306 K HN 0.227 nan 8.250 nan 0.000 0.448 1307 L N 1.056 122.291 121.223 0.019 0.000 2.795 1307 L HA 0.156 4.495 4.340 -0.000 0.000 0.260 1307 L C -1.547 175.320 176.870 -0.006 0.000 0.935 1307 L CA -0.684 54.160 54.840 0.007 0.000 0.985 1307 L CB 1.235 43.296 42.059 0.003 0.000 1.433 1307 L HN 0.188 nan 8.230 nan 0.000 0.447 1308 N N 4.915 123.602 118.700 -0.021 0.000 2.497 1308 N HA 0.411 5.151 4.740 -0.000 0.000 0.268 1308 N C -1.076 174.411 175.510 -0.038 0.000 1.171 1308 N CA 0.113 53.138 53.050 -0.041 0.000 0.948 1308 N CB 1.217 39.655 38.487 -0.082 0.000 1.069 1308 N HN 0.787 nan 8.380 nan 0.000 0.460 1309 Q N 0.408 120.187 119.800 -0.036 0.000 2.702 1309 Q HA 0.269 4.609 4.340 -0.000 0.000 0.289 1309 Q C -1.822 174.160 176.000 -0.031 0.000 0.923 1309 Q CA -0.963 54.822 55.803 -0.030 0.000 0.787 1309 Q CB 0.677 29.401 28.738 -0.022 0.000 1.476 1309 Q HN 0.377 nan 8.270 nan 0.000 0.402 1310 D N 1.690 122.073 120.400 -0.028 0.000 2.472 1310 D HA 0.131 4.771 4.640 -0.000 0.000 0.248 1310 D C -0.320 175.963 176.300 -0.028 0.000 1.174 1310 D CA 0.755 54.738 54.000 -0.028 0.000 0.883 1310 D CB 0.460 41.245 40.800 -0.024 0.000 1.149 1310 D HN 0.294 nan 8.370 nan 0.000 0.488 1311 I N 1.599 122.150 120.570 -0.031 0.000 2.428 1311 I HA 0.115 4.285 4.170 -0.000 0.000 0.296 1311 I C 0.856 176.954 176.117 -0.033 0.000 0.985 1311 I CA -0.066 61.214 61.300 -0.033 0.000 1.260 1311 I CB 1.477 39.456 38.000 -0.036 0.000 1.389 1311 I HN 0.100 nan 8.210 nan 0.000 0.484 1312 T N 5.222 119.754 114.554 -0.036 0.000 3.226 1312 T HA 0.340 4.690 4.350 -0.000 0.000 0.378 1312 T C -0.405 174.272 174.700 -0.039 0.000 1.380 1312 T CA -0.555 61.525 62.100 -0.033 0.000 1.396 1312 T CB 0.244 69.095 68.868 -0.028 0.000 1.044 1312 T HN 0.345 nan 8.240 nan 0.000 0.586 1313 V N 1.310 121.201 119.914 -0.039 0.000 2.530 1313 V HA 0.642 4.762 4.120 -0.000 0.000 0.282 1313 V C 0.241 176.317 176.094 -0.030 0.000 1.048 1313 V CA -0.474 61.800 62.300 -0.042 0.000 0.997 1313 V CB 0.802 32.602 31.823 -0.039 0.000 0.987 1313 V HN 0.654 nan 8.190 nan 0.000 0.477 1314 T N 4.257 118.794 114.554 -0.028 0.000 3.064 1314 T HA 0.637 4.987 4.350 -0.000 0.000 0.367 1314 T C 0.128 174.821 174.700 -0.011 0.000 1.202 1314 T CA 0.106 62.196 62.100 -0.017 0.000 1.133 1314 T CB 0.962 69.821 68.868 -0.015 0.000 1.074 1314 T HN 1.165 nan 8.240 nan 0.000 0.519 1315 A N 2.502 125.318 122.820 -0.006 0.000 2.391 1315 A HA 0.625 4.945 4.320 -0.000 0.000 0.316 1315 A C 0.530 178.117 177.584 0.006 0.000 1.381 1315 A CA -0.512 51.526 52.037 0.002 0.000 0.998 1315 A CB 0.191 19.193 19.000 0.003 0.000 1.147 1315 A HN 0.574 nan 8.150 nan 0.000 0.545 1316 S N 2.361 118.067 115.700 0.010 0.000 2.498 1316 S HA 0.752 5.222 4.470 -0.000 0.000 0.324 1316 S C 0.474 175.084 174.600 0.017 0.000 1.071 1316 S CA 0.361 58.567 58.200 0.011 0.000 1.113 1316 S CB 0.290 63.496 63.200 0.010 0.000 0.976 1316 S HN 1.614 nan 8.310 nan 0.000 0.462 1317 G N 3.880 112.690 108.800 0.017 0.000 2.539 1317 G HA2 0.304 4.264 3.960 -0.000 0.000 0.138 1317 G HA3 0.304 4.264 3.960 -0.000 0.000 0.138 1317 G C -1.044 173.868 174.900 0.020 0.000 1.148 1317 G CA -0.126 44.987 45.100 0.021 0.000 1.057 1317 G HN 0.540 nan 8.290 nan 0.000 0.511 1318 D N -1.112 119.301 120.400 0.023 0.000 2.119 1318 D HA 0.281 4.921 4.640 -0.000 0.000 0.311 1318 D C 1.364 177.679 176.300 0.024 0.000 1.155 1318 D CA 0.425 54.438 54.000 0.022 0.000 1.036 1318 D CB 0.276 41.091 40.800 0.025 0.000 1.855 1318 D HN 0.680 nan 8.370 nan 0.000 0.523 1319 G N 0.788 109.605 108.800 0.029 0.000 2.647 1319 G HA2 0.240 4.200 3.960 -0.000 0.000 0.271 1319 G HA3 0.240 4.200 3.960 -0.000 0.000 0.271 1319 G C -0.087 174.825 174.900 0.020 0.000 1.300 1319 G CA -0.215 44.902 45.100 0.028 0.000 0.997 1319 G HN -0.068 nan 8.290 nan 0.000 0.533 1320 K N -0.873 119.537 120.400 0.015 0.000 2.139 1320 K HA 0.681 5.001 4.320 -0.000 0.000 0.243 1320 K C -0.380 176.224 176.600 0.006 0.000 0.983 1320 K CA -0.403 55.890 56.287 0.009 0.000 0.890 1320 K CB 2.081 34.584 32.500 0.005 0.000 1.090 1320 K HN 0.654 nan 8.250 nan 0.000 0.445 1321 A N 0.723 123.546 122.820 0.004 0.000 2.589 1321 A HA 0.457 4.777 4.320 -0.000 0.000 0.296 1321 A C -1.211 176.374 177.584 0.001 0.000 1.062 1321 A CA -0.650 51.390 52.037 0.005 0.000 0.686 1321 A CB 1.809 20.818 19.000 0.014 0.000 1.282 1321 A HN 0.487 nan 8.150 nan 0.000 0.404 1322 T N 2.204 116.759 114.554 0.001 0.000 2.771 1322 T HA 0.570 4.920 4.350 -0.000 0.000 0.281 1322 T C -0.317 174.384 174.700 0.001 0.000 0.982 1322 T CA 0.026 62.124 62.100 -0.003 0.000 0.978 1322 T CB 0.617 69.480 68.868 -0.009 0.000 0.930 1322 T HN 0.630 nan 8.240 nan 0.000 0.447 1323 M N 3.732 123.330 119.600 -0.003 0.000 2.227 1323 M HA 0.460 4.940 4.480 -0.000 0.000 0.335 1323 M C -0.894 175.400 176.300 -0.010 0.000 1.053 1323 M CA -0.369 54.929 55.300 -0.003 0.000 0.973 1323 M CB 1.087 33.682 32.600 -0.009 0.000 1.623 1323 M HN 0.519 nan 8.290 nan 0.000 0.434 1324 T N 5.324 119.874 114.554 -0.006 0.000 2.833 1324 T HA 0.516 4.866 4.350 -0.000 0.000 0.297 1324 T C -0.223 174.471 174.700 -0.009 0.000 1.015 1324 T CA -0.522 61.571 62.100 -0.013 0.000 0.963 1324 T CB 0.409 69.269 68.868 -0.013 0.000 0.955 1324 T HN 0.581 nan 8.240 nan 0.000 0.449 1325 I N 4.187 124.744 120.570 -0.022 0.000 2.297 1325 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 1325 I C -0.159 175.933 176.117 -0.042 0.000 1.033 1325 I CA -0.742 60.544 61.300 -0.024 0.000 1.253 1325 I CB 0.978 38.959 38.000 -0.032 0.000 1.396 1325 I HN 0.376 nan 8.210 nan 0.000 0.476 1326 L N 7.277 128.481 121.223 -0.033 0.000 2.272 1326 L HA 0.513 4.853 4.340 -0.000 0.000 0.289 1326 L C -0.565 176.239 176.870 -0.110 0.000 1.032 1326 L CA 0.158 54.946 54.840 -0.087 0.000 0.810 1326 L CB 1.467 43.509 42.059 -0.029 0.000 1.205 1326 L HN 0.557 nan 8.230 nan 0.000 0.422 1327 T N 4.723 119.146 114.554 -0.219 0.000 2.885 1327 T HA 0.625 4.975 4.350 -0.000 0.000 0.285 1327 T C -1.028 173.527 174.700 -0.240 0.000 1.019 1327 T CA -0.234 61.781 62.100 -0.143 0.000 1.010 1327 T CB 1.551 70.356 68.868 -0.107 0.000 1.022 1327 T HN 0.282 nan 8.240 nan 0.000 0.466 1328 F N 2.549 122.597 119.950 0.163 0.000 2.556 1328 F HA 0.682 5.209 4.527 0.000 0.000 0.314 1328 F C -0.461 175.551 175.800 0.353 0.000 1.106 1328 F CA -0.908 57.236 58.000 0.240 0.000 0.911 1328 F CB 1.675 40.767 39.000 0.153 0.000 1.190 1328 F HN 0.717 nan 8.300 nan 0.000 0.448 1329 Y N -0.106 120.345 120.300 0.251 0.000 2.741 1329 Y HA 0.470 5.020 4.550 -0.000 0.000 0.339 1329 Y C -1.869 174.099 175.900 0.114 0.000 1.226 1329 Y CA -1.521 56.664 58.100 0.142 0.000 1.072 1329 Y CB 1.224 39.737 38.460 0.087 0.000 1.331 1329 Y HN 0.477 nan 8.280 nan 0.000 0.453 1330 N N 1.385 120.061 118.700 -0.040 0.000 2.400 1330 N HA 0.681 5.421 4.740 -0.000 0.000 0.288 1330 N C -0.883 174.521 175.510 -0.175 0.000 1.024 1330 N CA -0.453 52.515 53.050 -0.138 0.000 0.894 1330 N CB 2.225 40.696 38.487 -0.026 0.000 1.173 1330 N HN 0.852 nan 8.380 nan 0.000 0.487 1331 A N 1.503 124.189 122.820 -0.222 0.000 2.468 1331 A HA 0.750 5.070 4.320 -0.000 0.000 0.270 1331 A C -0.817 176.726 177.584 -0.068 0.000 1.217 1331 A CA -0.194 51.757 52.037 -0.142 0.000 0.908 1331 A CB 1.751 20.628 19.000 -0.204 0.000 1.423 1331 A HN 0.669 nan 8.150 nan 0.000 0.459 1332 Q N -1.023 118.754 119.800 -0.037 0.000 3.044 1332 Q HA 0.432 4.772 4.340 -0.000 0.000 0.299 1332 Q C -2.464 173.530 176.000 -0.011 0.000 0.896 1332 Q CA -0.407 55.382 55.803 -0.024 0.000 0.802 1332 Q CB -0.096 28.631 28.738 -0.018 0.000 1.649 1332 Q HN 0.818 nan 8.270 nan 0.000 0.483 1340 c N 4.328 122.949 118.600 0.035 0.000 3.191 1340 c HA -0.061 4.509 4.570 -0.000 0.000 0.304 1340 c C 0.310 174.430 174.090 0.050 0.000 0.921 1340 c CA 0.716 57.075 56.329 0.051 0.000 2.626 1340 c CB -2.465 40.073 42.510 0.047 0.000 1.508 1340 c HN 1.957 nan 8.230 nan 0.000 0.475 1341 N N 2.901 121.628 118.700 0.046 0.000 3.124 1341 N HA 0.622 5.362 4.740 -0.000 0.000 0.350 1341 N C 0.755 176.275 175.510 0.017 0.000 1.411 1341 N CA 0.215 53.268 53.050 0.005 0.000 0.729 1341 N CB 0.279 38.748 38.487 -0.031 0.000 1.379 1341 N HN 0.497 nan 8.380 nan 0.000 0.599 1342 K N -1.104 119.221 120.400 -0.125 0.000 7.382 1342 K HA -0.204 4.116 4.320 -0.000 0.000 0.476 1342 K C -0.610 175.679 176.600 -0.519 0.000 0.371 1342 K CA 1.860 57.947 56.287 -0.333 0.000 1.942 1342 K CB -1.602 30.865 32.500 -0.055 0.000 0.717 1342 K HN 0.608 nan 8.250 nan 0.000 0.835 1343 F N 0.510 120.439 119.950 -0.035 0.000 2.540 1343 F HA 0.386 4.913 4.527 0.000 0.000 0.317 1343 F C 0.796 176.650 175.800 0.090 0.000 1.104 1343 F CA -0.801 57.223 58.000 0.040 0.000 0.913 1343 F CB 1.576 40.628 39.000 0.087 0.000 1.170 1343 F HN 0.000 nan 8.300 nan 0.000 0.450 1344 H N 2.600 121.764 119.070 0.156 0.000 2.652 1344 H HA 0.515 5.071 4.556 -0.000 0.000 0.349 1344 H C -1.088 174.309 175.328 0.114 0.000 1.099 1344 H CA -0.550 55.555 56.048 0.096 0.000 1.417 1344 H CB 1.403 31.198 29.762 0.055 0.000 1.457 1344 H HN 0.472 nan 8.280 nan 0.000 0.568 1345 L N 4.918 126.211 121.223 0.117 0.000 2.617 1345 L HA 0.273 4.613 4.340 -0.000 0.000 0.259 1345 L C -1.611 175.226 176.870 -0.055 0.000 0.995 1345 L CA -0.614 54.240 54.840 0.024 0.000 0.899 1345 L CB 0.900 42.971 42.059 0.020 0.000 1.181 1345 L HN 0.560 nan 8.230 nan 0.000 0.437 1346 N N 2.591 121.239 118.700 -0.087 0.000 2.515 1346 N HA 0.750 5.490 4.740 -0.000 0.000 0.279 1346 N C -1.121 174.336 175.510 -0.088 0.000 1.164 1346 N CA -0.262 52.733 53.050 -0.092 0.000 0.982 1346 N CB 2.181 40.607 38.487 -0.101 0.000 1.170 1346 N HN 0.354 nan 8.380 nan 0.000 0.474 1347 V N 0.456 120.322 119.914 -0.080 0.000 2.655 1347 V HA 0.507 4.627 4.120 -0.000 0.000 0.301 1347 V C -0.539 175.503 176.094 -0.086 0.000 1.082 1347 V CA -0.720 61.510 62.300 -0.118 0.000 0.899 1347 V CB 1.510 33.246 31.823 -0.145 0.000 1.014 1347 V HN 0.868 nan 8.190 nan 0.000 0.429 1348 S N 3.785 119.409 115.700 -0.125 0.000 2.671 1348 S HA 0.955 5.425 4.470 -0.000 0.000 0.299 1348 S C -1.061 173.465 174.600 -0.123 0.000 1.116 1348 S CA -0.823 57.327 58.200 -0.083 0.000 0.912 1348 S CB 2.364 65.522 63.200 -0.070 0.000 1.130 1348 S HN 1.519 nan 8.310 nan 0.000 0.501 1349 V N 1.143 121.020 119.914 -0.062 0.000 2.903 1349 V HA 0.738 4.858 4.120 -0.000 0.000 0.289 1349 V C -2.476 173.605 176.094 -0.022 0.000 1.355 1349 V CA -0.084 62.180 62.300 -0.059 0.000 0.953 1349 V CB 1.568 33.397 31.823 0.009 0.000 1.102 1349 V HN 1.534 nan 8.190 nan 0.000 0.435 1350 E N 3.289 123.473 120.200 -0.027 0.000 2.398 1350 E HA 0.369 4.719 4.350 -0.000 0.000 0.280 1350 E C -1.395 175.208 176.600 0.004 0.000 1.122 1350 E CA -0.795 55.600 56.400 -0.009 0.000 0.873 1350 E CB 0.031 29.722 29.700 -0.015 0.000 1.294 1350 E HN 0.687 nan 8.360 nan 0.000 0.435 1351 N N 0.805 119.515 118.700 0.016 0.000 2.381 1351 N HA 0.538 5.278 4.740 -0.000 0.000 0.241 1351 N C -0.107 175.429 175.510 0.043 0.000 1.279 1351 N CA -0.002 53.073 53.050 0.042 0.000 0.896 1351 N CB 0.402 38.906 38.487 0.029 0.000 1.118 1351 N HN 0.552 nan 8.380 nan 0.000 0.438 1352 I N -0.874 119.745 120.570 0.081 0.000 2.775 1352 I HA 0.132 4.302 4.170 -0.000 0.000 0.295 1352 I C -1.144 175.074 176.117 0.167 0.000 1.287 1352 I CA -0.805 60.549 61.300 0.091 0.000 1.029 1352 I CB 1.941 39.978 38.000 0.062 0.000 1.282 1352 I HN 0.464 nan 8.210 nan 0.000 0.426 1353 H N 5.107 124.194 119.070 0.029 0.000 2.562 1353 H HA 0.678 5.234 4.556 0.000 0.000 0.314 1353 H C -1.183 174.164 175.328 0.032 0.000 1.079 1353 H CA 0.148 56.216 56.048 0.032 0.000 1.349 1353 H CB 1.377 31.152 29.762 0.023 0.000 1.432 1353 H HN 0.505 nan 8.280 nan 0.000 0.479 1361 G N 0.953 109.779 108.800 0.044 0.000 2.348 1361 G HA2 0.410 4.370 3.960 -0.000 0.000 0.606 1361 G HA3 0.410 4.370 3.960 -0.000 0.000 0.606 1361 G C -1.692 173.322 174.900 0.189 0.000 1.466 1361 G CA -0.272 44.918 45.100 0.150 0.000 0.950 1361 G HN 0.389 nan 8.290 nan 0.000 0.657 1362 A N 0.491 123.471 122.820 0.266 0.000 2.612 1362 A HA 1.114 5.434 4.320 -0.000 0.000 0.293 1362 A C -0.556 177.177 177.584 0.248 0.000 1.075 1362 A CA 0.052 52.250 52.037 0.268 0.000 0.680 1362 A CB 1.601 20.715 19.000 0.190 0.000 1.279 1362 A HN 2.519 nan 8.150 nan 0.000 0.411 1363 L N -1.561 119.788 121.223 0.210 0.000 2.720 1363 L HA 0.936 5.276 4.340 -0.000 0.000 0.261 1363 L C -1.341 175.568 176.870 0.064 0.000 1.046 1363 L CA -1.003 53.902 54.840 0.107 0.000 0.886 1363 L CB 1.814 43.909 42.059 0.060 0.000 1.493 1363 L HN 0.741 nan 8.230 nan 0.000 0.407 1364 M N 2.492 122.100 119.600 0.012 0.000 2.268 1364 M HA 0.595 5.075 4.480 -0.000 0.000 0.344 1364 M C -1.511 174.720 176.300 -0.115 0.000 1.106 1364 M CA -0.816 54.470 55.300 -0.024 0.000 1.010 1364 M CB 1.483 34.065 32.600 -0.030 0.000 1.649 1364 M HN 0.570 nan 8.290 nan 0.000 0.443 1365 L N 5.193 126.287 121.223 -0.215 0.000 2.296 1365 L HA 0.598 4.938 4.340 -0.000 0.000 0.286 1365 L C -1.045 175.578 176.870 -0.411 0.000 1.023 1365 L CA -0.116 54.462 54.840 -0.436 0.000 0.812 1365 L CB 1.120 42.721 42.059 -0.763 0.000 1.223 1365 L HN 0.821 nan 8.230 nan 0.000 0.421 1366 K N 6.091 126.291 120.400 -0.334 0.000 2.471 1366 K HA 0.629 4.949 4.320 -0.000 0.000 0.252 1366 K C -1.581 174.879 176.600 -0.234 0.000 0.938 1366 K CA -0.514 55.643 56.287 -0.217 0.000 0.796 1366 K CB 1.410 33.833 32.500 -0.129 0.000 1.161 1366 K HN 0.593 nan 8.250 nan 0.000 0.425 1367 I N 3.588 124.036 120.570 -0.203 0.000 2.436 1367 I HA 0.393 4.563 4.170 -0.000 0.000 0.289 1367 I C -0.695 175.364 176.117 -0.096 0.000 1.010 1367 I CA -1.076 60.120 61.300 -0.174 0.000 1.098 1367 I CB 1.807 39.683 38.000 -0.207 0.000 1.266 1367 I HN 0.547 nan 8.210 nan 0.000 0.434 1368 c N 3.790 122.344 118.600 -0.076 0.000 2.455 1368 c HA 0.841 5.411 4.570 -0.000 0.000 0.320 1368 c C 0.300 174.390 174.090 -0.001 0.000 1.226 1368 c CA -0.146 56.162 56.329 -0.035 0.000 1.569 1368 c CB 1.822 44.305 42.510 -0.046 0.000 2.200 1368 c HN 0.881 nan 8.230 nan 0.000 0.491 1369 T N 2.648 117.235 114.554 0.054 0.000 2.840 1369 T HA 0.713 5.063 4.350 -0.000 0.000 0.317 1369 T C -1.788 173.038 174.700 0.211 0.000 1.401 1369 T CA -0.549 61.636 62.100 0.142 0.000 1.028 1369 T CB 1.355 70.298 68.868 0.125 0.000 1.317 1369 T HN 0.900 nan 8.240 nan 0.000 0.495 1370 R N 2.715 123.405 120.500 0.317 0.000 2.572 1370 R HA 0.347 4.687 4.340 -0.000 0.000 0.273 1370 R C -1.812 174.611 176.300 0.204 0.000 1.168 1370 R CA -0.703 55.555 56.100 0.263 0.000 1.021 1370 R CB 0.879 31.282 30.300 0.172 0.000 1.249 1370 R HN 0.704 nan 8.270 nan 0.000 0.423 1371 Y N 3.745 124.017 120.300 -0.047 0.000 2.607 1371 Y HA 0.180 4.730 4.550 -0.000 0.000 0.348 1371 Y C -0.402 175.360 175.900 -0.229 0.000 1.261 1371 Y CA 0.700 58.511 58.100 -0.481 0.000 1.480 1371 Y CB 0.656 38.919 38.460 -0.328 0.000 1.358 1371 Y HN 0.574 nan 8.280 nan 0.000 0.630 1372 L N 5.297 126.205 121.223 -0.525 0.000 2.470 1372 L HA 0.385 4.725 4.340 -0.000 0.000 0.256 1372 L C 0.061 176.679 176.870 -0.420 0.000 1.357 1372 L CA -0.107 54.562 54.840 -0.284 0.000 0.902 1372 L CB 0.130 42.048 42.059 -0.235 0.000 1.121 1372 L HN 0.874 nan 8.230 nan 0.000 0.507 1373 G N 0.204 108.810 108.800 -0.323 0.000 2.940 1373 G HA2 0.259 4.219 3.960 -0.000 0.000 0.164 1373 G HA3 0.259 4.219 3.960 -0.000 0.000 0.164 1373 G C 0.178 175.010 174.900 -0.114 0.000 1.326 1373 G CA -0.050 44.937 45.100 -0.188 0.000 1.020 1373 G HN 0.407 nan 8.290 nan 0.000 0.586 1374 E N -1.492 118.614 120.200 -0.156 0.000 2.447 1374 E HA 0.247 4.597 4.350 -0.000 0.000 0.195 1374 E C 0.598 176.814 176.600 -0.641 0.000 1.028 1374 E CA 0.139 56.373 56.400 -0.276 0.000 0.876 1374 E CB 0.863 30.469 29.700 -0.157 0.000 0.885 1374 E HN 0.445 nan 8.360 nan 0.000 0.500 1375 V N -2.827 116.767 119.914 -0.533 0.000 3.188 1375 V HA 0.427 4.547 4.120 -0.000 0.000 0.305 1375 V C -1.011 174.963 176.094 -0.200 0.000 1.232 1375 V CA -1.486 60.521 62.300 -0.489 0.000 1.043 1375 V CB 1.918 33.601 31.823 -0.233 0.000 1.068 1375 V HN -0.274 nan 8.190 nan 0.000 0.439 1376 D N 2.756 123.131 120.400 -0.042 0.000 2.583 1376 D HA 0.256 4.896 4.640 -0.000 0.000 0.232 1376 D C 0.734 176.861 176.300 -0.288 0.000 1.128 1376 D CA 1.192 55.180 54.000 -0.021 0.000 0.859 1376 D CB 0.791 41.597 40.800 0.011 0.000 1.169 1376 D HN 1.079 nan 8.370 nan 0.000 0.481 1377 S N 1.562 116.956 115.700 -0.510 0.000 2.510 1377 S HA 0.178 4.648 4.470 -0.000 0.000 0.279 1377 S C 0.321 174.741 174.600 -0.301 0.000 1.284 1377 S CA -0.827 56.855 58.200 -0.864 0.000 1.059 1377 S CB 0.986 63.641 63.200 -0.909 0.000 0.901 1377 S HN 0.390 nan 8.310 nan 0.000 0.491 1378 T N 5.001 119.417 114.554 -0.230 0.000 2.913 1378 T HA 0.263 4.613 4.350 -0.000 0.000 0.297 1378 T C 0.607 175.303 174.700 -0.007 0.000 1.029 1378 T CA -0.487 61.571 62.100 -0.071 0.000 1.104 1378 T CB -0.244 68.625 68.868 0.002 0.000 0.964 1378 T HN 0.802 nan 8.240 nan 0.000 0.532 1379 M N 3.911 123.479 119.600 -0.053 0.000 3.740 1379 M HA -0.138 4.342 4.480 -0.000 0.000 0.160 1379 M C -0.011 176.278 176.300 -0.019 0.000 1.480 1379 M CA 0.870 56.088 55.300 -0.136 0.000 1.002 1379 M CB -2.435 29.941 32.600 -0.373 0.000 1.322 1379 M HN 0.864 nan 8.290 nan 0.000 0.434 1380 T N 2.918 117.510 114.554 0.063 0.000 2.949 1380 T HA 0.874 5.224 4.350 -0.000 0.000 0.287 1380 T C 0.505 175.293 174.700 0.147 0.000 1.034 1380 T CA -0.829 61.353 62.100 0.137 0.000 1.018 1380 T CB 2.417 71.353 68.868 0.113 0.000 1.135 1380 T HN 0.505 nan 8.240 nan 0.000 0.532 1381 I N 1.763 122.418 120.570 0.141 0.000 2.466 1381 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 1381 I C -1.071 174.931 176.117 -0.192 0.000 1.026 1381 I CA -0.984 60.340 61.300 0.040 0.000 1.078 1381 I CB 1.807 40.004 38.000 0.329 0.000 1.249 1381 I HN 0.335 nan 8.210 nan 0.000 0.429 1382 I N 5.143 125.572 120.570 -0.234 0.000 2.354 1382 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 1382 I C -0.276 175.678 176.117 -0.272 0.000 0.989 1382 I CA -0.202 60.946 61.300 -0.253 0.000 1.188 1382 I CB 1.326 39.236 38.000 -0.149 0.000 1.342 1382 I HN 0.486 nan 8.210 nan 0.000 0.457 1383 D N 7.841 128.059 120.400 -0.303 0.000 2.502 1383 D HA 0.567 5.207 4.640 -0.000 0.000 0.249 1383 D C -0.939 175.280 176.300 -0.135 0.000 1.092 1383 D CA -0.270 53.583 54.000 -0.244 0.000 0.839 1383 D CB 1.772 42.361 40.800 -0.352 0.000 1.264 1383 D HN 0.307 nan 8.370 nan 0.000 0.511 1384 I N 1.858 122.398 120.570 -0.050 0.000 2.533 1384 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 1384 I C 0.166 176.332 176.117 0.081 0.000 1.056 1384 I CA -0.941 60.378 61.300 0.031 0.000 1.057 1384 I CB 2.136 40.189 38.000 0.087 0.000 1.240 1384 I HN 0.252 nan 8.210 nan 0.000 0.423 1385 S N 6.649 122.433 115.700 0.139 0.000 2.525 1385 S HA 0.639 5.109 4.470 -0.000 0.000 0.290 1385 S C -0.406 174.322 174.600 0.214 0.000 1.152 1385 S CA -0.843 57.443 58.200 0.143 0.000 1.072 1385 S CB 1.604 64.875 63.200 0.118 0.000 1.027 1385 S HN 0.460 nan 8.310 nan 0.000 0.500 1386 M N 3.400 123.106 119.600 0.175 0.000 2.188 1386 M HA 0.354 4.834 4.480 -0.000 0.000 0.357 1386 M C -0.170 176.220 176.300 0.150 0.000 1.204 1386 M CA -0.602 54.831 55.300 0.222 0.000 1.095 1386 M CB 0.776 33.512 32.600 0.227 0.000 1.604 1386 M HN 0.727 nan 8.290 nan 0.000 0.464 1387 L N 2.159 123.436 121.223 0.091 0.000 2.536 1387 L HA -0.032 4.308 4.340 -0.000 0.000 0.294 1387 L C 0.855 177.885 176.870 0.266 0.000 1.257 1387 L CA 0.225 55.073 54.840 0.013 0.000 0.850 1387 L CB -0.463 41.516 42.059 -0.133 0.000 1.105 1387 L HN 0.669 nan 8.230 nan 0.000 0.517 1388 T N 1.273 115.906 114.554 0.130 0.000 2.934 1388 T HA 0.228 4.578 4.350 -0.000 0.000 0.306 1388 T C 1.158 175.988 174.700 0.216 0.000 1.042 1388 T CA 0.537 62.710 62.100 0.121 0.000 1.145 1388 T CB 0.695 69.573 68.868 0.017 0.000 0.982 1388 T HN 1.048 nan 8.240 nan 0.000 0.544 1389 G N 1.445 110.351 108.800 0.177 0.000 2.160 1389 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.251 1389 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.251 1389 G C -0.126 174.793 174.900 0.032 0.000 1.008 1389 G CA -0.282 44.949 45.100 0.219 0.000 0.724 1389 G HN 0.598 nan 8.290 nan 0.000 0.514 1390 F N -0.725 119.324 119.950 0.165 0.000 2.522 1390 F HA 0.831 5.358 4.527 0.000 0.000 0.324 1390 F C 0.514 176.384 175.800 0.116 0.000 1.077 1390 F CA -0.963 57.127 58.000 0.149 0.000 0.944 1390 F CB 1.811 40.900 39.000 0.148 0.000 1.175 1390 F HN -0.008 nan 8.300 nan 0.000 0.468 1391 L N 3.024 124.436 121.223 0.315 0.000 2.409 1391 L HA 0.530 4.870 4.340 -0.000 0.000 0.262 1391 L C -2.706 174.250 176.870 0.143 0.000 0.992 1391 L CA -2.262 52.679 54.840 0.168 0.000 0.817 1391 L CB 2.699 44.810 42.059 0.086 0.000 1.350 1391 L HN 0.300 nan 8.230 nan 0.000 0.411 1392 P HA 0.011 nan 4.420 nan 0.000 0.271 1392 P C -1.071 176.167 177.300 -0.104 0.000 1.216 1392 P CA -0.252 62.759 63.100 -0.148 0.000 0.776 1392 P CB 0.511 31.918 31.700 -0.488 0.000 0.881 1393 D N 3.109 123.479 120.400 -0.049 0.000 2.349 1393 D HA 0.019 4.659 4.640 -0.000 0.000 0.266 1393 D C 1.253 177.528 176.300 -0.041 0.000 1.293 1393 D CA 0.085 54.087 54.000 0.004 0.000 0.926 1393 D CB 0.827 41.671 40.800 0.073 0.000 1.090 1393 D HN 0.294 nan 8.370 nan 0.000 0.502 1394 A N 5.077 127.896 122.820 -0.001 0.000 1.909 1394 A HA -0.305 4.015 4.320 -0.000 0.000 0.221 1394 A C 1.961 179.577 177.584 0.054 0.000 1.223 1394 A CA 2.202 54.272 52.037 0.055 0.000 0.658 1394 A CB -0.647 18.407 19.000 0.091 0.000 0.831 1394 A HN 0.838 nan 8.150 nan 0.000 0.462 1395 E N -0.444 119.783 120.200 0.045 0.000 2.026 1395 E HA -0.327 4.023 4.350 -0.000 0.000 0.206 1395 E C 1.678 178.301 176.600 0.039 0.000 1.028 1395 E CA 1.911 58.338 56.400 0.045 0.000 0.845 1395 E CB -0.401 29.328 29.700 0.047 0.000 0.772 1395 E HN 0.534 nan 8.360 nan 0.000 0.462 1396 D N 0.074 120.499 120.400 0.042 0.000 2.116 1396 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 1396 D C 1.934 178.231 176.300 -0.006 0.000 0.998 1396 D CA 0.981 55.012 54.000 0.051 0.000 0.836 1396 D CB -0.338 40.535 40.800 0.121 0.000 0.951 1396 D HN 0.150 nan 8.370 nan 0.000 0.449 1397 L N 0.571 121.738 121.223 -0.093 0.000 2.043 1397 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 1397 L C 2.237 179.086 176.870 -0.035 0.000 1.075 1397 L CA 1.800 56.528 54.840 -0.187 0.000 0.752 1397 L CB -1.084 40.740 42.059 -0.392 0.000 0.891 1397 L HN 0.082 nan 8.230 nan 0.000 0.432 1398 T N -1.115 113.469 114.554 0.050 0.000 2.746 1398 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 1398 T C 2.007 176.727 174.700 0.032 0.000 1.039 1398 T CA 1.502 63.647 62.100 0.075 0.000 1.142 1398 T CB -0.336 68.573 68.868 0.068 0.000 0.866 1398 T HN 0.314 nan 8.240 nan 0.000 0.444 1399 R N 0.643 121.157 120.500 0.023 0.000 2.127 1399 R HA -0.034 4.306 4.340 -0.000 0.000 0.238 1399 R C 2.188 178.489 176.300 0.003 0.000 1.134 1399 R CA 1.047 57.157 56.100 0.018 0.000 0.975 1399 R CB -0.364 29.953 30.300 0.028 0.000 0.865 1399 R HN 0.417 nan 8.270 nan 0.000 0.447 1400 L N -0.225 120.993 121.223 -0.008 0.000 2.127 1400 L HA -0.070 4.270 4.340 -0.000 0.000 0.203 1400 L C 2.625 179.502 176.870 0.012 0.000 1.080 1400 L CA 1.123 55.957 54.840 -0.010 0.000 0.768 1400 L CB -0.600 41.451 42.059 -0.014 0.000 0.924 1400 L HN 0.263 nan 8.230 nan 0.000 0.444 1401 S N -0.144 115.565 115.700 0.016 0.000 2.402 1401 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 1401 S C 1.076 175.688 174.600 0.020 0.000 1.030 1401 S CA 0.826 59.038 58.200 0.019 0.000 1.003 1401 S CB -0.398 62.816 63.200 0.023 0.000 0.813 1401 S HN 0.139 nan 8.310 nan 0.000 0.477 1402 K N 2.876 123.287 120.400 0.019 0.000 2.351 1402 K HA 0.512 4.832 4.320 -0.000 0.000 0.287 1402 K C 0.306 176.925 176.600 0.032 0.000 1.068 1402 K CA 0.649 56.948 56.287 0.021 0.000 0.998 1402 K CB -0.204 32.306 32.500 0.017 0.000 0.968 1402 K HN 0.531 nan 8.250 nan 0.000 0.464 1403 G N -0.221 108.605 108.800 0.044 0.000 2.596 1403 G HA2 0.194 4.154 3.960 -0.000 0.000 0.296 1403 G HA3 0.194 4.154 3.960 -0.000 0.000 0.296 1403 G C -0.238 174.701 174.900 0.065 0.000 1.513 1403 G CA -0.872 44.259 45.100 0.052 0.000 0.851 1403 G HN 0.101 nan 8.290 nan 0.000 0.548 1404 V N 0.450 120.395 119.914 0.052 0.000 3.490 1404 V HA 0.200 4.320 4.120 -0.000 0.000 0.315 1404 V C 0.927 177.053 176.094 0.053 0.000 1.284 1404 V CA 1.141 63.471 62.300 0.051 0.000 1.233 1404 V CB -0.642 31.202 31.823 0.035 0.000 1.101 1404 V HN 0.835 nan 8.190 nan 0.000 0.425 1405 D N -0.756 119.684 120.400 0.067 0.000 2.368 1405 D HA 0.103 4.743 4.640 -0.000 0.000 0.305 1405 D C 0.538 176.895 176.300 0.094 0.000 1.143 1405 D CA -0.254 53.784 54.000 0.065 0.000 0.847 1405 D CB 0.567 41.395 40.800 0.046 0.000 1.357 1405 D HN 0.409 nan 8.370 nan 0.000 0.526 1406 R N -0.146 120.426 120.500 0.120 0.000 2.564 1406 R HA 0.551 4.891 4.340 -0.000 0.000 0.284 1406 R C -1.972 174.459 176.300 0.218 0.000 1.031 1406 R CA -0.685 55.508 56.100 0.155 0.000 0.904 1406 R CB 2.262 32.621 30.300 0.098 0.000 1.199 1406 R HN 0.105 nan 8.270 nan 0.000 0.443 1407 Y N 3.798 124.182 120.300 0.139 0.000 2.457 1407 Y HA 0.605 5.155 4.550 -0.000 0.000 0.343 1407 Y C -1.431 174.602 175.900 0.222 0.000 0.994 1407 Y CA -1.141 57.049 58.100 0.151 0.000 1.031 1407 Y CB 1.492 40.030 38.460 0.129 0.000 1.246 1407 Y HN 0.391 nan 8.280 nan 0.000 0.449 1408 I N 4.581 125.050 120.570 -0.167 0.000 2.499 1408 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 1408 I C -0.138 175.853 176.117 -0.211 0.000 1.048 1408 I CA -0.695 60.606 61.300 0.001 0.000 1.062 1408 I CB 1.702 39.719 38.000 0.028 0.000 1.238 1408 I HN 0.668 nan 8.210 nan 0.000 0.426 1409 S N 4.500 120.272 115.700 0.121 0.000 2.558 1409 S HA 0.114 4.584 4.470 -0.000 0.000 0.287 1409 S C 0.525 175.184 174.600 0.098 0.000 1.321 1409 S CA -0.190 58.085 58.200 0.126 0.000 1.048 1409 S CB 0.318 63.656 63.200 0.230 0.000 0.844 1409 S HN 0.452 nan 8.310 nan 0.000 0.512 1410 R N 1.412 121.914 120.500 0.004 0.000 2.756 1410 R HA 0.198 4.538 4.340 -0.000 0.000 0.264 1410 R C -0.843 175.480 176.300 0.039 0.000 1.026 1410 R CA 0.550 56.601 56.100 -0.082 0.000 1.121 1410 R CB -0.179 30.056 30.300 -0.107 0.000 0.999 1410 R HN 0.647 nan 8.270 nan 0.000 0.449 1411 Y N -0.793 119.472 120.300 -0.058 0.000 2.436 1411 Y HA 0.405 4.955 4.550 0.000 0.000 0.327 1411 Y C -1.035 174.834 175.900 -0.051 0.000 1.138 1411 Y CA -1.294 56.775 58.100 -0.052 0.000 1.042 1411 Y CB 0.896 39.319 38.460 -0.061 0.000 1.302 1411 Y HN 0.422 nan 8.280 nan 0.000 0.439 1412 E N 2.264 122.516 120.200 0.085 0.000 2.415 1412 E HA 0.318 4.668 4.350 -0.000 0.000 0.262 1412 E C -0.886 175.771 176.600 0.096 0.000 1.038 1412 E CA -0.157 56.261 56.400 0.029 0.000 0.921 1412 E CB 2.006 31.712 29.700 0.011 0.000 0.950 1412 E HN 0.553 nan 8.360 nan 0.000 0.438 1413 V N 2.786 122.721 119.914 0.034 0.000 2.588 1413 V HA 0.275 4.395 4.120 -0.000 0.000 0.304 1413 V C -0.693 175.416 176.094 0.026 0.000 1.042 1413 V CA -0.670 61.665 62.300 0.058 0.000 0.877 1413 V CB 2.185 34.037 31.823 0.049 0.000 0.996 1413 V HN 0.595 nan 8.190 nan 0.000 0.425 1414 D N 3.201 123.620 120.400 0.031 0.000 2.990 1414 D HA 0.345 4.985 4.640 -0.000 0.000 0.227 1414 D C -0.116 176.201 176.300 0.029 0.000 1.249 1414 D CA -0.488 53.525 54.000 0.022 0.000 0.891 1414 D CB 1.229 42.038 40.800 0.014 0.000 1.647 1414 D HN 0.524 nan 8.370 nan 0.000 0.530 1415 N N 2.996 121.712 118.700 0.027 0.000 2.705 1415 N HA -0.293 4.447 4.740 -0.000 0.000 0.255 1415 N C -0.178 175.354 175.510 0.037 0.000 1.008 1415 N CA 0.909 53.978 53.050 0.032 0.000 0.742 1415 N CB -0.841 37.668 38.487 0.037 0.000 0.906 1415 N HN 0.603 nan 8.380 nan 0.000 0.541 1416 N N -1.635 117.087 118.700 0.036 0.000 2.753 1416 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 1416 N C -1.123 174.415 175.510 0.047 0.000 1.097 1416 N CA 1.836 54.911 53.050 0.042 0.000 0.786 1416 N CB -0.779 37.732 38.487 0.039 0.000 1.137 1416 N HN 0.644 nan 8.380 nan 0.000 0.566 1417 M N 0.100 119.727 119.600 0.046 0.000 2.383 1417 M HA 0.622 5.102 4.480 -0.000 0.000 0.325 1417 M C 0.262 176.587 176.300 0.041 0.000 1.092 1417 M CA -0.663 54.661 55.300 0.040 0.000 0.961 1417 M CB 2.137 34.764 32.600 0.045 0.000 1.672 1417 M HN 0.146 nan 8.290 nan 0.000 0.438 1418 A N 1.857 124.679 122.820 0.003 0.000 2.331 1418 A HA 0.380 4.700 4.320 -0.000 0.000 0.283 1418 A C 0.465 178.041 177.584 -0.014 0.000 1.142 1418 A CA -0.557 51.486 52.037 0.010 0.000 0.812 1418 A CB 0.568 19.422 19.000 -0.244 0.000 1.074 1418 A HN 0.842 nan 8.150 nan 0.000 0.497 1419 Q N 1.152 120.968 119.800 0.027 0.000 2.373 1419 Q HA 0.042 4.382 4.340 -0.000 0.000 0.206 1419 Q C -0.218 175.762 176.000 -0.033 0.000 0.942 1419 Q CA 0.459 56.252 55.803 -0.016 0.000 0.953 1419 Q CB -0.047 28.677 28.738 -0.023 0.000 1.022 1419 Q HN 0.504 nan 8.270 nan 0.000 0.502 1420 K N 0.951 121.324 120.400 -0.045 0.000 2.350 1420 K HA 0.125 4.445 4.320 -0.000 0.000 0.279 1420 K C 0.954 177.541 176.600 -0.022 0.000 1.027 1420 K CA -0.047 56.213 56.287 -0.045 0.000 0.969 1420 K CB 1.598 34.041 32.500 -0.094 0.000 0.954 1420 K HN -0.150 nan 8.250 nan 0.000 0.474 1421 V N 0.689 120.608 119.914 0.009 0.000 3.644 1421 V HA 0.111 4.231 4.120 -0.000 0.000 0.267 1421 V C 0.524 176.653 176.094 0.060 0.000 1.277 1421 V CA 0.231 62.565 62.300 0.056 0.000 1.096 1421 V CB 0.261 32.140 31.823 0.093 0.000 0.828 1421 V HN 0.726 nan 8.190 nan 0.000 0.446 1422 A N 0.337 123.177 122.820 0.033 0.000 2.410 1422 A HA 0.699 5.019 4.320 -0.000 0.000 0.289 1422 A C -1.061 176.527 177.584 0.006 0.000 1.200 1422 A CA -0.292 51.766 52.037 0.035 0.000 0.751 1422 A CB 1.637 20.662 19.000 0.042 0.000 1.161 1422 A HN 0.019 nan 8.150 nan 0.000 0.459 1423 V N 5.961 125.869 119.914 -0.009 0.000 2.370 1423 V HA 0.508 4.628 4.120 -0.000 0.000 0.279 1423 V C -0.266 175.803 176.094 -0.041 0.000 1.029 1423 V CA -0.651 61.617 62.300 -0.053 0.000 0.870 1423 V CB 1.089 32.828 31.823 -0.141 0.000 0.984 1423 V HN 0.778 nan 8.190 nan 0.000 0.451 1424 I N 6.129 126.680 120.570 -0.033 0.000 2.498 1424 I HA 0.602 4.772 4.170 -0.000 0.000 0.301 1424 I C -0.629 175.415 176.117 -0.121 0.000 0.984 1424 I CA -0.773 60.452 61.300 -0.125 0.000 1.204 1424 I CB 1.585 39.497 38.000 -0.147 0.000 1.362 1424 I HN 0.430 nan 8.210 nan 0.000 0.471 1425 I N 6.304 126.716 120.570 -0.263 0.000 2.517 1425 I HA 0.264 4.434 4.170 -0.000 0.000 0.280 1425 I C -1.370 174.678 176.117 -0.116 0.000 1.061 1425 I CA -0.400 60.856 61.300 -0.074 0.000 1.091 1425 I CB 1.400 39.383 38.000 -0.028 0.000 1.205 1425 I HN 0.526 nan 8.210 nan 0.000 0.459 1426 Y N 6.612 127.034 120.300 0.203 0.000 2.367 1426 Y HA 0.459 5.009 4.550 -0.000 0.000 0.342 1426 Y C 0.297 176.285 175.900 0.147 0.000 0.979 1426 Y CA -0.899 57.322 58.100 0.202 0.000 1.161 1426 Y CB 0.959 39.558 38.460 0.232 0.000 1.155 1426 Y HN 0.298 nan 8.280 nan 0.000 0.503 1427 L N -0.012 121.331 121.223 0.200 0.000 2.319 1427 L HA 0.587 4.927 4.340 -0.000 0.000 0.267 1427 L C -0.041 176.873 176.870 0.073 0.000 1.011 1427 L CA -1.044 53.873 54.840 0.128 0.000 0.818 1427 L CB 1.353 43.464 42.059 0.088 0.000 1.316 1427 L HN 0.460 nan 8.230 nan 0.000 0.432 1428 N N 0.521 119.249 118.700 0.046 0.000 2.376 1428 N HA -0.027 4.713 4.740 -0.000 0.000 0.177 1428 N C -0.261 175.244 175.510 -0.009 0.000 1.024 1428 N CA 0.773 53.824 53.050 0.001 0.000 0.893 1428 N CB 0.201 38.690 38.487 0.003 0.000 0.980 1428 N HN 0.692 nan 8.380 nan 0.000 0.439 1429 K N -2.095 118.313 120.400 0.014 0.000 2.615 1429 K HA 0.604 4.924 4.320 -0.000 0.000 0.291 1429 K C -1.488 175.138 176.600 0.043 0.000 1.017 1429 K CA -0.834 55.458 56.287 0.008 0.000 0.882 1429 K CB 1.584 34.078 32.500 -0.010 0.000 1.522 1429 K HN -0.271 nan 8.250 nan 0.000 0.412 1430 V N 0.665 120.610 119.914 0.051 0.000 2.752 1430 V HA 0.409 4.529 4.120 -0.000 0.000 0.302 1430 V C -0.635 175.531 176.094 0.119 0.000 1.133 1430 V CA -0.930 61.438 62.300 0.113 0.000 0.919 1430 V CB 2.099 34.056 31.823 0.222 0.000 1.026 1430 V HN 0.852 nan 8.190 nan 0.000 0.429 1431 S N 2.929 118.696 115.700 0.111 0.000 2.566 1431 S HA 0.082 4.552 4.470 -0.000 0.000 0.280 1431 S C 1.046 175.745 174.600 0.166 0.000 1.343 1431 S CA -0.053 58.214 58.200 0.111 0.000 1.036 1431 S CB 0.058 63.275 63.200 0.028 0.000 0.866 1431 S HN 1.008 nan 8.310 nan 0.000 0.526 1432 H N 0.113 119.230 119.070 0.077 0.000 2.549 1432 H HA 0.343 4.899 4.556 -0.000 0.000 0.279 1432 H C 0.594 175.941 175.328 0.032 0.000 1.018 1432 H CA 0.140 56.232 56.048 0.072 0.000 1.175 1432 H CB -0.151 29.662 29.762 0.085 0.000 1.485 1432 H HN 0.390 nan 8.280 nan 0.000 0.543 1433 S N 0.425 115.866 115.700 -0.433 0.000 2.612 1433 S HA 0.120 4.590 4.470 -0.000 0.000 0.193 1433 S C 0.005 174.510 174.600 -0.159 0.000 0.898 1433 S CA -0.088 57.851 58.200 -0.435 0.000 0.872 1433 S CB 0.384 63.355 63.200 -0.382 0.000 0.843 1433 S HN 0.262 nan 8.310 nan 0.000 0.611 1434 E N 2.045 122.197 120.200 -0.080 0.000 2.202 1434 E HA 0.389 4.739 4.350 -0.000 0.000 0.272 1434 E C -1.487 175.124 176.600 0.019 0.000 0.951 1434 E CA -0.593 55.793 56.400 -0.023 0.000 0.813 1434 E CB 0.390 30.081 29.700 -0.015 0.000 1.151 1434 E HN 0.095 nan 8.360 nan 0.000 0.398 1435 D N 2.874 123.296 120.400 0.038 0.000 2.518 1435 D HA -0.079 4.561 4.640 -0.000 0.000 0.270 1435 D C -0.369 175.958 176.300 0.045 0.000 1.338 1435 D CA 0.697 54.731 54.000 0.057 0.000 0.983 1435 D CB 0.141 40.966 40.800 0.042 0.000 1.126 1435 D HN 0.314 nan 8.370 nan 0.000 0.543 1436 E N 1.238 121.475 120.200 0.061 0.000 2.289 1436 E HA 0.241 4.591 4.350 -0.000 0.000 0.278 1436 E C -0.567 176.057 176.600 0.040 0.000 1.032 1436 E CA -0.120 56.311 56.400 0.052 0.000 0.854 1436 E CB 1.366 31.105 29.700 0.066 0.000 1.046 1436 E HN 0.356 nan 8.360 nan 0.000 0.409 1437 c N 4.534 123.151 118.600 0.028 0.000 2.797 1437 c HA 0.666 5.236 4.570 -0.000 0.000 0.306 1437 c C -1.492 172.608 174.090 0.018 0.000 1.207 1437 c CA -0.635 55.704 56.329 0.016 0.000 1.507 1437 c CB 1.070 43.591 42.510 0.019 0.000 2.028 1437 c HN 0.661 nan 8.230 nan 0.000 0.475 1438 L N 2.638 123.857 121.223 -0.006 0.000 2.630 1438 L HA 0.893 5.233 4.340 -0.000 0.000 0.258 1438 L C -1.255 175.587 176.870 -0.046 0.000 1.072 1438 L CA -0.543 54.269 54.840 -0.046 0.000 0.885 1438 L CB 1.082 43.093 42.059 -0.081 0.000 1.502 1438 L HN 1.021 nan 8.230 nan 0.000 0.406 1439 H N -0.777 118.251 119.070 -0.069 0.000 3.094 1439 H HA 0.811 5.367 4.556 -0.000 0.000 0.346 1439 H C -1.533 173.783 175.328 -0.020 0.000 1.238 1439 H CA -0.864 55.095 56.048 -0.148 0.000 1.209 1439 H CB 1.253 30.957 29.762 -0.097 0.000 1.911 1439 H HN 0.912 nan 8.280 nan 0.000 0.540 1440 F N -1.198 118.798 119.950 0.077 0.000 2.668 1440 F HA 0.636 5.163 4.527 0.000 0.000 0.309 1440 F C -1.491 174.343 175.800 0.057 0.000 1.117 1440 F CA -1.394 56.640 58.000 0.057 0.000 0.951 1440 F CB 1.452 40.427 39.000 -0.043 0.000 1.323 1440 F HN 0.594 nan 8.300 nan 0.000 0.451 1441 K N 2.858 123.504 120.400 0.411 0.000 2.218 1441 K HA 0.642 4.962 4.320 -0.000 0.000 0.276 1441 K C -0.677 176.131 176.600 0.346 0.000 1.022 1441 K CA -0.622 55.831 56.287 0.277 0.000 0.946 1441 K CB 1.833 34.445 32.500 0.187 0.000 1.000 1441 K HN 0.822 nan 8.250 nan 0.000 0.468 1442 I N 1.581 122.317 120.570 0.277 0.000 2.545 1442 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 1442 I C -1.668 174.675 176.117 0.377 0.000 1.040 1442 I CA -1.107 60.383 61.300 0.316 0.000 1.068 1442 I CB 1.155 39.330 38.000 0.291 0.000 1.251 1442 I HN 0.275 nan 8.210 nan 0.000 0.424 1443 L N 5.138 126.612 121.223 0.419 0.000 2.301 1443 L HA 0.624 4.964 4.340 -0.000 0.000 0.264 1443 L C -0.248 176.763 176.870 0.235 0.000 1.016 1443 L CA -0.848 54.188 54.840 0.326 0.000 0.821 1443 L CB 1.206 43.370 42.059 0.176 0.000 1.346 1443 L HN 0.669 nan 8.230 nan 0.000 0.429 1444 K N -0.217 120.162 120.400 -0.036 0.000 2.118 1444 K HA 0.363 4.683 4.320 -0.000 0.000 0.254 1444 K C 0.542 177.082 176.600 -0.100 0.000 0.961 1444 K CA -0.381 55.666 56.287 -0.398 0.000 0.876 1444 K CB 1.215 33.427 32.500 -0.480 0.000 1.077 1444 K HN 0.780 nan 8.250 nan 0.000 0.440 1445 H N 2.597 121.557 119.070 -0.182 0.000 2.356 1445 H HA 0.153 4.709 4.556 -0.000 0.000 0.306 1445 H C -0.625 174.736 175.328 0.056 0.000 1.142 1445 H CA 0.171 56.210 56.048 -0.014 0.000 1.673 1445 H CB 0.011 29.804 29.762 0.052 0.000 1.505 1445 H HN 0.413 nan 8.280 nan 0.000 0.638 1446 F N 1.906 120.981 119.950 -1.458 0.000 2.482 1446 F HA 0.238 4.765 4.527 -0.000 0.000 0.331 1446 F C 1.111 176.636 175.800 -0.458 0.000 1.115 1446 F CA -0.904 56.581 58.000 -0.859 0.000 0.955 1446 F CB 1.959 40.439 39.000 -0.866 0.000 1.136 1446 F HN 0.281 nan 8.300 nan 0.000 0.452 1447 E N 3.226 123.025 120.200 -0.669 0.000 2.533 1447 E HA 0.008 4.358 4.350 -0.000 0.000 0.203 1447 E C -0.122 176.372 176.600 -0.177 0.000 1.101 1447 E CA 0.193 56.364 56.400 -0.381 0.000 0.894 1447 E CB -0.455 29.006 29.700 -0.399 0.000 0.843 1447 E HN 0.367 nan 8.360 nan 0.000 0.552 1448 V N -0.338 119.577 119.914 0.002 0.000 2.975 1448 V HA 0.079 4.199 4.120 -0.000 0.000 0.300 1448 V C 1.540 177.668 176.094 0.058 0.000 1.186 1448 V CA 0.217 62.626 62.300 0.182 0.000 1.311 1448 V CB -0.730 31.261 31.823 0.279 0.000 0.917 1448 V HN 0.447 nan 8.190 nan 0.000 0.512 1449 G N 2.845 111.682 108.800 0.062 0.000 2.522 1449 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.436 1449 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.436 1449 G C -0.257 174.738 174.900 0.158 0.000 1.353 1449 G CA 0.548 45.686 45.100 0.063 0.000 0.917 1449 G HN 1.472 nan 8.290 nan 0.000 0.527 1450 F N 0.517 120.469 119.950 0.004 0.000 2.595 1450 F HA 0.336 4.863 4.527 -0.000 0.000 0.359 1450 F C 0.882 176.722 175.800 0.067 0.000 1.147 1450 F CA -1.480 56.556 58.000 0.059 0.000 1.341 1450 F CB 0.061 39.123 39.000 0.104 0.000 1.104 1450 F HN 0.350 nan 8.300 nan 0.000 0.603 1451 I N 5.521 126.223 120.570 0.220 0.000 2.306 1451 I HA 0.172 4.342 4.170 -0.000 0.000 0.288 1451 I C 0.142 175.699 176.117 -0.932 0.000 1.036 1451 I CA -0.540 60.651 61.300 -0.181 0.000 1.221 1451 I CB 0.208 38.311 38.000 0.172 0.000 1.385 1451 I HN 0.574 nan 8.210 nan 0.000 0.472 1452 Q N 7.609 126.924 119.800 -0.809 0.000 2.274 1452 Q HA 0.181 4.521 4.340 -0.000 0.000 0.280 1452 Q C -2.156 173.390 176.000 -0.758 0.000 1.047 1452 Q CA -1.158 54.101 55.803 -0.907 0.000 0.907 1452 Q CB 0.794 29.201 28.738 -0.552 0.000 1.171 1452 Q HN 0.347 nan 8.270 nan 0.000 0.381 1453 P HA -0.038 nan 4.420 nan 0.000 0.271 1453 P C -0.692 176.282 177.300 -0.543 0.000 1.228 1453 P CA 0.140 62.821 63.100 -0.698 0.000 0.797 1453 P CB 0.438 31.774 31.700 -0.607 0.000 0.914 1454 G N -0.565 107.854 108.800 -0.636 0.000 2.481 1454 G HA2 0.541 4.501 3.960 -0.000 0.000 0.315 1454 G HA3 0.541 4.501 3.960 -0.000 0.000 0.315 1454 G C -0.886 174.160 174.900 0.243 0.000 1.231 1454 G CA -0.430 44.432 45.100 -0.397 0.000 0.968 1454 G HN 0.521 nan 8.290 nan 0.000 0.482 1455 S N -0.530 115.368 115.700 0.331 0.000 2.565 1455 S HA 0.750 5.220 4.470 -0.000 0.000 0.290 1455 S C -0.694 173.970 174.600 0.107 0.000 1.150 1455 S CA -0.702 57.588 58.200 0.150 0.000 1.058 1455 S CB 1.962 65.192 63.200 0.050 0.000 1.032 1455 S HN 0.662 nan 8.310 nan 0.000 0.510 1456 V N 2.533 122.408 119.914 -0.064 0.000 2.709 1456 V HA 0.611 4.731 4.120 -0.000 0.000 0.308 1456 V C -1.113 174.851 176.094 -0.217 0.000 1.062 1456 V CA -0.691 61.536 62.300 -0.123 0.000 0.901 1456 V CB 2.206 33.950 31.823 -0.132 0.000 1.003 1456 V HN 1.033 nan 8.190 nan 0.000 0.425 1457 K N 4.120 124.360 120.400 -0.268 0.000 2.601 1457 K HA 0.608 4.928 4.320 -0.000 0.000 0.249 1457 K C -1.374 174.936 176.600 -0.484 0.000 0.966 1457 K CA -0.507 55.566 56.287 -0.357 0.000 0.827 1457 K CB 2.447 34.709 32.500 -0.396 0.000 1.178 1457 K HN 0.379 nan 8.250 nan 0.000 0.437 1458 V N 4.245 123.906 119.914 -0.421 0.000 2.509 1458 V HA 0.470 4.590 4.120 -0.000 0.000 0.284 1458 V C -1.042 174.769 176.094 -0.472 0.000 1.047 1458 V CA -0.301 61.684 62.300 -0.524 0.000 0.952 1458 V CB 0.533 31.976 31.823 -0.632 0.000 0.988 1458 V HN 0.689 nan 8.190 nan 0.000 0.469 1459 Y N 1.815 121.913 120.300 -0.338 0.000 2.436 1459 Y HA 0.636 5.186 4.550 -0.000 0.000 0.327 1459 Y C -0.473 175.427 175.900 -0.001 0.000 1.138 1459 Y CA -2.031 55.970 58.100 -0.165 0.000 1.042 1459 Y CB 0.843 39.286 38.460 -0.028 0.000 1.302 1459 Y HN 0.455 nan 8.280 nan 0.000 0.439 1460 S N 2.393 118.317 115.700 0.373 0.000 2.610 1460 S HA 0.226 4.696 4.470 -0.000 0.000 0.273 1460 S C 0.801 175.582 174.600 0.302 0.000 1.274 1460 S CA -0.216 58.219 58.200 0.392 0.000 1.023 1460 S CB 0.405 63.930 63.200 0.542 0.000 0.962 1460 S HN 0.749 nan 8.310 nan 0.000 0.523 1461 Y N 4.717 125.113 120.300 0.159 0.000 2.053 1461 Y HA -0.232 4.318 4.550 0.000 0.000 0.277 1461 Y C 1.419 177.358 175.900 0.065 0.000 1.159 1461 Y CA 2.113 60.270 58.100 0.096 0.000 1.125 1461 Y CB -1.046 37.344 38.460 -0.117 0.000 0.969 1461 Y HN 0.884 nan 8.280 nan 0.000 0.492 1462 Y N 0.758 120.914 120.300 -0.240 0.000 2.651 1462 Y HA -0.119 4.431 4.550 -0.000 0.000 0.296 1462 Y C -0.021 175.790 175.900 -0.149 0.000 1.150 1462 Y CA 1.408 59.329 58.100 -0.299 0.000 1.348 1462 Y CB -0.474 37.943 38.460 -0.071 0.000 0.983 1462 Y HN 0.280 nan 8.280 nan 0.000 0.555 1463 N N -0.540 118.201 118.700 0.067 0.000 2.722 1463 N HA 0.216 4.956 4.740 -0.000 0.000 0.242 1463 N C -0.422 175.128 175.510 0.065 0.000 1.398 1463 N CA -0.070 53.040 53.050 0.100 0.000 0.755 1463 N CB 0.377 39.006 38.487 0.237 0.000 1.268 1463 N HN 0.081 nan 8.380 nan 0.000 0.522 1464 L N 0.122 121.307 121.223 -0.062 0.000 2.612 1464 L HA 0.155 4.495 4.340 -0.000 0.000 0.230 1464 L C 0.287 177.104 176.870 -0.087 0.000 1.140 1464 L CA 0.577 55.327 54.840 -0.151 0.000 0.896 1464 L CB 0.250 42.182 42.059 -0.212 0.000 1.065 1464 L HN 0.385 nan 8.230 nan 0.000 0.447 1465 D N -0.797 119.600 120.400 -0.004 0.000 2.402 1465 D HA -0.008 4.632 4.640 -0.000 0.000 0.216 1465 D C 0.505 176.855 176.300 0.083 0.000 1.128 1465 D CA 0.006 54.023 54.000 0.028 0.000 0.833 1465 D CB 0.215 41.023 40.800 0.014 0.000 0.971 1465 D HN 0.075 nan 8.370 nan 0.000 0.503 1466 E N 2.189 122.471 120.200 0.136 0.000 2.341 1466 E HA -0.057 4.293 4.350 -0.000 0.000 0.256 1466 E C 0.393 177.095 176.600 0.170 0.000 1.125 1466 E CA 0.067 56.581 56.400 0.191 0.000 0.939 1466 E CB 0.302 30.172 29.700 0.283 0.000 0.991 1466 E HN -0.250 nan 8.360 nan 0.000 0.458 1467 K N 3.753 124.219 120.400 0.111 0.000 2.627 1467 K HA 0.081 4.401 4.320 -0.000 0.000 0.212 1467 K C -0.377 176.246 176.600 0.038 0.000 1.041 1467 K CA -0.150 56.180 56.287 0.072 0.000 1.205 1467 K CB -0.682 31.850 32.500 0.052 0.000 0.936 1467 K HN 0.369 nan 8.250 nan 0.000 0.489 1468 c N 1.890 120.517 118.600 0.046 0.000 2.252 1468 c HA 0.334 4.904 4.570 -0.000 0.000 0.342 1468 c C 0.316 174.354 174.090 -0.087 0.000 1.110 1468 c CA 0.056 56.389 56.329 0.007 0.000 1.581 1468 c CB -1.315 41.243 42.510 0.079 0.000 2.087 1468 c HN 0.408 nan 8.230 nan 0.000 0.500 1469 T N 5.114 119.595 114.554 -0.120 0.000 2.909 1469 T HA 0.599 4.949 4.350 -0.000 0.000 0.299 1469 T C -1.322 173.213 174.700 -0.275 0.000 1.073 1469 T CA -0.465 61.500 62.100 -0.226 0.000 0.999 1469 T CB 0.811 69.532 68.868 -0.245 0.000 1.098 1469 T HN 0.741 nan 8.240 nan 0.000 0.477 1470 K N 2.429 122.611 120.400 -0.362 0.000 2.551 1470 K HA 0.478 4.798 4.320 -0.000 0.000 0.269 1470 K C -1.601 174.793 176.600 -0.343 0.000 0.949 1470 K CA -0.718 55.390 56.287 -0.299 0.000 0.849 1470 K CB 1.835 34.268 32.500 -0.111 0.000 1.411 1470 K HN 0.409 nan 8.250 nan 0.000 0.432 1471 F N 1.008 120.992 119.950 0.055 0.000 2.497 1471 F HA 0.523 5.050 4.527 -0.000 0.000 0.331 1471 F C 0.020 175.914 175.800 0.157 0.000 1.060 1471 F CA -0.443 57.601 58.000 0.073 0.000 0.989 1471 F CB 0.983 39.979 39.000 -0.007 0.000 1.245 1471 F HN 0.457 nan 8.300 nan 0.000 0.486 1472 Y N -1.064 119.369 120.300 0.222 0.000 2.571 1472 Y HA 0.701 5.251 4.550 -0.000 0.000 0.341 1472 Y C -1.510 174.474 175.900 0.141 0.000 1.076 1472 Y CA -1.121 57.049 58.100 0.116 0.000 1.029 1472 Y CB 1.693 40.169 38.460 0.027 0.000 1.308 1472 Y HN 0.759 nan 8.280 nan 0.000 0.461 1473 H N 3.391 122.452 119.070 -0.015 0.000 3.151 1473 H HA 0.196 4.752 4.556 -0.000 0.000 0.333 1473 H C -2.495 172.842 175.328 0.014 0.000 1.093 1473 H CA -2.219 53.772 56.048 -0.095 0.000 1.342 1473 H CB 3.086 32.802 29.762 -0.078 0.000 1.983 1473 H HN 0.484 nan 8.280 nan 0.000 0.503 1474 P HA -0.218 nan 4.420 nan 0.000 0.217 1474 P C 0.385 177.613 177.300 -0.120 0.000 1.158 1474 P CA 1.836 64.908 63.100 -0.047 0.000 0.887 1474 P CB 0.264 31.942 31.700 -0.037 0.000 0.792 1475 D N -2.954 117.272 120.400 -0.290 0.000 2.395 1475 D HA 0.066 4.706 4.640 -0.000 0.000 0.213 1475 D C 0.353 176.556 176.300 -0.162 0.000 1.110 1475 D CA 0.129 54.007 54.000 -0.203 0.000 0.835 1475 D CB -0.136 40.543 40.800 -0.202 0.000 0.965 1475 D HN 0.010 nan 8.370 nan 0.000 0.505 1476 K N 1.087 121.397 120.400 -0.150 0.000 2.339 1476 K HA 0.462 4.782 4.320 -0.000 0.000 0.264 1476 K C 1.160 177.791 176.600 0.051 0.000 0.986 1476 K CA -0.520 55.769 56.287 0.004 0.000 0.866 1476 K CB 1.721 34.304 32.500 0.138 0.000 1.103 1476 K HN 0.061 nan 8.250 nan 0.000 0.441 1477 G N 1.891 110.714 108.800 0.038 0.000 2.639 1477 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 1477 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 1477 G C 1.340 176.288 174.900 0.080 0.000 1.267 1477 G CA 1.981 47.109 45.100 0.046 0.000 0.801 1477 G HN 0.625 nan 8.290 nan 0.000 0.592 1478 T N -1.686 112.918 114.554 0.083 0.000 2.759 1478 T HA 0.204 4.554 4.350 -0.000 0.000 0.269 1478 T C 2.186 176.987 174.700 0.168 0.000 1.042 1478 T CA 1.837 64.003 62.100 0.110 0.000 1.140 1478 T CB -0.523 68.406 68.868 0.102 0.000 0.864 1478 T HN 1.768 nan 8.240 nan 0.000 0.455 1479 G N 0.656 109.547 108.800 0.152 0.000 2.217 1479 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.246 1479 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.246 1479 G C -0.028 174.908 174.900 0.059 0.000 0.990 1479 G CA 0.048 45.242 45.100 0.156 0.000 0.627 1479 G HN 0.932 nan 8.290 nan 0.000 0.522 1480 L N 3.475 124.753 121.223 0.092 0.000 2.477 1480 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 1480 L C 0.790 177.658 176.870 -0.003 0.000 1.157 1480 L CA -1.309 53.536 54.840 0.007 0.000 0.889 1480 L CB 0.020 42.133 42.059 0.090 0.000 1.158 1480 L HN 0.557 nan 8.230 nan 0.000 0.473 1481 L N 2.954 124.141 121.223 -0.060 0.000 2.467 1481 L HA 0.382 4.722 4.340 -0.000 0.000 0.270 1481 L C 0.393 177.283 176.870 0.033 0.000 1.205 1481 L CA -0.224 54.635 54.840 0.031 0.000 0.828 1481 L CB -0.986 41.111 42.059 0.064 0.000 1.101 1481 L HN 0.599 nan 8.230 nan 0.000 0.479 1482 N N 2.220 120.944 118.700 0.040 0.000 2.412 1482 N HA 0.179 4.919 4.740 -0.000 0.000 0.254 1482 N C -0.247 175.276 175.510 0.022 0.000 1.232 1482 N CA 0.303 53.367 53.050 0.023 0.000 0.880 1482 N CB 0.280 38.770 38.487 0.006 0.000 1.076 1482 N HN 0.827 nan 8.380 nan 0.000 0.458 1483 K N 0.733 121.148 120.400 0.024 0.000 2.575 1483 K HA 0.498 4.818 4.320 -0.000 0.000 0.279 1483 K C -1.333 175.283 176.600 0.026 0.000 0.969 1483 K CA -0.722 55.580 56.287 0.026 0.000 0.868 1483 K CB 1.172 33.688 32.500 0.027 0.000 1.457 1483 K HN 0.268 nan 8.250 nan 0.000 0.426 1484 I N 1.306 121.892 120.570 0.027 0.000 2.441 1484 I HA 0.393 4.563 4.170 -0.000 0.000 0.295 1484 I C -0.949 175.181 176.117 0.023 0.000 0.994 1484 I CA -0.918 60.398 61.300 0.027 0.000 1.144 1484 I CB 1.917 39.937 38.000 0.033 0.000 1.314 1484 I HN 0.630 nan 8.210 nan 0.000 0.445 1485 c N 6.944 125.556 118.600 0.021 0.000 2.431 1485 c HA 0.628 5.198 4.570 -0.000 0.000 0.321 1485 c C -0.365 173.734 174.090 0.015 0.000 1.202 1485 c CA -0.692 55.648 56.329 0.018 0.000 1.398 1485 c CB 0.858 43.380 42.510 0.019 0.000 2.047 1485 c HN 0.612 nan 8.230 nan 0.000 0.465 1486 I N 1.504 122.081 120.570 0.011 0.000 2.500 1486 I HA 0.776 4.946 4.170 -0.000 0.000 0.286 1486 I C 0.452 176.573 176.117 0.007 0.000 1.063 1486 I CA 0.192 61.498 61.300 0.009 0.000 1.062 1486 I CB 1.225 39.229 38.000 0.007 0.000 1.223 1486 I HN 0.948 nan 8.210 nan 0.000 0.435 1487 G N 5.892 114.697 108.800 0.008 0.000 2.561 1487 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.289 1487 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.289 1487 G C 0.510 175.416 174.900 0.011 0.000 1.169 1487 G CA 0.852 45.958 45.100 0.009 0.000 0.980 1487 G HN 0.720 nan 8.290 nan 0.000 0.550 1488 N N 0.299 119.006 118.700 0.010 0.000 2.424 1488 N HA 0.156 4.896 4.740 -0.000 0.000 0.178 1488 N C 0.970 176.486 175.510 0.010 0.000 1.060 1488 N CA 1.000 54.057 53.050 0.012 0.000 0.901 1488 N CB 0.051 38.545 38.487 0.012 0.000 0.979 1488 N HN 0.510 nan 8.380 nan 0.000 0.451 1489 V N 0.903 120.821 119.914 0.006 0.000 2.488 1489 V HA 0.209 4.329 4.120 -0.000 0.000 0.277 1489 V C 0.439 176.536 176.094 0.004 0.000 1.046 1489 V CA -0.634 61.667 62.300 0.002 0.000 0.986 1489 V CB 1.006 32.826 31.823 -0.004 0.000 0.989 1489 V HN 0.055 nan 8.190 nan 0.000 0.475 1490 c N 4.884 123.485 118.600 0.003 0.000 2.707 1490 c HA 0.956 5.526 4.570 -0.000 0.000 0.313 1490 c C 0.100 174.192 174.090 0.003 0.000 1.209 1490 c CA -0.460 55.873 56.329 0.008 0.000 1.635 1490 c CB 2.149 44.669 42.510 0.016 0.000 2.206 1490 c HN 1.033 nan 8.230 nan 0.000 0.485 1491 R N 0.619 121.125 120.500 0.010 0.000 2.766 1491 R HA 0.573 4.913 4.340 -0.000 0.000 0.270 1491 R C -0.369 175.945 176.300 0.024 0.000 1.035 1491 R CA -0.289 55.817 56.100 0.009 0.000 0.911 1491 R CB 0.198 30.497 30.300 -0.003 0.000 1.243 1491 R HN 0.895 nan 8.270 nan 0.000 0.460 1492 c N -0.546 118.073 118.600 0.032 0.000 2.894 1492 c HA 0.635 5.205 4.570 -0.000 0.000 0.266 1492 c C 1.313 175.423 174.090 0.034 0.000 1.773 1492 c CA 1.070 57.426 56.329 0.045 0.000 1.953 1492 c CB 0.389 42.941 42.510 0.070 0.000 1.978 1492 c HN 0.790 nan 8.230 nan 0.000 0.615 1493 A N -2.088 120.748 122.820 0.027 0.000 2.584 1493 A HA 0.435 4.755 4.320 -0.000 0.000 0.164 1493 A C 1.308 178.884 177.584 -0.014 0.000 1.688 1493 A CA 1.256 53.300 52.037 0.011 0.000 1.136 1493 A CB -0.983 18.024 19.000 0.011 0.000 1.290 1493 A HN 2.282 nan 8.150 nan 0.000 0.420 1494 G N -0.405 108.379 108.800 -0.026 0.000 2.353 1494 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.258 1494 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.258 1494 G C 0.756 175.573 174.900 -0.138 0.000 1.013 1494 G CA 1.542 46.599 45.100 -0.071 0.000 0.622 1494 G HN 1.087 nan 8.290 nan 0.000 0.535 1495 E N -1.493 118.644 120.200 -0.104 0.000 4.807 1495 E HA -0.318 4.032 4.350 -0.000 0.000 0.171 1495 E C 1.085 177.615 176.600 -0.116 0.000 1.266 1495 E CA 2.462 58.789 56.400 -0.122 0.000 2.327 1495 E CB -1.838 27.718 29.700 -0.240 0.000 1.829 1495 E HN 1.441 nan 8.360 nan 0.000 0.414 1496 T N 1.872 116.336 114.554 -0.150 0.000 2.814 1496 T HA 0.306 4.656 4.350 -0.000 0.000 0.297 1496 T C 0.744 175.397 174.700 -0.078 0.000 0.956 1496 T CA 0.032 62.066 62.100 -0.110 0.000 1.123 1496 T CB 0.437 69.234 68.868 -0.117 0.000 0.902 1496 T HN 0.372 nan 8.240 nan 0.000 0.528 1497 c N 4.021 122.583 118.600 -0.063 0.000 2.820 1497 c HA 0.465 5.035 4.570 -0.000 0.000 0.359 1497 c C 1.156 175.206 174.090 -0.067 0.000 1.357 1497 c CA 0.116 56.412 56.329 -0.056 0.000 2.197 1497 c CB -0.166 42.315 42.510 -0.048 0.000 2.569 1497 c HN 1.080 nan 8.230 nan 0.000 0.753 1498 S N 1.187 116.842 115.700 -0.076 0.000 2.745 1498 S HA 0.463 4.933 4.470 -0.000 0.000 0.283 1498 S C -0.493 174.025 174.600 -0.137 0.000 1.170 1498 S CA -0.349 57.790 58.200 -0.102 0.000 1.119 1498 S CB 1.018 64.159 63.200 -0.098 0.000 1.035 1498 S HN 1.070 nan 8.310 nan 0.000 0.483 1499 S N 4.328 119.940 115.700 -0.146 0.000 2.572 1499 S HA 0.420 4.890 4.470 -0.000 0.000 0.279 1499 S C 0.300 174.755 174.600 -0.242 0.000 1.341 1499 S CA -0.732 57.369 58.200 -0.164 0.000 1.043 1499 S CB 0.279 63.395 63.200 -0.139 0.000 0.887 1499 S HN 0.920 nan 8.310 nan 0.000 0.516 1500 L N 2.332 123.417 121.223 -0.230 0.000 2.482 1500 L HA 0.275 4.615 4.340 -0.000 0.000 0.273 1500 L C 0.089 176.771 176.870 -0.315 0.000 1.228 1500 L CA 0.508 55.178 54.840 -0.284 0.000 0.827 1500 L CB -0.146 41.787 42.059 -0.211 0.000 1.099 1500 L HN 0.806 nan 8.230 nan 0.000 0.494 1501 N N 2.101 120.551 118.700 -0.417 0.000 2.546 1501 N HA 0.113 4.853 4.740 -0.000 0.000 0.238 1501 N C -1.145 174.281 175.510 -0.140 0.000 0.984 1501 N CA -0.496 52.272 53.050 -0.470 0.000 0.935 1501 N CB 0.365 38.192 38.487 -1.100 0.000 1.122 1501 N HN 0.567 nan 8.380 nan 0.000 0.510 1502 H N 2.054 121.026 119.070 -0.164 0.000 2.482 1502 H HA 0.426 4.982 4.556 -0.000 0.000 0.344 1502 H C -0.630 174.678 175.328 -0.032 0.000 1.151 1502 H CA 0.196 56.205 56.048 -0.065 0.000 1.300 1502 H CB 1.126 30.863 29.762 -0.042 0.000 1.494 1502 H HN 0.503 nan 8.280 nan 0.000 0.542 1503 Q N 1.264 121.038 119.800 -0.043 0.000 2.849 1503 Q HA 0.086 4.426 4.340 -0.000 0.000 0.267 1503 Q C -0.891 175.091 176.000 -0.030 0.000 0.957 1503 Q CA -0.444 55.306 55.803 -0.088 0.000 0.856 1503 Q CB 0.708 29.500 28.738 0.090 0.000 1.740 1503 Q HN 0.732 nan 8.270 nan 0.000 0.441 1504 E N 0.601 120.772 120.200 -0.048 0.000 2.541 1504 E HA 0.309 4.659 4.350 -0.000 0.000 0.219 1504 E C -0.330 176.278 176.600 0.013 0.000 0.922 1504 E CA -0.136 56.275 56.400 0.018 0.000 1.095 1504 E CB 0.820 30.511 29.700 -0.015 0.000 1.112 1504 E HN 0.222 nan 8.360 nan 0.000 0.516 1505 R N 0.728 121.239 120.500 0.018 0.000 2.522 1505 R HA 0.488 4.828 4.340 -0.000 0.000 0.283 1505 R C -1.727 174.608 176.300 0.057 0.000 1.074 1505 R CA -0.387 55.727 56.100 0.024 0.000 0.925 1505 R CB 1.015 31.321 30.300 0.010 0.000 1.205 1505 R HN 0.099 nan 8.270 nan 0.000 0.436 1506 I N 3.623 124.238 120.570 0.075 0.000 2.388 1506 I HA 0.165 4.335 4.170 -0.000 0.000 0.281 1506 I C -0.041 176.134 176.117 0.097 0.000 1.046 1506 I CA -0.572 60.793 61.300 0.108 0.000 1.187 1506 I CB 1.435 39.519 38.000 0.139 0.000 1.351 1506 I HN 0.591 nan 8.210 nan 0.000 0.472 1507 D N 6.596 127.048 120.400 0.088 0.000 2.449 1507 D HA -0.040 4.600 4.640 -0.000 0.000 0.278 1507 D C 1.293 177.649 176.300 0.092 0.000 1.417 1507 D CA 0.117 54.162 54.000 0.075 0.000 1.192 1507 D CB 0.868 41.707 40.800 0.065 0.000 1.129 1507 D HN 0.297 nan 8.370 nan 0.000 0.539 1508 V N 5.661 125.637 119.914 0.103 0.000 2.215 1508 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 1508 V C -0.506 175.651 176.094 0.106 0.000 1.054 1508 V CA 1.710 64.099 62.300 0.149 0.000 1.012 1508 V CB -1.769 30.134 31.823 0.133 0.000 0.639 1508 V HN 0.494 nan 8.190 nan 0.000 0.448 1509 P HA -0.188 nan 4.420 nan 0.000 0.216 1509 P C 1.952 179.252 177.300 0.001 0.000 1.154 1509 P CA 1.458 64.557 63.100 -0.001 0.000 0.865 1509 P CB -0.126 31.567 31.700 -0.012 0.000 0.789 1510 L N -0.480 120.758 121.223 0.026 0.000 2.017 1510 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 1510 L C 2.541 179.421 176.870 0.017 0.000 1.073 1510 L CA 1.963 56.818 54.840 0.024 0.000 0.745 1510 L CB -1.274 40.815 42.059 0.049 0.000 0.894 1510 L HN -0.145 nan 8.230 nan 0.000 0.432 1511 Q N 0.090 119.929 119.800 0.066 0.000 2.002 1511 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 1511 Q C 2.159 178.161 176.000 0.003 0.000 0.988 1511 Q CA 2.984 58.828 55.803 0.068 0.000 0.843 1511 Q CB -0.559 28.280 28.738 0.168 0.000 0.908 1511 Q HN 0.748 nan 8.270 nan 0.000 0.420 1512 I N -1.296 119.310 120.570 0.060 0.000 2.315 1512 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 1512 I C 1.709 177.690 176.117 -0.227 0.000 1.125 1512 I CA 1.780 62.980 61.300 -0.167 0.000 1.392 1512 I CB -0.453 37.394 38.000 -0.255 0.000 1.065 1512 I HN 0.189 nan 8.210 nan 0.000 0.424 1513 E N 1.750 121.859 120.200 -0.153 0.000 2.007 1513 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 1513 E C 2.103 178.575 176.600 -0.213 0.000 0.999 1513 E CA 1.385 57.696 56.400 -0.149 0.000 0.811 1513 E CB -0.246 29.405 29.700 -0.081 0.000 0.762 1513 E HN 0.479 nan 8.360 nan 0.000 0.450 1514 K N 0.231 120.511 120.400 -0.201 0.000 2.117 1514 K HA -0.252 4.068 4.320 -0.000 0.000 0.215 1514 K C 2.049 178.322 176.600 -0.546 0.000 1.053 1514 K CA 1.630 57.781 56.287 -0.227 0.000 0.935 1514 K CB -0.290 32.098 32.500 -0.186 0.000 0.719 1514 K HN 0.125 nan 8.250 nan 0.000 0.460 1515 A N 0.270 122.487 122.820 -1.005 0.000 2.132 1515 A HA -0.009 4.311 4.320 -0.000 0.000 0.213 1515 A C 1.026 178.181 177.584 -0.714 0.000 1.154 1515 A CA 0.217 51.366 52.037 -1.479 0.000 0.753 1515 A CB 0.119 18.163 19.000 -1.593 0.000 0.826 1515 A HN 0.326 nan 8.150 nan 0.000 0.469 1516 c N 1.416 119.750 118.600 -0.443 0.000 2.158 1516 c HA 0.601 5.171 4.570 -0.000 0.000 0.350 1516 c C 0.119 174.099 174.090 -0.183 0.000 1.064 1516 c CA -0.378 55.793 56.329 -0.265 0.000 1.507 1516 c CB -1.416 40.970 42.510 -0.205 0.000 1.934 1516 c HN 0.566 nan 8.230 nan 0.000 0.479 1517 E N 0.744 120.857 120.200 -0.144 0.000 2.343 1517 E HA 0.293 4.643 4.350 -0.000 0.000 0.278 1517 E C 0.830 177.417 176.600 -0.020 0.000 0.910 1517 E CA -0.376 55.987 56.400 -0.062 0.000 0.757 1517 E CB 1.333 31.017 29.700 -0.026 0.000 1.218 1517 E HN 0.310 nan 8.360 nan 0.000 0.435 1518 T N 2.326 116.877 114.554 -0.004 0.000 2.594 1518 T HA -0.252 4.098 4.350 -0.000 0.000 0.266 1518 T C 0.920 175.639 174.700 0.031 0.000 1.070 1518 T CA 2.307 64.413 62.100 0.011 0.000 1.166 1518 T CB -0.472 68.405 68.868 0.015 0.000 0.862 1518 T HN 0.583 nan 8.240 nan 0.000 0.436 1519 N N 1.101 119.829 118.700 0.047 0.000 2.802 1519 N HA 0.201 4.941 4.740 -0.000 0.000 0.288 1519 N C -1.002 174.579 175.510 0.118 0.000 1.268 1519 N CA -0.178 52.915 53.050 0.071 0.000 1.035 1519 N CB 0.646 39.169 38.487 0.060 0.000 1.353 1519 N HN 0.309 nan 8.380 nan 0.000 0.522 1520 V N 1.110 121.092 119.914 0.113 0.000 2.439 1520 V HA 0.036 4.156 4.120 -0.000 0.000 0.277 1520 V C 0.603 176.810 176.094 0.189 0.000 1.008 1520 V CA -0.607 61.801 62.300 0.180 0.000 0.846 1520 V CB 1.165 33.056 31.823 0.112 0.000 1.031 1520 V HN 0.263 nan 8.190 nan 0.000 0.441 1521 D N 3.464 124.043 120.400 0.298 0.000 2.309 1521 D HA -0.059 4.581 4.640 -0.000 0.000 0.212 1521 D C 0.207 176.750 176.300 0.406 0.000 0.968 1521 D CA 1.486 55.652 54.000 0.277 0.000 0.882 1521 D CB 0.198 41.103 40.800 0.175 0.000 0.918 1521 D HN 0.738 nan 8.370 nan 0.000 0.503 1522 Y N -4.478 115.869 120.300 0.077 0.000 2.583 1522 Y HA 0.451 5.001 4.550 -0.000 0.000 0.330 1522 Y C -2.074 173.835 175.900 0.015 0.000 1.185 1522 Y CA -1.550 56.584 58.100 0.058 0.000 1.107 1522 Y CB 0.775 39.250 38.460 0.026 0.000 1.344 1522 Y HN -0.328 nan 8.280 nan 0.000 0.463 1523 V N 3.970 123.772 119.914 -0.187 0.000 2.447 1523 V HA 0.392 4.512 4.120 -0.000 0.000 0.292 1523 V C -1.265 174.904 176.094 0.124 0.000 1.021 1523 V CA -0.715 61.462 62.300 -0.206 0.000 0.850 1523 V CB 0.801 32.558 31.823 -0.110 0.000 1.005 1523 V HN 0.650 nan 8.190 nan 0.000 0.426 1524 Y N 2.357 122.655 120.300 -0.004 0.000 2.457 1524 Y HA 0.617 5.167 4.550 0.000 0.000 0.333 1524 Y C 0.313 176.197 175.900 -0.026 0.000 1.119 1524 Y CA -2.020 56.096 58.100 0.027 0.000 1.143 1524 Y CB 1.305 39.802 38.460 0.061 0.000 1.230 1524 Y HN 0.528 nan 8.280 nan 0.000 0.469 1525 K N 0.641 121.069 120.400 0.046 0.000 2.123 1525 K HA 0.651 4.971 4.320 -0.000 0.000 0.259 1525 K C -1.015 175.467 176.600 -0.196 0.000 0.960 1525 K CA -0.285 55.852 56.287 -0.251 0.000 0.872 1525 K CB 1.458 33.554 32.500 -0.673 0.000 1.079 1525 K HN 0.817 nan 8.250 nan 0.000 0.440 1526 T N 2.193 116.612 114.554 -0.224 0.000 3.486 1526 T HA 0.172 4.522 4.350 -0.000 0.000 0.375 1526 T C -1.914 172.762 174.700 -0.040 0.000 1.459 1526 T CA -0.830 61.214 62.100 -0.093 0.000 1.151 1526 T CB 0.934 69.821 68.868 0.031 0.000 1.336 1526 T HN 0.707 nan 8.240 nan 0.000 0.477 1527 K N 3.428 123.805 120.400 -0.039 0.000 2.201 1527 K HA 0.607 4.927 4.320 -0.000 0.000 0.278 1527 K C -0.374 176.278 176.600 0.086 0.000 1.027 1527 K CA -0.894 55.395 56.287 0.003 0.000 0.909 1527 K CB 0.816 33.310 32.500 -0.009 0.000 1.062 1527 K HN 0.523 nan 8.250 nan 0.000 0.465 1528 L N 6.579 127.895 121.223 0.154 0.000 2.282 1528 L HA 0.148 4.488 4.340 -0.000 0.000 0.287 1528 L C -0.309 176.644 176.870 0.139 0.000 1.075 1528 L CA -0.188 54.757 54.840 0.176 0.000 0.839 1528 L CB 0.127 42.338 42.059 0.254 0.000 1.219 1528 L HN 0.707 nan 8.230 nan 0.000 0.434 1529 L N 3.769 125.059 121.223 0.112 0.000 1.922 1529 L HA 0.201 4.541 4.340 -0.000 0.000 0.224 1529 L C 1.314 178.237 176.870 0.087 0.000 1.109 1529 L CA 0.847 55.740 54.840 0.089 0.000 1.405 1529 L CB -0.887 41.215 42.059 0.072 0.000 1.179 1529 L HN 0.538 nan 8.230 nan 0.000 0.700 1530 R N 0.053 120.596 120.500 0.072 0.000 2.615 1530 R HA 0.452 4.792 4.340 -0.000 0.000 0.270 1530 R C -0.740 175.589 176.300 0.048 0.000 1.081 1530 R CA -0.184 55.946 56.100 0.051 0.000 1.154 1530 R CB 0.365 30.684 30.300 0.033 0.000 1.063 1530 R HN 0.259 nan 8.270 nan 0.000 0.519 1531 I N 1.562 122.134 120.570 0.003 0.000 2.439 1531 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 1531 I C -0.257 175.793 176.117 -0.112 0.000 1.021 1531 I CA -0.355 60.893 61.300 -0.087 0.000 1.091 1531 I CB 1.869 39.799 38.000 -0.117 0.000 1.242 1531 I HN 0.547 nan 8.210 nan 0.000 0.439 1532 E N 3.584 123.703 120.200 -0.136 0.000 2.339 1532 E HA 0.478 4.828 4.350 -0.000 0.000 0.262 1532 E C -1.202 175.331 176.600 -0.112 0.000 0.934 1532 E CA -0.893 55.450 56.400 -0.094 0.000 0.802 1532 E CB 2.468 32.140 29.700 -0.047 0.000 1.275 1532 E HN 0.323 nan 8.360 nan 0.000 0.427 1533 E N 1.469 121.626 120.200 -0.072 0.000 2.171 1533 E HA 0.273 4.623 4.350 -0.000 0.000 0.271 1533 E C -1.664 174.913 176.600 -0.039 0.000 0.916 1533 E CA -0.646 55.717 56.400 -0.062 0.000 0.774 1533 E CB 1.235 30.906 29.700 -0.049 0.000 1.128 1533 E HN 0.223 nan 8.360 nan 0.000 0.403 1534 Q N 3.600 123.381 119.800 -0.033 0.000 2.759 1534 Q HA 0.267 4.607 4.340 -0.000 0.000 0.225 1534 Q C -1.640 174.354 176.000 -0.010 0.000 0.823 1534 Q CA -0.213 55.579 55.803 -0.017 0.000 0.828 1534 Q CB 0.409 29.140 28.738 -0.012 0.000 1.425 1534 Q HN 0.644 nan 8.270 nan 0.000 0.449 1535 D N 3.186 123.582 120.400 -0.007 0.000 2.705 1535 D HA -0.195 4.445 4.640 -0.000 0.000 0.240 1535 D C 0.764 177.064 176.300 0.000 0.000 1.137 1535 D CA 1.460 55.460 54.000 -0.001 0.000 0.677 1535 D CB -1.444 39.358 40.800 0.004 0.000 1.049 1535 D HN 1.132 nan 8.370 nan 0.000 0.427 1536 G N -0.181 108.616 108.800 -0.005 0.000 2.238 1536 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.270 1536 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.270 1536 G C 0.199 175.099 174.900 -0.001 0.000 0.977 1536 G CA 0.625 45.724 45.100 -0.003 0.000 0.639 1536 G HN 0.523 nan 8.290 nan 0.000 0.544 1537 N N 1.980 120.679 118.700 -0.001 0.000 2.422 1537 N HA 0.352 5.092 4.740 -0.000 0.000 0.266 1537 N C -0.794 174.700 175.510 -0.026 0.000 1.007 1537 N CA -0.270 52.783 53.050 0.005 0.000 0.941 1537 N CB 1.082 39.579 38.487 0.017 0.000 1.115 1537 N HN 0.214 nan 8.380 nan 0.000 0.492 1538 D N 1.821 122.193 120.400 -0.046 0.000 2.351 1538 D HA 0.173 4.813 4.640 -0.000 0.000 0.251 1538 D C 0.269 176.499 176.300 -0.116 0.000 1.137 1538 D CA 0.040 53.935 54.000 -0.175 0.000 0.879 1538 D CB 1.307 41.892 40.800 -0.359 0.000 1.181 1538 D HN 0.327 nan 8.370 nan 0.000 0.448 1539 I N 2.508 122.996 120.570 -0.137 0.000 2.337 1539 I HA 0.131 4.301 4.170 -0.000 0.000 0.285 1539 I C -0.398 175.683 176.117 -0.060 0.000 1.041 1539 I CA -0.798 60.490 61.300 -0.020 0.000 1.199 1539 I CB -0.068 37.934 38.000 0.004 0.000 1.370 1539 I HN 0.126 nan 8.210 nan 0.000 0.470 1540 Y N 4.997 125.331 120.300 0.057 0.000 2.531 1540 Y HA 0.341 4.891 4.550 -0.000 0.000 0.347 1540 Y C 0.538 176.495 175.900 0.095 0.000 1.024 1540 Y CA -0.783 57.349 58.100 0.053 0.000 1.306 1540 Y CB 0.352 38.823 38.460 0.017 0.000 1.149 1540 Y HN 0.287 nan 8.280 nan 0.000 0.527 1541 V N 5.710 125.734 119.914 0.183 0.000 2.555 1541 V HA 0.138 4.258 4.120 -0.000 0.000 0.286 1541 V C 0.293 176.495 176.094 0.180 0.000 1.044 1541 V CA -0.393 62.002 62.300 0.159 0.000 1.026 1541 V CB 0.468 32.350 31.823 0.097 0.000 0.981 1541 V HN 0.695 nan 8.190 nan 0.000 0.480 1542 M N 3.707 123.432 119.600 0.209 0.000 2.456 1542 M HA 0.505 4.985 4.480 -0.000 0.000 0.324 1542 M C -0.814 175.562 176.300 0.128 0.000 1.124 1542 M CA -0.545 54.870 55.300 0.193 0.000 0.959 1542 M CB 1.890 34.673 32.600 0.305 0.000 1.692 1542 M HN 0.599 nan 8.290 nan 0.000 0.444 1543 D N 1.780 122.221 120.400 0.069 0.000 2.278 1543 D HA 0.517 5.157 4.640 -0.000 0.000 0.245 1543 D C -1.108 175.161 176.300 -0.053 0.000 1.052 1543 D CA -0.339 53.663 54.000 0.003 0.000 0.834 1543 D CB 2.193 42.995 40.800 0.004 0.000 1.194 1543 D HN 0.271 nan 8.370 nan 0.000 0.481 1544 V N 4.092 123.914 119.914 -0.154 0.000 2.649 1544 V HA 0.189 4.309 4.120 -0.000 0.000 0.292 1544 V C 0.796 176.782 176.094 -0.180 0.000 1.055 1544 V CA -0.384 61.783 62.300 -0.221 0.000 1.023 1544 V CB 1.336 32.857 31.823 -0.503 0.000 0.992 1544 V HN 0.505 nan 8.190 nan 0.000 0.480 1545 L N 2.540 123.664 121.223 -0.164 0.000 3.260 1545 L HA 0.437 4.777 4.340 -0.000 0.000 0.171 1545 L C 0.874 177.669 176.870 -0.125 0.000 1.315 1545 L CA 0.640 55.396 54.840 -0.140 0.000 0.886 1545 L CB -0.391 41.565 42.059 -0.173 0.000 1.431 1545 L HN 0.619 nan 8.230 nan 0.000 0.583 1546 E N -0.203 119.924 120.200 -0.121 0.000 2.242 1546 E HA 0.428 4.778 4.350 -0.000 0.000 0.275 1546 E C -1.213 175.366 176.600 -0.035 0.000 1.002 1546 E CA -0.463 55.903 56.400 -0.057 0.000 0.841 1546 E CB 2.177 31.872 29.700 -0.008 0.000 1.109 1546 E HN -0.099 nan 8.360 nan 0.000 0.394 1547 V N 5.397 125.301 119.914 -0.015 0.000 2.257 1547 V HA 0.054 4.174 4.120 -0.000 0.000 0.269 1547 V C 1.024 177.170 176.094 0.087 0.000 1.040 1547 V CA -0.333 61.994 62.300 0.045 0.000 0.813 1547 V CB 0.072 31.877 31.823 -0.030 0.000 1.065 1547 V HN 0.667 nan 8.190 nan 0.000 0.457 1548 I N 2.152 122.796 120.570 0.123 0.000 2.040 1548 I HA -0.085 4.085 4.170 -0.000 0.000 0.224 1548 I C 1.421 177.555 176.117 0.028 0.000 1.038 1548 I CA 1.293 62.629 61.300 0.060 0.000 1.330 1548 I CB -0.423 37.622 38.000 0.075 0.000 1.076 1548 I HN 0.467 nan 8.210 nan 0.000 0.388 1549 K N 1.996 122.414 120.400 0.030 0.000 2.310 1549 K HA 0.052 4.372 4.320 -0.000 0.000 0.290 1549 K C 0.008 176.698 176.600 0.150 0.000 1.077 1549 K CA -0.228 56.073 56.287 0.023 0.000 0.922 1549 K CB 0.366 32.831 32.500 -0.058 0.000 1.057 1549 K HN 0.109 nan 8.250 nan 0.000 0.479 1550 Q N 3.284 123.159 119.800 0.125 0.000 2.255 1550 Q HA 0.102 4.442 4.340 -0.000 0.000 0.280 1550 Q C 0.277 176.421 176.000 0.241 0.000 1.068 1550 Q CA 0.333 56.242 55.803 0.178 0.000 0.911 1550 Q CB 0.888 29.683 28.738 0.095 0.000 1.157 1550 Q HN 0.737 nan 8.270 nan 0.000 0.380 1551 G N 2.380 111.413 108.800 0.388 0.000 2.466 1551 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.279 1551 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.279 1551 G C 0.281 175.309 174.900 0.213 0.000 1.410 1551 G CA 0.247 45.578 45.100 0.385 0.000 1.065 1551 G HN 0.723 nan 8.290 nan 0.000 0.547 1552 T N 0.106 114.758 114.554 0.163 0.000 3.035 1552 T HA 0.062 4.412 4.350 -0.000 0.000 0.259 1552 T C 0.283 175.044 174.700 0.102 0.000 1.078 1552 T CA 0.676 62.834 62.100 0.098 0.000 1.132 1552 T CB -0.221 68.676 68.868 0.049 0.000 0.900 1552 T HN 0.501 nan 8.240 nan 0.000 0.480 1553 D N 2.569 123.059 120.400 0.150 0.000 2.426 1553 D HA 0.131 4.771 4.640 -0.000 0.000 0.261 1553 D C 0.877 177.243 176.300 0.110 0.000 1.245 1553 D CA 0.043 54.127 54.000 0.140 0.000 0.917 1553 D CB 0.671 41.608 40.800 0.227 0.000 1.123 1553 D HN 0.138 nan 8.370 nan 0.000 0.508 1554 E N 1.338 121.579 120.200 0.070 0.000 2.233 1554 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 1554 E C 0.431 177.055 176.600 0.040 0.000 1.004 1554 E CA 0.991 57.420 56.400 0.049 0.000 0.819 1554 E CB -0.020 29.700 29.700 0.032 0.000 0.738 1554 E HN 0.306 nan 8.360 nan 0.000 0.478 1555 N N -1.649 117.077 118.700 0.045 0.000 2.946 1555 N HA 0.081 4.821 4.740 -0.000 0.000 0.213 1555 N C -2.585 172.930 175.510 0.008 0.000 1.440 1555 N CA -1.035 52.023 53.050 0.013 0.000 0.745 1555 N CB 0.669 39.160 38.487 0.008 0.000 1.471 1555 N HN -0.221 nan 8.380 nan 0.000 0.569 1556 P HA -0.101 nan 4.420 nan 0.000 0.213 1556 P C 1.131 178.297 177.300 -0.223 0.000 1.170 1556 P CA 1.431 64.460 63.100 -0.119 0.000 0.893 1556 P CB 0.169 31.527 31.700 -0.571 0.000 0.784 1557 R N -0.071 120.265 120.500 -0.273 0.000 2.261 1557 R HA -0.078 4.262 4.340 -0.000 0.000 0.236 1557 R C 1.915 178.151 176.300 -0.106 0.000 1.141 1557 R CA 1.294 57.268 56.100 -0.211 0.000 1.001 1557 R CB -1.438 28.762 30.300 -0.166 0.000 0.866 1557 R HN 0.106 nan 8.270 nan 0.000 0.468 1558 A N 2.243 125.026 122.820 -0.061 0.000 1.823 1558 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 1558 A C 0.537 178.128 177.584 0.011 0.000 1.227 1558 A CA 0.945 52.972 52.037 -0.015 0.000 0.616 1558 A CB -0.088 18.914 19.000 0.004 0.000 0.874 1558 A HN 0.091 nan 8.150 nan 0.000 0.455 1559 K N 1.829 122.261 120.400 0.054 0.000 2.227 1559 K HA 0.329 4.649 4.320 -0.000 0.000 0.280 1559 K C -0.045 176.655 176.600 0.165 0.000 1.041 1559 K CA 0.060 56.396 56.287 0.082 0.000 0.905 1559 K CB 0.546 33.087 32.500 0.070 0.000 1.068 1559 K HN 0.623 nan 8.250 nan 0.000 0.470 1560 T N 0.693 115.322 114.554 0.124 0.000 2.906 1560 T HA -0.004 4.346 4.350 -0.000 0.000 0.329 1560 T C 0.173 175.055 174.700 0.304 0.000 1.091 1560 T CA 0.137 62.332 62.100 0.159 0.000 1.127 1560 T CB 0.131 69.056 68.868 0.095 0.000 1.035 1560 T HN 0.383 nan 8.240 nan 0.000 0.547 1561 H N 0.538 119.617 119.070 0.014 0.000 2.529 1561 H HA 0.459 5.015 4.556 -0.000 0.000 0.348 1561 H C -0.068 175.233 175.328 -0.044 0.000 1.152 1561 H CA -0.818 55.199 56.048 -0.052 0.000 1.202 1561 H CB 1.346 31.079 29.762 -0.048 0.000 1.562 1561 H HN 0.626 nan 8.280 nan 0.000 0.515 1562 Q N 2.622 122.376 119.800 -0.077 0.000 2.394 1562 Q HA 0.220 4.560 4.340 -0.000 0.000 0.259 1562 Q C -0.964 174.968 176.000 -0.113 0.000 1.021 1562 Q CA -0.528 55.260 55.803 -0.025 0.000 0.805 1562 Q CB 1.178 29.909 28.738 -0.012 0.000 1.226 1562 Q HN 0.561 nan 8.270 nan 0.000 0.476 1563 Y N 2.926 123.285 120.300 0.100 0.000 2.477 1563 Y HA 0.292 4.842 4.550 -0.000 0.000 0.349 1563 Y C 0.048 176.061 175.900 0.187 0.000 0.977 1563 Y CA -0.233 57.934 58.100 0.111 0.000 1.214 1563 Y CB 0.430 38.920 38.460 0.051 0.000 1.124 1563 Y HN 0.445 nan 8.280 nan 0.000 0.521 1564 I N 2.572 123.288 120.570 0.243 0.000 2.392 1564 I HA 0.505 4.675 4.170 -0.000 0.000 0.295 1564 I C 0.101 176.339 176.117 0.202 0.000 0.985 1564 I CA -0.359 61.064 61.300 0.205 0.000 1.221 1564 I CB 1.671 39.736 38.000 0.109 0.000 1.366 1564 I HN 0.428 nan 8.210 nan 0.000 0.467 1565 S N 4.201 120.030 115.700 0.215 0.000 2.570 1565 S HA 0.380 4.850 4.470 -0.000 0.000 0.270 1565 S C -1.086 173.586 174.600 0.119 0.000 1.149 1565 S CA -0.908 57.386 58.200 0.157 0.000 0.837 1565 S CB 1.491 64.783 63.200 0.154 0.000 1.124 1565 S HN 0.619 nan 8.310 nan 0.000 0.465 1566 Q N 2.168 122.012 119.800 0.075 0.000 2.474 1566 Q HA 0.300 4.640 4.340 -0.000 0.000 0.256 1566 Q C 0.710 176.740 176.000 0.050 0.000 1.048 1566 Q CA -0.639 55.193 55.803 0.048 0.000 0.922 1566 Q CB 0.341 29.098 28.738 0.032 0.000 1.288 1566 Q HN 0.484 nan 8.270 nan 0.000 0.484 1567 R N 1.509 122.026 120.500 0.028 0.000 2.127 1567 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 1567 R C 1.927 178.242 176.300 0.025 0.000 1.134 1567 R CA 1.448 57.561 56.100 0.022 0.000 0.975 1567 R CB -0.631 29.673 30.300 0.007 0.000 0.865 1567 R HN 0.748 nan 8.270 nan 0.000 0.447 1568 K N 0.318 120.729 120.400 0.018 0.000 2.160 1568 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 1568 K C 1.148 177.753 176.600 0.009 0.000 1.047 1568 K CA 1.704 57.996 56.287 0.009 0.000 0.930 1568 K CB -0.023 32.478 32.500 0.003 0.000 0.720 1568 K HN 0.181 nan 8.250 nan 0.000 0.450 1569 c N 0.901 119.513 118.600 0.020 0.000 2.673 1569 c HA 0.129 4.699 4.570 -0.000 0.000 0.274 1569 c C 2.030 176.137 174.090 0.027 0.000 1.276 1569 c CA -0.544 55.790 56.329 0.009 0.000 1.701 1569 c CB -0.480 42.030 42.510 -0.000 0.000 1.836 1569 c HN 0.566 nan 8.230 nan 0.000 0.596 1570 Q N 2.811 122.644 119.800 0.055 0.000 2.012 1570 Q HA -0.255 4.085 4.340 -0.000 0.000 0.211 1570 Q C 2.382 178.413 176.000 0.051 0.000 1.009 1570 Q CA 2.743 58.596 55.803 0.085 0.000 0.866 1570 Q CB -0.210 28.560 28.738 0.054 0.000 0.945 1570 Q HN 0.724 nan 8.270 nan 0.000 0.414 1571 E N -0.632 119.579 120.200 0.020 0.000 2.158 1571 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 1571 E C 1.617 178.206 176.600 -0.018 0.000 0.982 1571 E CA 1.292 57.694 56.400 0.004 0.000 0.823 1571 E CB -0.396 29.304 29.700 0.000 0.000 0.766 1571 E HN 0.384 nan 8.360 nan 0.000 0.468 1572 A N 1.144 123.946 122.820 -0.030 0.000 2.067 1572 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 1572 A C 2.376 179.907 177.584 -0.089 0.000 1.156 1572 A CA 0.450 52.454 52.037 -0.054 0.000 0.683 1572 A CB -0.317 18.650 19.000 -0.054 0.000 0.808 1572 A HN 0.239 nan 8.150 nan 0.000 0.455 1573 L N -1.643 119.521 121.223 -0.099 0.000 2.071 1573 L HA -0.013 4.327 4.340 -0.000 0.000 0.201 1573 L C 1.103 177.881 176.870 -0.153 0.000 1.076 1573 L CA 0.923 55.658 54.840 -0.176 0.000 0.755 1573 L CB -0.280 41.629 42.059 -0.250 0.000 0.915 1573 L HN 0.535 nan 8.230 nan 0.000 0.445 1574 N N 0.175 118.828 118.700 -0.078 0.000 2.783 1574 N HA -0.164 4.576 4.740 -0.000 0.000 0.247 1574 N C -0.415 175.080 175.510 -0.024 0.000 1.089 1574 N CA 0.216 53.250 53.050 -0.028 0.000 0.690 1574 N CB -1.232 37.235 38.487 -0.033 0.000 0.991 1574 N HN 0.015 nan 8.380 nan 0.000 0.552 1575 L N -0.104 121.088 121.223 -0.052 0.000 2.476 1575 L HA 0.278 4.618 4.340 -0.000 0.000 0.264 1575 L C 0.963 177.904 176.870 0.117 0.000 1.224 1575 L CA 0.725 55.534 54.840 -0.052 0.000 0.821 1575 L CB 0.569 42.486 42.059 -0.236 0.000 1.101 1575 L HN 0.382 nan 8.230 nan 0.000 0.488 1576 K N 0.035 120.547 120.400 0.187 0.000 2.502 1576 K HA 0.431 4.751 4.320 -0.000 0.000 0.257 1576 K C -1.286 175.427 176.600 0.187 0.000 0.938 1576 K CA -0.686 55.701 56.287 0.167 0.000 0.819 1576 K CB 2.210 34.790 32.500 0.134 0.000 1.333 1576 K HN 0.227 nan 8.250 nan 0.000 0.434 1577 V N 4.354 124.351 119.914 0.138 0.000 2.763 1577 V HA -0.021 4.099 4.120 -0.000 0.000 0.306 1577 V C 0.996 177.160 176.094 0.117 0.000 1.059 1577 V CA 0.362 62.737 62.300 0.125 0.000 1.138 1577 V CB 0.544 32.422 31.823 0.091 0.000 0.940 1577 V HN 1.104 nan 8.190 nan 0.000 0.489 1578 N N 0.770 119.541 118.700 0.118 0.000 2.936 1578 N HA -0.148 4.591 4.740 -0.000 0.000 0.236 1578 N C 0.150 175.677 175.510 0.029 0.000 0.930 1578 N CA 1.136 54.257 53.050 0.118 0.000 0.966 1578 N CB -0.401 38.176 38.487 0.151 0.000 1.090 1578 N HN 0.824 nan 8.380 nan 0.000 0.592 1579 D N 1.279 121.660 120.400 -0.032 0.000 2.329 1579 D HA 0.239 4.879 4.640 -0.000 0.000 0.246 1579 D C 0.106 176.147 176.300 -0.431 0.000 1.111 1579 D CA 0.257 54.066 54.000 -0.317 0.000 0.941 1579 D CB 0.652 41.256 40.800 -0.328 0.000 1.169 1579 D HN 0.018 nan 8.370 nan 0.000 0.441 1580 D N 0.145 120.157 120.400 -0.645 0.000 2.229 1580 D HA 0.390 5.030 4.640 -0.000 0.000 0.249 1580 D C -0.642 175.227 176.300 -0.718 0.000 1.027 1580 D CA -0.004 53.695 54.000 -0.502 0.000 0.923 1580 D CB 0.707 41.225 40.800 -0.470 0.000 1.174 1580 D HN 0.240 nan 8.370 nan 0.000 0.443 1581 Y N -0.112 120.132 120.300 -0.094 0.000 2.441 1581 Y HA 0.245 4.795 4.550 -0.000 0.000 0.334 1581 Y C -0.498 175.389 175.900 -0.021 0.000 1.061 1581 Y CA -1.229 56.878 58.100 0.011 0.000 1.032 1581 Y CB 1.483 39.902 38.460 -0.069 0.000 1.266 1581 Y HN 0.141 nan 8.280 nan 0.000 0.441 1582 L N 5.321 126.722 121.223 0.296 0.000 2.433 1582 L HA 0.457 4.797 4.340 -0.000 0.000 0.275 1582 L C -0.958 176.031 176.870 0.199 0.000 1.128 1582 L CA 0.342 55.316 54.840 0.222 0.000 0.875 1582 L CB -0.519 41.660 42.059 0.200 0.000 1.171 1582 L HN 0.461 nan 8.230 nan 0.000 0.463 1583 I N 5.322 125.951 120.570 0.098 0.000 2.569 1583 I HA 0.499 4.669 4.170 -0.000 0.000 0.296 1583 I C -1.345 174.735 176.117 -0.063 0.000 1.028 1583 I CA -0.667 60.613 61.300 -0.032 0.000 1.082 1583 I CB 1.739 39.590 38.000 -0.249 0.000 1.264 1583 I HN 0.842 nan 8.210 nan 0.000 0.429 1584 W N 5.193 126.337 121.300 -0.260 0.000 3.544 1584 W HA 0.785 5.445 4.660 -0.000 0.000 0.326 1584 W C -0.950 175.436 176.519 -0.222 0.000 1.137 1584 W CA -0.899 56.100 57.345 -0.576 0.000 1.252 1584 W CB 0.364 29.576 29.460 -0.414 0.000 1.302 1584 W HN 0.637 nan 8.180 nan 0.000 0.467 1585 G N 1.091 109.977 108.800 0.142 0.000 3.247 1585 G HA2 0.678 4.638 3.960 -0.000 0.000 0.226 1585 G HA3 0.678 4.638 3.960 -0.000 0.000 0.226 1585 G C -1.326 173.951 174.900 0.629 0.000 1.220 1585 G CA -0.758 44.630 45.100 0.480 0.000 0.875 1585 G HN 0.678 nan 8.290 nan 0.000 0.606 1586 S N -1.834 114.110 115.700 0.407 0.000 2.568 1586 S HA 0.461 4.931 4.470 -0.000 0.000 0.293 1586 S C 1.019 175.624 174.600 0.007 0.000 1.089 1586 S CA -0.512 57.833 58.200 0.242 0.000 0.945 1586 S CB 2.031 65.320 63.200 0.149 0.000 1.077 1586 S HN 0.575 nan 8.310 nan 0.000 0.485 1587 R N 2.032 122.487 120.500 -0.074 0.000 2.159 1587 R HA -0.004 4.336 4.340 -0.000 0.000 0.237 1587 R C 1.955 178.114 176.300 -0.235 0.000 1.131 1587 R CA 2.189 58.132 56.100 -0.262 0.000 0.982 1587 R CB -0.901 29.316 30.300 -0.138 0.000 0.868 1587 R HN 0.601 nan 8.270 nan 0.000 0.453 1588 S N 0.692 116.333 115.700 -0.098 0.000 2.392 1588 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 1588 S C 0.551 175.097 174.600 -0.090 0.000 1.041 1588 S CA 1.738 59.910 58.200 -0.047 0.000 1.026 1588 S CB -0.231 62.989 63.200 0.033 0.000 0.845 1588 S HN 0.461 nan 8.310 nan 0.000 0.465 1589 D N 0.534 120.847 120.400 -0.144 0.000 2.395 1589 D HA 0.257 4.897 4.640 -0.000 0.000 0.226 1589 D C 0.276 176.424 176.300 -0.253 0.000 1.146 1589 D CA -0.089 53.839 54.000 -0.120 0.000 0.830 1589 D CB -0.158 40.638 40.800 -0.006 0.000 0.958 1589 D HN 0.325 nan 8.370 nan 0.000 0.501 1590 L N 0.539 121.514 121.223 -0.415 0.000 2.476 1590 L HA 0.265 4.605 4.340 -0.000 0.000 0.255 1590 L C -0.214 176.546 176.870 -0.183 0.000 1.218 1590 L CA -0.201 54.372 54.840 -0.445 0.000 0.819 1590 L CB 1.014 42.793 42.059 -0.466 0.000 1.119 1590 L HN -0.030 nan 8.230 nan 0.000 0.485 1591 L N 3.473 124.627 121.223 -0.114 0.000 2.595 1591 L HA 0.386 4.726 4.340 -0.000 0.000 0.259 1591 L C -2.421 174.421 176.870 -0.047 0.000 1.033 1591 L CA -1.579 53.225 54.840 -0.060 0.000 0.901 1591 L CB 1.660 43.703 42.059 -0.027 0.000 1.151 1591 L HN 0.416 nan 8.230 nan 0.000 0.453 1592 P HA -0.006 nan 4.420 nan 0.000 0.247 1592 P C -0.624 176.661 177.300 -0.025 0.000 1.141 1592 P CA 0.926 64.003 63.100 -0.038 0.000 0.858 1592 P CB 0.308 31.988 31.700 -0.033 0.000 0.804 1593 T N 2.777 117.315 114.554 -0.025 0.000 2.938 1593 T HA 0.336 4.686 4.350 -0.000 0.000 0.285 1593 T C 0.145 174.836 174.700 -0.015 0.000 1.028 1593 T CA -0.762 61.327 62.100 -0.018 0.000 1.005 1593 T CB 0.907 69.763 68.868 -0.019 0.000 1.157 1593 T HN -0.038 nan 8.240 nan 0.000 0.550 1594 K N 2.497 122.891 120.400 -0.009 0.000 2.228 1594 K HA 0.167 4.487 4.320 -0.000 0.000 0.284 1594 K C -0.643 175.953 176.600 -0.006 0.000 1.088 1594 K CA -0.067 56.217 56.287 -0.006 0.000 0.941 1594 K CB -0.835 31.664 32.500 -0.002 0.000 1.158 1594 K HN 0.453 nan 8.250 nan 0.000 0.438 1595 D N 3.357 123.753 120.400 -0.007 0.000 2.810 1595 D HA -0.255 4.385 4.640 -0.000 0.000 0.224 1595 D C -1.013 175.284 176.300 -0.004 0.000 1.222 1595 D CA 1.216 55.213 54.000 -0.005 0.000 0.698 1595 D CB -0.923 39.877 40.800 -0.000 0.000 0.961 1595 D HN 0.728 nan 8.370 nan 0.000 0.403 1596 K N -0.937 119.455 120.400 -0.014 0.000 2.594 1596 K HA 0.311 4.631 4.320 -0.000 0.000 0.262 1596 K C -0.831 175.738 176.600 -0.052 0.000 0.954 1596 K CA -0.886 55.388 56.287 -0.022 0.000 0.917 1596 K CB 1.019 33.514 32.500 -0.009 0.000 1.343 1596 K HN 0.128 nan 8.250 nan 0.000 0.428 1597 I N 2.886 123.394 120.570 -0.103 0.000 2.337 1597 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 1597 I C -0.919 175.082 176.117 -0.194 0.000 1.046 1597 I CA 0.228 61.432 61.300 -0.159 0.000 1.324 1597 I CB 0.718 38.535 38.000 -0.305 0.000 1.409 1597 I HN 0.829 nan 8.210 nan 0.000 0.494 1598 S N 6.561 122.220 115.700 -0.068 0.000 2.542 1598 S HA 0.678 5.148 4.470 -0.000 0.000 0.293 1598 S C -1.052 173.640 174.600 0.153 0.000 1.089 1598 S CA -0.723 57.441 58.200 -0.060 0.000 0.961 1598 S CB 1.722 64.898 63.200 -0.040 0.000 1.062 1598 S HN 0.550 nan 8.310 nan 0.000 0.483 1599 Y N 0.825 120.904 120.300 -0.368 0.000 2.650 1599 Y HA 0.707 5.257 4.550 -0.000 0.000 0.331 1599 Y C 0.170 176.026 175.900 -0.073 0.000 1.082 1599 Y CA -2.291 55.669 58.100 -0.233 0.000 1.171 1599 Y CB 0.872 39.172 38.460 -0.265 0.000 1.326 1599 Y HN 0.794 nan 8.280 nan 0.000 0.513 1600 I N -0.024 120.656 120.570 0.185 0.000 2.465 1600 I HA 0.573 4.743 4.170 -0.000 0.000 0.291 1600 I C -1.113 175.119 176.117 0.192 0.000 1.014 1600 I CA -1.000 60.397 61.300 0.161 0.000 1.093 1600 I CB 1.544 39.598 38.000 0.090 0.000 1.267 1600 I HN 0.195 nan 8.210 nan 0.000 0.431 1601 I N 5.166 125.843 120.570 0.179 0.000 2.471 1601 I HA 0.306 4.476 4.170 -0.000 0.000 0.286 1601 I C 0.918 177.067 176.117 0.053 0.000 1.079 1601 I CA 0.693 62.064 61.300 0.118 0.000 1.398 1601 I CB 1.015 39.032 38.000 0.029 0.000 1.403 1601 I HN 0.848 nan 8.210 nan 0.000 0.530 1602 T N 1.682 116.260 114.554 0.039 0.000 2.907 1602 T HA 0.421 4.771 4.350 -0.000 0.000 0.290 1602 T C 0.320 175.008 174.700 -0.020 0.000 1.066 1602 T CA -1.169 60.940 62.100 0.014 0.000 1.012 1602 T CB 1.348 70.236 68.868 0.034 0.000 1.184 1602 T HN 0.639 nan 8.240 nan 0.000 0.522 1603 K N 0.803 121.186 120.400 -0.029 0.000 2.942 1603 K HA 0.034 4.354 4.320 -0.000 0.000 0.249 1603 K C 0.603 177.193 176.600 -0.017 0.000 0.911 1603 K CA 0.977 57.240 56.287 -0.040 0.000 1.100 1603 K CB -0.865 31.607 32.500 -0.047 0.000 0.952 1603 K HN 0.707 nan 8.250 nan 0.000 0.467 1604 N N -0.838 117.861 118.700 -0.002 0.000 1.910 1604 N HA -0.058 4.682 4.740 -0.000 0.000 0.254 1604 N C -0.898 174.636 175.510 0.040 0.000 1.331 1604 N CA -0.162 52.908 53.050 0.034 0.000 0.775 1604 N CB 0.902 39.413 38.487 0.040 0.000 1.288 1604 N HN 0.022 nan 8.380 nan 0.000 0.522 1605 T N 0.995 115.564 114.554 0.025 0.000 2.832 1605 T HA 0.161 4.511 4.350 -0.000 0.000 0.296 1605 T C -1.589 173.041 174.700 -0.116 0.000 0.968 1605 T CA -0.164 61.946 62.100 0.016 0.000 1.107 1605 T CB 0.355 69.293 68.868 0.116 0.000 0.916 1605 T HN 0.261 nan 8.240 nan 0.000 0.517 1606 W N 7.628 128.607 121.300 -0.534 0.000 2.338 1606 W HA 0.438 5.098 4.660 -0.000 0.000 0.315 1606 W C -1.739 174.403 176.519 -0.629 0.000 1.005 1606 W CA -1.787 55.106 57.345 -0.753 0.000 1.380 1606 W CB -0.195 28.361 29.460 -1.506 0.000 1.235 1606 W HN 0.392 nan 8.180 nan 0.000 0.409 1607 I N 3.470 123.817 120.570 -0.373 0.000 2.577 1607 I HA 0.477 4.647 4.170 -0.000 0.000 0.300 1607 I C 0.429 176.353 176.117 -0.323 0.000 0.990 1607 I CA -0.508 60.618 61.300 -0.291 0.000 1.283 1607 I CB 1.197 38.950 38.000 -0.412 0.000 1.411 1607 I HN 0.504 nan 8.210 nan 0.000 0.515 1608 E N 1.715 121.913 120.200 -0.004 0.000 4.442 1608 E HA 0.710 5.060 4.350 -0.000 0.000 0.185 1608 E C -0.939 175.848 176.600 0.312 0.000 1.080 1608 E CA -0.779 55.667 56.400 0.077 0.000 0.993 1608 E CB 1.167 31.017 29.700 0.250 0.000 1.905 1608 E HN 0.504 nan 8.360 nan 0.000 0.416 1609 R N 0.333 121.032 120.500 0.333 0.000 3.070 1609 R HA 0.188 4.528 4.340 -0.000 0.000 0.249 1609 R C -2.535 173.885 176.300 0.201 0.000 1.124 1609 R CA -0.496 55.702 56.100 0.164 0.000 1.111 1609 R CB 0.512 30.855 30.300 0.071 0.000 1.268 1609 R HN 0.452 nan 8.270 nan 0.000 0.466 1610 W N 8.422 129.576 121.300 -0.244 0.000 2.687 1610 W HA 0.469 5.129 4.660 -0.000 0.000 0.328 1610 W C -2.758 173.537 176.519 -0.373 0.000 1.012 1610 W CA -2.249 55.069 57.345 -0.045 0.000 1.262 1610 W CB 1.846 31.385 29.460 0.133 0.000 1.331 1610 W HN 0.543 nan 8.180 nan 0.000 0.433 1611 P HA -0.082 nan 4.420 nan 0.000 0.269 1611 P C -0.198 177.039 177.300 -0.105 0.000 1.211 1611 P CA 0.663 63.460 63.100 -0.505 0.000 0.781 1611 P CB 0.835 32.015 31.700 -0.867 0.000 0.877 1612 H N 0.653 119.660 119.070 -0.104 0.000 2.505 1612 H HA 0.077 4.633 4.556 -0.000 0.000 0.351 1612 H C 1.386 176.723 175.328 0.016 0.000 1.151 1612 H CA -0.220 55.831 56.048 0.003 0.000 1.339 1612 H CB 0.800 30.561 29.762 -0.002 0.000 1.483 1612 H HN 0.594 nan 8.280 nan 0.000 0.558 1613 E N 1.819 122.154 120.200 0.225 0.000 2.113 1613 E HA -0.292 4.058 4.350 -0.000 0.000 0.210 1613 E C 0.627 177.275 176.600 0.081 0.000 1.040 1613 E CA 2.137 58.608 56.400 0.118 0.000 0.847 1613 E CB 0.271 30.019 29.700 0.080 0.000 0.755 1613 E HN 0.623 nan 8.360 nan 0.000 0.459 1614 D N 0.282 120.721 120.400 0.065 0.000 2.087 1614 D HA -0.191 4.449 4.640 -0.000 0.000 0.192 1614 D C 1.840 178.202 176.300 0.103 0.000 0.993 1614 D CA 1.472 55.506 54.000 0.056 0.000 0.828 1614 D CB -0.616 40.196 40.800 0.020 0.000 0.968 1614 D HN 0.389 nan 8.370 nan 0.000 0.448 1615 E N 0.170 120.463 120.200 0.155 0.000 2.147 1615 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 1615 E C 2.251 179.024 176.600 0.288 0.000 1.005 1615 E CA 0.900 57.464 56.400 0.273 0.000 0.810 1615 E CB -0.358 29.498 29.700 0.261 0.000 0.736 1615 E HN 0.236 nan 8.360 nan 0.000 0.460 1616 c N 1.315 119.998 118.600 0.138 0.000 2.385 1616 c HA -0.221 4.349 4.570 -0.000 0.000 0.275 1616 c C 2.575 176.729 174.090 0.106 0.000 1.199 1616 c CA 1.130 57.516 56.329 0.095 0.000 1.782 1616 c CB -0.892 41.638 42.510 0.034 0.000 2.068 1616 c HN 0.496 nan 8.230 nan 0.000 0.471 1617 Q N 0.666 120.515 119.800 0.083 0.000 2.242 1617 Q HA -0.153 4.187 4.340 -0.000 0.000 0.211 1617 Q C 0.829 176.850 176.000 0.035 0.000 0.992 1617 Q CA 1.399 57.231 55.803 0.048 0.000 0.889 1617 Q CB -0.515 28.245 28.738 0.037 0.000 0.913 1617 Q HN 0.785 nan 8.270 nan 0.000 0.422 1618 E N 0.185 120.416 120.200 0.051 0.000 2.314 1618 E HA 0.135 4.485 4.350 -0.000 0.000 0.262 1618 E C 0.429 176.996 176.600 -0.056 0.000 1.093 1618 E CA -0.274 56.107 56.400 -0.031 0.000 0.908 1618 E CB 0.569 30.198 29.700 -0.119 0.000 1.091 1618 E HN 0.092 nan 8.360 nan 0.000 0.425 1619 E N 0.746 120.887 120.200 -0.097 0.000 2.502 1619 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 1619 E C 1.429 177.949 176.600 -0.133 0.000 1.062 1619 E CA 0.263 56.611 56.400 -0.085 0.000 0.867 1619 E CB 0.236 29.893 29.700 -0.072 0.000 0.888 1619 E HN 0.567 nan 8.360 nan 0.000 0.510 1620 E N -0.833 119.204 120.200 -0.271 0.000 2.216 1620 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 1620 E C 0.918 177.400 176.600 -0.198 0.000 0.988 1620 E CA 0.797 56.951 56.400 -0.410 0.000 0.834 1620 E CB 0.186 29.355 29.700 -0.885 0.000 0.772 1620 E HN 0.376 nan 8.360 nan 0.000 0.479 1621 F N -0.270 119.637 119.950 -0.071 0.000 2.699 1621 F HA 0.044 4.571 4.527 -0.000 0.000 0.295 1621 F C 2.348 178.066 175.800 -0.136 0.000 1.052 1621 F CA -0.281 57.651 58.000 -0.114 0.000 1.239 1621 F CB 0.179 39.114 39.000 -0.109 0.000 1.018 1621 F HN -0.060 nan 8.300 nan 0.000 0.627 1622 Q N 1.330 121.179 119.800 0.082 0.000 2.047 1622 Q HA -0.272 4.068 4.340 -0.000 0.000 0.211 1622 Q C 1.635 177.615 176.000 -0.034 0.000 1.005 1622 Q CA 1.458 57.267 55.803 0.010 0.000 0.866 1622 Q CB -0.687 28.053 28.738 0.003 0.000 0.938 1622 Q HN 0.177 nan 8.270 nan 0.000 0.414 1623 K N 0.715 121.101 120.400 -0.023 0.000 2.034 1623 K HA -0.165 4.155 4.320 -0.000 0.000 0.214 1623 K C 2.152 178.696 176.600 -0.092 0.000 1.051 1623 K CA 1.181 57.446 56.287 -0.038 0.000 0.931 1623 K CB -0.815 31.673 32.500 -0.020 0.000 0.715 1623 K HN 0.229 nan 8.250 nan 0.000 0.446 1624 L N 0.991 122.128 121.223 -0.144 0.000 1.948 1624 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 1624 L C 2.565 179.123 176.870 -0.520 0.000 1.074 1624 L CA 1.732 56.357 54.840 -0.360 0.000 0.753 1624 L CB -0.863 40.913 42.059 -0.471 0.000 0.888 1624 L HN 0.202 nan 8.230 nan 0.000 0.432 1625 c N -0.432 117.878 118.600 -0.483 0.000 2.385 1625 c HA -0.273 4.297 4.570 -0.000 0.000 0.275 1625 c C 2.611 176.559 174.090 -0.237 0.000 1.199 1625 c CA 1.238 57.301 56.329 -0.443 0.000 1.782 1625 c CB -1.169 41.201 42.510 -0.233 0.000 2.068 1625 c HN 0.669 nan 8.230 nan 0.000 0.471 1626 D N 0.324 120.643 120.400 -0.135 0.000 2.084 1626 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 1626 D C 1.585 177.885 176.300 -0.001 0.000 0.990 1626 D CA 1.480 55.455 54.000 -0.043 0.000 0.826 1626 D CB -0.359 40.426 40.800 -0.025 0.000 0.971 1626 D HN 0.442 nan 8.370 nan 0.000 0.453 1627 D N -0.196 120.193 120.400 -0.018 0.000 2.116 1627 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 1627 D C 2.068 178.490 176.300 0.204 0.000 0.998 1627 D CA 0.699 54.745 54.000 0.077 0.000 0.836 1627 D CB -0.487 40.350 40.800 0.062 0.000 0.951 1627 D HN 0.256 nan 8.370 nan 0.000 0.449 1628 F N 1.402 121.223 119.950 -0.215 0.000 1.997 1628 F HA -0.112 4.415 4.527 -0.000 0.000 0.296 1628 F C 2.688 178.482 175.800 -0.009 0.000 1.160 1628 F CA 0.584 58.395 58.000 -0.315 0.000 1.176 1628 F CB -1.491 36.912 39.000 -0.996 0.000 0.964 1628 F HN -0.073 nan 8.300 nan 0.000 0.484 1629 A N -0.403 122.537 122.820 0.200 0.000 1.954 1629 A HA -0.367 3.953 4.320 -0.000 0.000 0.222 1629 A C 2.211 179.949 177.584 0.257 0.000 1.199 1629 A CA 2.443 54.622 52.037 0.237 0.000 0.657 1629 A CB -1.304 17.782 19.000 0.142 0.000 0.823 1629 A HN 0.575 nan 8.150 nan 0.000 0.463 1630 Q N -1.657 118.271 119.800 0.214 0.000 1.993 1630 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 1630 Q C 1.838 177.992 176.000 0.257 0.000 0.984 1630 Q CA 1.961 57.893 55.803 0.214 0.000 0.837 1630 Q CB -0.328 28.501 28.738 0.152 0.000 0.902 1630 Q HN 0.679 nan 8.270 nan 0.000 0.423 1631 F N 0.926 120.938 119.950 0.103 0.000 2.025 1631 F HA -0.399 4.128 4.527 -0.000 0.000 0.297 1631 F C 2.649 178.513 175.800 0.108 0.000 1.171 1631 F CA 2.549 60.590 58.000 0.067 0.000 1.204 1631 F CB -1.172 37.840 39.000 0.020 0.000 0.948 1631 F HN 0.279 nan 8.300 nan 0.000 0.512 1632 S N -0.362 115.667 115.700 0.548 0.000 2.425 1632 S HA -0.451 4.019 4.470 -0.000 0.000 0.256 1632 S C 2.018 176.760 174.600 0.236 0.000 1.101 1632 S CA 2.179 60.628 58.200 0.415 0.000 1.188 1632 S CB -1.667 61.900 63.200 0.612 0.000 1.085 1632 S HN 0.667 nan 8.310 nan 0.000 0.439 1633 Y N 1.928 122.319 120.300 0.151 0.000 2.097 1633 Y HA -0.088 4.462 4.550 -0.000 0.000 0.282 1633 Y C 2.880 178.862 175.900 0.136 0.000 1.152 1633 Y CA 2.354 60.530 58.100 0.127 0.000 1.136 1633 Y CB -1.273 37.269 38.460 0.136 0.000 0.975 1633 Y HN 0.384 nan 8.280 nan 0.000 0.498 1634 T N 1.108 115.706 114.554 0.073 0.000 2.665 1634 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 1634 T C 2.044 176.718 174.700 -0.042 0.000 1.035 1634 T CA 1.945 64.017 62.100 -0.047 0.000 1.151 1634 T CB -0.490 68.293 68.868 -0.143 0.000 0.862 1634 T HN 0.304 nan 8.240 nan 0.000 0.438 1635 L N -0.054 121.034 121.223 -0.225 0.000 2.127 1635 L HA -0.041 4.299 4.340 -0.000 0.000 0.203 1635 L C 2.922 179.711 176.870 -0.134 0.000 1.080 1635 L CA 1.067 55.761 54.840 -0.243 0.000 0.768 1635 L CB -0.948 40.828 42.059 -0.472 0.000 0.924 1635 L HN 0.264 nan 8.230 nan 0.000 0.444 1636 T N -0.047 114.448 114.554 -0.100 0.000 2.597 1636 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 1636 T C 1.390 176.002 174.700 -0.146 0.000 1.053 1636 T CA 1.639 63.698 62.100 -0.069 0.000 1.165 1636 T CB -0.172 68.697 68.868 0.001 0.000 0.863 1636 T HN 0.368 nan 8.240 nan 0.000 0.427 1637 E N -0.333 119.717 120.200 -0.252 0.000 2.444 1637 E HA 0.218 4.568 4.350 -0.000 0.000 0.191 1637 E C -0.825 175.219 176.600 -0.927 0.000 1.041 1637 E CA -0.071 56.000 56.400 -0.549 0.000 0.883 1637 E CB 0.227 29.507 29.700 -0.701 0.000 1.024 1637 E HN 0.469 nan 8.360 nan 0.000 0.470 1638 F N -0.492 119.318 119.950 -0.234 0.000 2.588 1638 F HA 0.363 4.890 4.527 -0.000 0.000 0.314 1638 F C 0.849 176.553 175.800 -0.160 0.000 1.134 1638 F CA -1.422 56.471 58.000 -0.178 0.000 0.961 1638 F CB 1.096 39.990 39.000 -0.178 0.000 1.239 1638 F HN -0.179 nan 8.300 nan 0.000 0.448 1639 G N 0.373 109.197 108.800 0.042 0.000 2.785 1639 G HA2 0.108 4.067 3.960 -0.000 0.000 0.256 1639 G HA3 0.108 4.067 3.960 -0.000 0.000 0.256 1639 G C -0.291 174.586 174.900 -0.038 0.000 1.248 1639 G CA -0.523 44.567 45.100 -0.016 0.000 0.914 1639 G HN 0.839 nan 8.290 nan 0.000 0.580 1640 c N 1.516 120.075 118.600 -0.069 0.000 2.596 1640 c HA 0.123 4.693 4.570 -0.000 0.000 0.414 1640 c C 0.055 174.102 174.090 -0.071 0.000 1.396 1640 c CA -0.504 55.770 56.329 -0.092 0.000 1.698 1640 c CB 0.500 42.954 42.510 -0.094 0.000 2.572 1640 c HN 0.632 nan 8.230 nan 0.000 0.604 1641 P HA -0.142 nan 4.420 nan 0.000 0.219 1641 P C 0.892 178.162 177.300 -0.051 0.000 1.161 1641 P CA 1.867 64.926 63.100 -0.069 0.000 0.909 1641 P CB -0.176 31.476 31.700 -0.080 0.000 0.793 1642 T N 0.000 114.524 114.554 -0.051 0.000 3.816 1642 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1642 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 1642 T CB 0.000 68.848 68.868 -0.034 0.000 0.612 1642 T HN 0.000 nan 8.240 nan 0.000 0.658