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 1qxp_1_B DATA FIRST_RESID 0 DATA SEQUENCE EXAGIAMKLA KDREAAEGLG SHERAIKYLN QDYETLRNEC LEAGALFQDP DATA SEQUENCE AFPPVSHSLG FKELGPNSSK TYGIKWKRPT ELLSNPQFIV DGATRTDICQ DATA SEQUENCE GALGDSWLLA AIASLTLNET ILHRVVPYGQ SFQEGYAGIF HFQLWQFGEW DATA SEQUENCE VDVVVDDLLP TKDGKLVFVH SAQGNEFWSA LLEKAYAKVN GSYEALSGGC DATA SEQUENCE TSEAFEDFTG GVTEWYDLQK APSDLYQIIL KALERGSLLG CSINXXXXXX DATA SEQUENCE XXXXXXKNLV XGHAYSVTDA KQVTYQGQRV NLIRMRNPWG EVEWKGPWSX DATA SEQUENCE XXXEWNXXDP YEREQLRVKM EDGEFWMSFR DFIREFTKLE ICNLTPDALK DATA SEQUENCE SRXXRNWNTT FYEGTWRRGS TAGGCRNYPA TFWVNPQFKI RLEEVDDADD DATA SEQUENCE YDSRESGCSF LLALMQKHRX XXXXFGRDME TIGFAVYQVP RELAGXPVHL DATA SEQUENCE KRDFFLANAS RAQSEHFINL REVSNRIRLP PGEYIVVPST FEPNKEGDFL DATA SEQUENCE LRFFSEKKAG TQELDDQIQA NLPDEKVXXX XXXXXXXKTL FXXXXXXXXX DATA SEQUENCE ISVKELQTIL NXXXXXXXXX RTNGFSLESC RSMVNLMDXX XXXXLGLVEF DATA SEQUENCE NILWNRIRNY LTIFRKFDLD KSGSMSAYEM RMAIEAAGFK LPCQLHQVIV DATA SEQUENCE ARFADDELII DFDNFVRCLV RLEILFKIFK QLDPENTGTI QLDLISWLSF DATA SEQUENCE SVLXXXXXXX MHYSNXXXNE SXXERQFRKL FVQLXXXXME VSATELMXXX DATA SEQUENCE XXXXXXXXXX XXXXFGIDTC RSMVAVMDSD TTGKLGFEEF KYLWNNIKKW DATA SEQUENCE QGIXXRFETD RSGXXXXXXX PGAFEAAGFH LNQHIYSMII RXXSDETGNM DATA SEQUENCE DFDNFISCLV RLDAMFRAFR SLDKNGTGQI QVNIQEWLQL TMYS 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 0 E HA 0.000 nan 4.350 nan 0.000 0.291 0 E C 0.000 176.784 176.600 0.307 0.000 1.382 0 E CA 0.000 56.507 56.400 0.178 0.000 0.976 0 E CB 0.000 29.805 29.700 0.175 0.000 0.812 3 G N -0.535 108.228 108.800 -0.061 0.000 2.527 3 G HA2 -0.077 3.881 3.960 -0.003 0.000 0.268 3 G HA3 -0.077 3.881 3.960 -0.003 0.000 0.268 3 G C 0.960 175.868 174.900 0.012 0.000 1.175 3 G CA 1.559 46.627 45.100 -0.053 0.000 0.962 3 G HN 2.168 nan 8.290 nan 0.000 0.560 4 I N -0.498 120.107 120.570 0.058 0.000 2.127 4 I HA 0.205 4.374 4.170 -0.003 0.000 0.241 4 I C 3.185 179.328 176.117 0.044 0.000 1.075 4 I CA 3.061 64.419 61.300 0.098 0.000 1.334 4 I CB -1.639 36.459 38.000 0.162 0.000 1.040 4 I HN 1.611 nan 8.210 nan 0.000 0.405 5 A N -0.289 122.556 122.820 0.041 0.000 2.171 5 A HA -0.278 4.040 4.320 -0.003 0.000 0.223 5 A C 2.226 179.807 177.584 -0.004 0.000 1.166 5 A CA 2.724 54.773 52.037 0.020 0.000 0.668 5 A CB -0.869 18.153 19.000 0.037 0.000 0.807 5 A HN 0.599 nan 8.150 nan 0.000 0.475 6 M N -1.179 118.419 119.600 -0.004 0.000 2.257 6 M HA 0.099 4.577 4.480 -0.003 0.000 0.260 6 M C 1.930 178.223 176.300 -0.013 0.000 1.102 6 M CA 1.379 56.670 55.300 -0.015 0.000 1.169 6 M CB -0.404 32.182 32.600 -0.023 0.000 1.323 6 M HN 0.173 nan 8.290 nan 0.000 0.447 7 K N 0.482 120.879 120.400 -0.005 0.000 2.077 7 K HA -0.190 4.129 4.320 -0.003 0.000 0.213 7 K C 1.867 178.461 176.600 -0.010 0.000 1.051 7 K CA 1.804 58.087 56.287 -0.007 0.000 0.929 7 K CB -0.919 31.582 32.500 0.002 0.000 0.715 7 K HN 0.419 nan 8.250 nan 0.000 0.451 8 L N -0.360 120.858 121.223 -0.008 0.000 2.023 8 L HA -0.092 4.246 4.340 -0.003 0.000 0.205 8 L C 2.614 179.471 176.870 -0.022 0.000 1.073 8 L CA 1.162 55.994 54.840 -0.014 0.000 0.745 8 L CB -0.909 41.142 42.059 -0.014 0.000 0.900 8 L HN 0.064 nan 8.230 nan 0.000 0.435 9 A N 1.028 123.830 122.820 -0.029 0.000 1.985 9 A HA -0.360 3.958 4.320 -0.003 0.000 0.223 9 A C 2.626 180.198 177.584 -0.020 0.000 1.189 9 A CA 3.273 55.290 52.037 -0.034 0.000 0.658 9 A CB -0.926 18.053 19.000 -0.036 0.000 0.820 9 A HN 0.432 nan 8.150 nan 0.000 0.464 10 K N -0.643 119.749 120.400 -0.014 0.000 2.025 10 K HA -0.172 4.146 4.320 -0.003 0.000 0.207 10 K C 1.666 178.267 176.600 0.003 0.000 1.049 10 K CA 1.835 58.119 56.287 -0.005 0.000 0.933 10 K CB -1.143 31.352 32.500 -0.008 0.000 0.714 10 K HN 0.517 nan 8.250 nan 0.000 0.438 11 D N -0.039 120.361 120.400 -0.001 0.000 2.265 11 D HA -0.093 4.546 4.640 -0.003 0.000 0.208 11 D C 1.985 178.291 176.300 0.011 0.000 0.977 11 D CA 0.797 54.802 54.000 0.007 0.000 0.871 11 D CB -0.022 40.778 40.800 -0.000 0.000 0.925 11 D HN 0.505 nan 8.370 nan 0.000 0.485 12 R N 0.226 120.726 120.500 0.001 0.000 2.161 12 R HA 0.033 4.372 4.340 -0.003 0.000 0.213 12 R C 1.899 178.204 176.300 0.008 0.000 1.055 12 R CA 0.587 56.686 56.100 -0.002 0.000 0.996 12 R CB 0.068 30.357 30.300 -0.019 0.000 0.901 12 R HN 0.334 nan 8.270 nan 0.000 0.456 13 E N 1.104 121.312 120.200 0.012 0.000 2.051 13 E HA -0.050 4.299 4.350 -0.003 0.000 0.189 13 E C 2.091 178.716 176.600 0.042 0.000 0.979 13 E CA 0.797 57.210 56.400 0.022 0.000 0.803 13 E CB -0.114 29.600 29.700 0.023 0.000 0.761 13 E HN 0.244 nan 8.360 nan 0.000 0.451 14 A N 2.263 125.113 122.820 0.051 0.000 1.848 14 A HA -0.288 4.030 4.320 -0.003 0.000 0.217 14 A C 2.537 180.172 177.584 0.085 0.000 1.220 14 A CA 2.546 54.632 52.037 0.080 0.000 0.645 14 A CB -1.407 17.645 19.000 0.088 0.000 0.842 14 A HN 0.312 nan 8.150 nan 0.000 0.451 15 A N -0.418 122.443 122.820 0.067 0.000 1.962 15 A HA -0.354 3.964 4.320 -0.003 0.000 0.239 15 A C 1.603 179.215 177.584 0.046 0.000 1.810 15 A CA 2.506 54.572 52.037 0.049 0.000 0.738 15 A CB -1.095 17.921 19.000 0.027 0.000 0.839 15 A HN 0.758 nan 8.150 nan 0.000 0.533 16 E N -1.665 118.559 120.200 0.041 0.000 2.403 16 E HA 0.366 4.714 4.350 -0.003 0.000 0.188 16 E C 1.109 177.737 176.600 0.047 0.000 1.056 16 E CA 0.271 56.691 56.400 0.035 0.000 0.892 16 E CB -0.222 29.490 29.700 0.020 0.000 1.049 16 E HN 1.013 nan 8.360 nan 0.000 0.465 17 G N 1.511 110.352 108.800 0.068 0.000 2.176 17 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.253 17 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.253 17 G C 0.078 175.038 174.900 0.099 0.000 0.979 17 G CA -0.141 45.011 45.100 0.087 0.000 0.641 17 G HN 0.263 nan 8.290 nan 0.000 0.530 18 L N 1.406 122.681 121.223 0.086 0.000 2.456 18 L HA 0.572 4.910 4.340 -0.003 0.000 0.277 18 L C 1.404 178.341 176.870 0.112 0.000 1.124 18 L CA 1.595 56.487 54.840 0.087 0.000 0.880 18 L CB 0.408 42.507 42.059 0.066 0.000 1.192 18 L HN 1.301 nan 8.230 nan 0.000 0.463 19 G N 1.988 110.876 108.800 0.147 0.000 2.318 19 G HA2 -0.170 3.788 3.960 -0.003 0.000 0.172 19 G HA3 -0.170 3.788 3.960 -0.003 0.000 0.172 19 G C 0.050 175.103 174.900 0.255 0.000 1.002 19 G CA 0.024 45.222 45.100 0.163 0.000 0.697 19 G HN 0.859 nan 8.290 nan 0.000 0.483 20 S N -0.498 115.346 115.700 0.240 0.000 2.578 20 S HA 0.551 5.020 4.470 -0.003 0.000 0.283 20 S C 0.881 175.626 174.600 0.242 0.000 1.195 20 S CA 0.310 58.678 58.200 0.279 0.000 1.050 20 S CB 1.724 65.031 63.200 0.180 0.000 1.012 20 S HN 0.425 nan 8.310 nan 0.000 0.511 21 H N 1.668 120.699 119.070 -0.065 0.000 2.431 21 H HA -0.201 4.353 4.556 -0.003 0.000 0.297 21 H C 1.904 177.131 175.328 -0.169 0.000 1.115 21 H CA 1.966 57.742 56.048 -0.452 0.000 1.277 21 H CB 0.109 29.321 29.762 -0.918 0.000 1.372 21 H HN 0.925 nan 8.280 nan 0.000 0.516 22 E N 0.660 120.806 120.200 -0.089 0.000 2.472 22 E HA -0.099 4.250 4.350 -0.003 0.000 0.200 22 E C 0.099 176.684 176.600 -0.024 0.000 1.046 22 E CA 0.462 56.785 56.400 -0.127 0.000 0.871 22 E CB 0.167 29.805 29.700 -0.103 0.000 0.806 22 E HN 0.383 nan 8.360 nan 0.000 0.533 23 R N 0.197 120.727 120.500 0.051 0.000 2.912 23 R HA 0.407 4.746 4.340 -0.003 0.000 0.278 23 R C -1.591 174.794 176.300 0.142 0.000 1.533 23 R CA -0.139 56.010 56.100 0.082 0.000 1.061 23 R CB 1.972 32.316 30.300 0.073 0.000 1.313 23 R HN 0.136 nan 8.270 nan 0.000 0.443 24 A N 3.582 126.494 122.820 0.153 0.000 2.330 24 A HA 0.619 4.938 4.320 -0.003 0.000 0.327 24 A C 0.104 177.783 177.584 0.159 0.000 1.155 24 A CA -0.685 51.474 52.037 0.203 0.000 0.803 24 A CB 0.629 19.787 19.000 0.263 0.000 1.208 24 A HN 0.583 nan 8.150 nan 0.000 0.477 25 I N 0.951 121.614 120.570 0.154 0.000 3.045 25 I HA 0.008 4.176 4.170 -0.003 0.000 0.288 25 I C 0.597 176.808 176.117 0.156 0.000 1.238 25 I CA 0.846 62.223 61.300 0.129 0.000 1.396 25 I CB 0.487 38.557 38.000 0.117 0.000 1.355 25 I HN 0.527 nan 8.210 nan 0.000 0.601 26 K N 5.048 125.529 120.400 0.135 0.000 2.347 26 K HA 0.215 4.533 4.320 -0.003 0.000 0.262 26 K C -0.971 175.743 176.600 0.190 0.000 1.052 26 K CA -0.831 55.550 56.287 0.156 0.000 0.946 26 K CB 0.489 33.051 32.500 0.104 0.000 1.220 26 K HN 0.344 nan 8.250 nan 0.000 0.450 27 Y N 4.218 124.571 120.300 0.089 0.000 2.863 27 Y HA -0.229 4.319 4.550 -0.003 0.000 0.359 27 Y C 0.599 176.548 175.900 0.081 0.000 1.312 27 Y CA 0.793 58.943 58.100 0.082 0.000 1.650 27 Y CB -0.329 38.189 38.460 0.097 0.000 1.201 27 Y HN 0.681 nan 8.280 nan 0.000 0.531 28 L N 4.099 125.133 121.223 -0.315 0.000 4.089 28 L HA -0.482 3.856 4.340 -0.003 0.000 0.408 28 L C 0.824 177.669 176.870 -0.042 0.000 1.184 28 L CA 0.695 55.402 54.840 -0.223 0.000 0.947 28 L CB -1.966 39.916 42.059 -0.294 0.000 2.066 28 L HN 0.883 nan 8.230 nan 0.000 0.851 29 N N -2.150 116.547 118.700 -0.005 0.000 2.857 29 N HA -0.218 4.521 4.740 -0.003 0.000 0.242 29 N C 0.382 175.916 175.510 0.040 0.000 0.983 29 N CA 1.845 54.908 53.050 0.022 0.000 0.934 29 N CB -0.641 37.853 38.487 0.012 0.000 1.115 29 N HN 0.793 nan 8.380 nan 0.000 0.593 30 Q N 1.090 120.927 119.800 0.061 0.000 2.300 30 Q HA 0.230 4.568 4.340 -0.003 0.000 0.280 30 Q C -0.325 175.709 176.000 0.056 0.000 1.033 30 Q CA 0.510 56.359 55.803 0.077 0.000 0.903 30 Q CB 0.731 29.552 28.738 0.137 0.000 1.195 30 Q HN 0.087 nan 8.270 nan 0.000 0.386 31 D N 0.714 121.118 120.400 0.007 0.000 2.629 31 D HA 0.076 4.715 4.640 -0.003 0.000 0.250 31 D C -0.355 175.884 176.300 -0.102 0.000 1.126 31 D CA -0.618 53.369 54.000 -0.022 0.000 0.852 31 D CB 0.872 41.656 40.800 -0.026 0.000 1.335 31 D HN 0.511 nan 8.370 nan 0.000 0.518 32 Y N 3.808 123.949 120.300 -0.266 0.000 2.034 32 Y HA -0.156 4.393 4.550 -0.003 0.000 0.269 32 Y C 1.849 177.548 175.900 -0.335 0.000 1.125 32 Y CA 1.989 59.841 58.100 -0.413 0.000 1.097 32 Y CB -0.007 37.983 38.460 -0.785 0.000 0.978 32 Y HN 0.519 nan 8.280 nan 0.000 0.480 33 E N -0.410 119.584 120.200 -0.343 0.000 2.171 33 E HA -0.205 4.144 4.350 -0.003 0.000 0.197 33 E C 1.981 178.374 176.600 -0.345 0.000 0.997 33 E CA 1.843 58.015 56.400 -0.380 0.000 0.810 33 E CB -0.179 29.453 29.700 -0.114 0.000 0.738 33 E HN 0.604 nan 8.360 nan 0.000 0.467 34 T N 1.498 115.903 114.554 -0.249 0.000 2.564 34 T HA -0.123 4.225 4.350 -0.003 0.000 0.259 34 T C 2.069 176.641 174.700 -0.213 0.000 1.087 34 T CA 1.313 63.303 62.100 -0.183 0.000 1.184 34 T CB -0.393 68.406 68.868 -0.114 0.000 0.864 34 T HN 0.120 nan 8.240 nan 0.000 0.403 35 L N 0.661 121.741 121.223 -0.239 0.000 1.951 35 L HA -0.221 4.118 4.340 -0.003 0.000 0.222 35 L C 2.923 179.585 176.870 -0.346 0.000 1.078 35 L CA 1.822 56.505 54.840 -0.262 0.000 0.778 35 L CB -0.719 41.112 42.059 -0.381 0.000 0.893 35 L HN 0.237 nan 8.230 nan 0.000 0.436 36 R N 0.537 120.700 120.500 -0.562 0.000 2.133 36 R HA -0.264 4.074 4.340 -0.003 0.000 0.245 36 R C 2.008 178.087 176.300 -0.368 0.000 1.137 36 R CA 2.700 58.467 56.100 -0.556 0.000 0.947 36 R CB -0.580 29.204 30.300 -0.859 0.000 0.865 36 R HN 0.523 nan 8.270 nan 0.000 0.437 37 N N -0.310 118.184 118.700 -0.343 0.000 2.069 37 N HA -0.205 4.534 4.740 -0.003 0.000 0.191 37 N C 1.763 177.181 175.510 -0.153 0.000 1.031 37 N CA 1.373 54.290 53.050 -0.222 0.000 0.852 37 N CB -0.107 38.271 38.487 -0.181 0.000 1.018 37 N HN 0.305 nan 8.380 nan 0.000 0.423 38 E N 0.334 120.452 120.200 -0.136 0.000 2.108 38 E HA -0.244 4.104 4.350 -0.003 0.000 0.203 38 E C 2.014 178.569 176.600 -0.075 0.000 1.022 38 E CA 1.565 57.915 56.400 -0.084 0.000 0.823 38 E CB -0.026 29.632 29.700 -0.071 0.000 0.744 38 E HN 0.403 nan 8.360 nan 0.000 0.456 39 C N -0.499 118.745 119.300 -0.094 0.000 2.455 39 C HA -0.120 4.338 4.460 -0.003 0.000 0.281 39 C C 2.463 177.409 174.990 -0.074 0.000 1.237 39 C CA 0.341 59.320 59.018 -0.066 0.000 1.726 39 C CB -1.069 26.620 27.740 -0.085 0.000 2.068 39 C HN 0.447 nan 8.230 nan 0.000 0.466 40 L N 1.170 122.328 121.223 -0.109 0.000 2.030 40 L HA -0.221 4.117 4.340 -0.003 0.000 0.222 40 L C 2.550 179.386 176.870 -0.057 0.000 1.082 40 L CA 1.969 56.755 54.840 -0.090 0.000 0.785 40 L CB -0.962 41.029 42.059 -0.114 0.000 0.895 40 L HN 0.354 nan 8.230 nan 0.000 0.439 41 E N -0.942 119.224 120.200 -0.057 0.000 2.110 41 E HA -0.144 4.204 4.350 -0.003 0.000 0.193 41 E C 2.208 178.792 176.600 -0.026 0.000 0.988 41 E CA 1.268 57.644 56.400 -0.039 0.000 0.804 41 E CB -0.415 29.260 29.700 -0.041 0.000 0.745 41 E HN 0.548 nan 8.360 nan 0.000 0.458 42 A N -0.219 122.585 122.820 -0.026 0.000 2.067 42 A HA 0.073 4.392 4.320 -0.003 0.000 0.219 42 A C 1.770 179.350 177.584 -0.007 0.000 1.158 42 A CA 1.658 53.688 52.037 -0.013 0.000 0.661 42 A CB -0.322 18.673 19.000 -0.009 0.000 0.801 42 A HN 0.331 nan 8.150 nan 0.000 0.452 43 G N -3.239 105.555 108.800 -0.011 0.000 2.144 43 G HA2 0.293 4.251 3.960 -0.003 0.000 0.218 43 G HA3 0.293 4.251 3.960 -0.003 0.000 0.218 43 G C 0.114 175.020 174.900 0.010 0.000 0.988 43 G CA 0.382 45.482 45.100 0.001 0.000 0.659 43 G HN 1.867 nan 8.290 nan 0.000 0.522 44 A N -0.729 122.092 122.820 0.001 0.000 2.606 44 A HA 0.825 5.144 4.320 -0.003 0.000 0.293 44 A C -0.284 177.304 177.584 0.007 0.000 1.082 44 A CA -0.692 51.352 52.037 0.012 0.000 0.685 44 A CB 1.030 20.037 19.000 0.011 0.000 1.284 44 A HN 0.838 nan 8.150 nan 0.000 0.408 45 L N 0.952 122.191 121.223 0.028 0.000 2.418 45 L HA 0.402 4.740 4.340 -0.003 0.000 0.265 45 L C 0.038 176.960 176.870 0.086 0.000 1.143 45 L CA -0.416 54.444 54.840 0.034 0.000 0.809 45 L CB 0.576 42.678 42.059 0.071 0.000 1.124 45 L HN 0.750 nan 8.230 nan 0.000 0.456 46 F N 2.406 122.315 119.950 -0.068 0.000 2.471 46 F HA 0.152 4.678 4.527 -0.003 0.000 0.353 46 F C -0.005 175.800 175.800 0.008 0.000 1.113 46 F CA -0.279 57.699 58.000 -0.037 0.000 1.262 46 F CB 0.488 39.464 39.000 -0.039 0.000 1.146 46 F HN 0.363 nan 8.300 nan 0.000 0.578 47 Q N 4.931 124.349 119.800 -0.636 0.000 2.363 47 Q HA 0.138 4.476 4.340 -0.003 0.000 0.265 47 Q C -1.261 174.175 176.000 -0.939 0.000 1.032 47 Q CA -0.828 54.623 55.803 -0.587 0.000 0.746 47 Q CB 1.534 30.097 28.738 -0.292 0.000 1.237 47 Q HN 0.590 nan 8.270 nan 0.000 0.475 48 D N 4.602 124.533 120.400 -0.781 0.000 2.412 48 D HA 0.028 4.667 4.640 -0.003 0.000 0.257 48 D C -1.429 174.745 176.300 -0.211 0.000 1.217 48 D CA -1.213 52.488 54.000 -0.498 0.000 0.897 48 D CB 1.063 41.827 40.800 -0.059 0.000 1.132 48 D HN 0.241 nan 8.370 nan 0.000 0.493 49 P HA 0.175 nan 4.420 nan 0.000 0.272 49 P C 0.305 177.630 177.300 0.043 0.000 1.276 49 P CA 0.028 63.102 63.100 -0.043 0.000 0.871 49 P CB 0.749 32.433 31.700 -0.027 0.000 1.313 50 A N -1.052 121.844 122.820 0.126 0.000 2.140 50 A HA 0.293 4.612 4.320 -0.003 0.000 0.209 50 A C 0.385 178.156 177.584 0.311 0.000 1.181 50 A CA 0.208 52.355 52.037 0.183 0.000 0.824 50 A CB -0.190 18.936 19.000 0.210 0.000 0.879 50 A HN 0.149 nan 8.150 nan 0.000 0.480 51 F N 0.810 120.800 119.950 0.066 0.000 2.872 51 F HA 0.466 4.991 4.527 -0.003 0.000 0.365 51 F C -3.179 172.606 175.800 -0.026 0.000 1.296 51 F CA -3.068 54.977 58.000 0.075 0.000 1.199 51 F CB 1.371 40.451 39.000 0.133 0.000 1.687 51 F HN -0.092 nan 8.300 nan 0.000 0.604 52 P HA 0.284 nan 4.420 nan 0.000 0.276 52 P C -2.462 174.516 177.300 -0.537 0.000 1.252 52 P CA -1.482 61.439 63.100 -0.299 0.000 0.802 52 P CB 0.441 32.019 31.700 -0.203 0.000 1.035 53 P HA 0.006 nan 4.420 nan 0.000 0.237 53 P C -0.123 176.463 177.300 -1.190 0.000 1.723 53 P CA 0.262 62.449 63.100 -1.523 0.000 0.882 53 P CB -0.331 30.662 31.700 -1.179 0.000 1.810 54 V N -2.949 116.642 119.914 -0.538 0.000 4.781 54 V HA 0.585 4.703 4.120 -0.003 0.000 0.288 54 V C 1.494 177.642 176.094 0.090 0.000 1.442 54 V CA -0.063 62.144 62.300 -0.155 0.000 0.846 54 V CB 0.542 32.287 31.823 -0.129 0.000 1.330 54 V HN -0.009 nan 8.190 nan 0.000 0.450 55 S N -1.410 114.344 115.700 0.089 0.000 2.613 55 S HA 0.111 4.580 4.470 -0.003 0.000 0.235 55 S C 1.906 176.567 174.600 0.102 0.000 1.073 55 S CA 1.192 59.474 58.200 0.137 0.000 0.899 55 S CB -0.789 62.471 63.200 0.101 0.000 0.818 55 S HN 1.386 nan 8.310 nan 0.000 0.484 56 H N 0.252 119.363 119.070 0.068 0.000 2.520 56 H HA 0.020 4.574 4.556 -0.003 0.000 0.295 56 H C 2.182 177.548 175.328 0.062 0.000 1.096 56 H CA 2.006 58.101 56.048 0.078 0.000 1.249 56 H CB -0.799 28.996 29.762 0.054 0.000 1.365 56 H HN 0.532 nan 8.280 nan 0.000 0.556 57 S N -1.171 114.525 115.700 -0.007 0.000 2.503 57 S HA 0.244 4.713 4.470 -0.003 0.000 0.215 57 S C 1.964 176.626 174.600 0.102 0.000 1.003 57 S CA 0.394 58.505 58.200 -0.149 0.000 0.910 57 S CB 0.268 63.155 63.200 -0.523 0.000 0.790 57 S HN 0.619 nan 8.310 nan 0.000 0.514 58 L N 0.272 121.598 121.223 0.171 0.000 2.408 58 L HA 0.360 4.699 4.340 -0.003 0.000 0.215 58 L C 1.138 178.107 176.870 0.164 0.000 1.081 58 L CA 0.271 55.223 54.840 0.187 0.000 0.840 58 L CB 0.325 42.443 42.059 0.098 0.000 1.002 58 L HN 0.377 nan 8.230 nan 0.000 0.468 59 G N -0.793 108.091 108.800 0.139 0.000 2.342 59 G HA2 0.318 4.276 3.960 -0.003 0.000 0.297 59 G HA3 0.318 4.276 3.960 -0.003 0.000 0.297 59 G C -1.572 173.397 174.900 0.116 0.000 1.313 59 G CA -0.563 44.549 45.100 0.019 0.000 0.830 59 G HN -0.026 nan 8.290 nan 0.000 0.506 60 F N -0.353 119.638 119.950 0.069 0.000 2.577 60 F HA 0.722 5.247 4.527 -0.003 0.000 0.342 60 F C 0.229 176.046 175.800 0.028 0.000 1.479 60 F CA -1.211 56.817 58.000 0.046 0.000 1.110 60 F CB 0.794 39.819 39.000 0.042 0.000 1.306 60 F HN 0.574 nan 8.300 nan 0.000 0.554 61 K N 1.660 122.056 120.400 -0.008 0.000 6.478 61 K HA -0.238 4.080 4.320 -0.003 0.000 0.706 61 K C 0.194 176.657 176.600 -0.227 0.000 2.136 61 K CA 1.066 57.307 56.287 -0.077 0.000 1.616 61 K CB -0.027 32.480 32.500 0.012 0.000 1.834 61 K HN 0.795 nan 8.250 nan 0.000 0.304 62 E N 2.099 122.163 120.200 -0.227 0.000 1.304 62 E HA 0.006 4.354 4.350 -0.003 0.000 0.219 62 E C -0.165 176.342 176.600 -0.155 0.000 1.059 62 E CA 1.022 57.278 56.400 -0.239 0.000 1.157 62 E CB -0.588 28.823 29.700 -0.482 0.000 4.652 62 E HN 0.382 nan 8.360 nan 0.000 0.696 63 L N -0.551 120.570 121.223 -0.170 0.000 4.462 63 L HA 0.537 4.875 4.340 -0.003 0.000 0.441 63 L C 0.779 177.617 176.870 -0.053 0.000 1.051 63 L CA 0.977 55.770 54.840 -0.080 0.000 1.640 63 L CB 0.771 42.820 42.059 -0.016 0.000 1.727 63 L HN 0.213 nan 8.230 nan 0.000 0.627 64 G N 0.074 108.826 108.800 -0.081 0.000 3.441 64 G HA2 0.409 4.368 3.960 -0.003 0.000 0.195 64 G HA3 0.409 4.368 3.960 -0.003 0.000 0.195 64 G C -2.617 172.288 174.900 0.008 0.000 1.633 64 G CA -0.282 44.814 45.100 -0.006 0.000 0.895 64 G HN 0.052 nan 8.290 nan 0.000 0.654 65 P HA 0.120 nan 4.420 nan 0.000 0.274 65 P C 0.054 177.370 177.300 0.028 0.000 1.237 65 P CA 0.247 63.374 63.100 0.044 0.000 0.793 65 P CB 1.472 33.205 31.700 0.055 0.000 0.977 66 N N -0.738 117.981 118.700 0.031 0.000 3.773 66 N HA -0.298 4.440 4.740 -0.003 0.000 0.227 66 N C 0.654 176.170 175.510 0.009 0.000 0.182 66 N CA 1.434 54.492 53.050 0.014 0.000 3.385 66 N CB -2.141 36.347 38.487 0.002 0.000 1.230 66 N HN 0.782 nan 8.380 nan 0.000 0.280 67 S N 0.455 116.152 115.700 -0.005 0.000 4.609 67 S HA -0.073 4.396 4.470 -0.003 0.000 0.546 67 S C 1.100 175.702 174.600 0.004 0.000 1.001 67 S CA 1.187 59.378 58.200 -0.015 0.000 1.031 67 S CB -0.341 62.833 63.200 -0.043 0.000 1.782 67 S HN 0.636 nan 8.310 nan 0.000 0.374 68 S N 3.198 118.888 115.700 -0.017 0.000 2.404 68 S HA -0.016 4.453 4.470 -0.003 0.000 0.223 68 S C 1.683 176.296 174.600 0.021 0.000 1.040 68 S CA 0.870 59.066 58.200 -0.006 0.000 0.957 68 S CB -0.231 62.939 63.200 -0.050 0.000 0.826 68 S HN 0.800 nan 8.310 nan 0.000 0.491 69 K N 0.866 121.254 120.400 -0.020 0.000 2.169 69 K HA -0.259 4.059 4.320 -0.003 0.000 0.213 69 K C 2.395 178.962 176.600 -0.056 0.000 1.050 69 K CA 2.169 58.429 56.287 -0.046 0.000 0.935 69 K CB -0.585 31.877 32.500 -0.063 0.000 0.722 69 K HN 0.647 nan 8.250 nan 0.000 0.468 70 T N -2.004 112.536 114.554 -0.024 0.000 3.054 70 T HA -0.117 4.231 4.350 -0.003 0.000 0.259 70 T C 0.568 175.258 174.700 -0.017 0.000 1.092 70 T CA -0.252 61.821 62.100 -0.045 0.000 1.121 70 T CB -0.262 68.591 68.868 -0.027 0.000 0.912 70 T HN 0.243 nan 8.240 nan 0.000 0.489 71 Y N 2.520 122.772 120.300 -0.080 0.000 3.032 71 Y HA 0.225 4.774 4.550 -0.002 0.000 0.344 71 Y C 1.445 177.300 175.900 -0.076 0.000 1.273 71 Y CA 0.970 59.031 58.100 -0.065 0.000 1.588 71 Y CB -0.375 38.054 38.460 -0.053 0.000 1.209 71 Y HN 0.494 nan 8.280 nan 0.000 0.597 72 G N 3.294 111.614 108.800 -0.801 0.000 2.233 72 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.270 72 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.270 72 G C 0.280 174.998 174.900 -0.304 0.000 1.011 72 G CA 0.099 44.842 45.100 -0.596 0.000 0.762 72 G HN 1.461 nan 8.290 nan 0.000 0.511 73 I N -1.660 118.766 120.570 -0.240 0.000 2.948 73 I HA 0.741 4.909 4.170 -0.003 0.000 0.290 73 I C 0.715 176.724 176.117 -0.180 0.000 1.226 73 I CA 1.077 62.228 61.300 -0.248 0.000 1.413 73 I CB -0.019 37.792 38.000 -0.316 0.000 1.352 73 I HN 1.646 nan 8.210 nan 0.000 0.597 74 K N 4.714 125.011 120.400 -0.172 0.000 2.550 74 K HA 0.609 4.927 4.320 -0.003 0.000 0.252 74 K C -1.377 175.220 176.600 -0.004 0.000 0.943 74 K CA -0.540 55.735 56.287 -0.020 0.000 0.806 74 K CB 0.864 33.340 32.500 -0.040 0.000 1.289 74 K HN 1.072 nan 8.250 nan 0.000 0.435 75 W N 3.026 124.317 121.300 -0.015 0.000 2.361 75 W HA 0.565 5.224 4.660 -0.003 0.000 0.309 75 W C 0.485 177.016 176.519 0.019 0.000 1.122 75 W CA -0.404 56.947 57.345 0.010 0.000 1.208 75 W CB 1.517 30.989 29.460 0.019 0.000 1.246 75 W HN 0.475 nan 8.180 nan 0.000 0.490 76 K N 3.216 123.755 120.400 0.232 0.000 2.328 76 K HA 0.578 4.896 4.320 -0.003 0.000 0.246 76 K C -0.200 176.497 176.600 0.162 0.000 0.955 76 K CA -1.300 55.081 56.287 0.156 0.000 0.817 76 K CB 2.462 35.001 32.500 0.065 0.000 1.208 76 K HN 0.420 nan 8.250 nan 0.000 0.432 77 R N 1.149 121.727 120.500 0.131 0.000 2.428 77 R HA 0.207 4.545 4.340 -0.003 0.000 0.294 77 R C -1.942 174.331 176.300 -0.046 0.000 1.000 77 R CA -1.832 54.343 56.100 0.126 0.000 0.960 77 R CB 0.615 31.051 30.300 0.228 0.000 1.076 77 R HN 0.216 nan 8.270 nan 0.000 0.475 78 P HA -0.187 nan 4.420 nan 0.000 0.219 78 P C 0.956 177.964 177.300 -0.488 0.000 1.146 78 P CA 1.498 64.211 63.100 -0.645 0.000 0.808 78 P CB 0.241 31.266 31.700 -1.125 0.000 0.779 79 T N -1.228 113.139 114.554 -0.312 0.000 2.720 79 T HA -0.221 4.127 4.350 -0.003 0.000 0.268 79 T C 1.144 175.777 174.700 -0.112 0.000 1.037 79 T CA 1.147 63.127 62.100 -0.202 0.000 1.144 79 T CB -1.074 67.748 68.868 -0.075 0.000 0.864 79 T HN 0.389 nan 8.240 nan 0.000 0.444 80 E N 2.016 122.178 120.200 -0.064 0.000 2.452 80 E HA 0.385 4.733 4.350 -0.003 0.000 0.293 80 E C 0.438 177.013 176.600 -0.042 0.000 1.535 80 E CA -0.118 56.262 56.400 -0.032 0.000 1.816 80 E CB -0.393 29.311 29.700 0.006 0.000 1.494 80 E HN 0.585 nan 8.360 nan 0.000 0.464 81 L N -0.260 120.928 121.223 -0.058 0.000 3.760 81 L HA 0.221 4.560 4.340 -0.003 0.000 0.405 81 L C -0.242 176.618 176.870 -0.017 0.000 0.943 81 L CA -0.100 54.719 54.840 -0.035 0.000 1.739 81 L CB 0.396 42.433 42.059 -0.036 0.000 2.459 81 L HN 0.188 nan 8.230 nan 0.000 0.586 82 L N -0.611 120.590 121.223 -0.037 0.000 2.445 82 L HA 0.668 5.006 4.340 -0.003 0.000 0.262 82 L C 1.189 178.048 176.870 -0.019 0.000 0.974 82 L CA 0.413 55.254 54.840 0.001 0.000 0.822 82 L CB 2.081 44.185 42.059 0.075 0.000 1.339 82 L HN 0.108 nan 8.230 nan 0.000 0.409 83 S N 2.145 117.844 115.700 -0.001 0.000 2.378 83 S HA -0.227 4.241 4.470 -0.003 0.000 0.221 83 S C 0.935 175.528 174.600 -0.011 0.000 1.037 83 S CA 2.257 60.455 58.200 -0.004 0.000 1.069 83 S CB -0.323 62.883 63.200 0.010 0.000 1.006 83 S HN 0.735 nan 8.310 nan 0.000 0.423 84 N N 1.469 120.178 118.700 0.014 0.000 2.844 84 N HA 0.380 5.118 4.740 -0.003 0.000 0.268 84 N C -3.103 172.432 175.510 0.041 0.000 1.574 84 N CA -1.770 51.292 53.050 0.021 0.000 0.838 84 N CB 1.315 39.826 38.487 0.039 0.000 1.177 84 N HN 0.110 nan 8.380 nan 0.000 0.495 85 P HA 0.012 nan 4.420 nan 0.000 0.269 85 P C -0.940 176.472 177.300 0.187 0.000 1.211 85 P CA 0.191 63.302 63.100 0.018 0.000 0.781 85 P CB 0.695 32.033 31.700 -0.603 0.000 0.877 86 Q N 0.562 120.611 119.800 0.415 0.000 2.269 86 Q HA 0.313 4.651 4.340 -0.003 0.000 0.263 86 Q C 0.018 176.425 176.000 0.677 0.000 0.983 86 Q CA -0.558 55.528 55.803 0.472 0.000 0.777 86 Q CB 0.893 29.799 28.738 0.280 0.000 1.273 86 Q HN 0.268 nan 8.270 nan 0.000 0.440 87 F N 3.154 123.478 119.950 0.623 0.000 2.025 87 F HA 0.048 4.574 4.527 -0.003 0.000 0.297 87 F C 0.578 176.623 175.800 0.408 0.000 1.132 87 F CA 1.601 59.869 58.000 0.446 0.000 1.191 87 F CB 0.399 39.541 39.000 0.237 0.000 0.963 87 F HN 0.575 nan 8.300 nan 0.000 0.481 88 I N 0.661 121.486 120.570 0.424 0.000 2.630 88 I HA 0.262 4.430 4.170 -0.003 0.000 0.279 88 I C -1.909 174.303 176.117 0.159 0.000 1.235 88 I CA -0.425 60.969 61.300 0.156 0.000 1.096 88 I CB 1.296 39.128 38.000 -0.280 0.000 1.318 88 I HN -0.274 nan 8.210 nan 0.000 0.457 89 V N 5.916 125.927 119.914 0.161 0.000 2.340 89 V HA 0.444 4.563 4.120 -0.003 0.000 0.277 89 V C -0.786 175.368 176.094 0.099 0.000 1.017 89 V CA -0.293 62.089 62.300 0.136 0.000 0.820 89 V CB 1.197 33.103 31.823 0.138 0.000 1.028 89 V HN 0.787 nan 8.190 nan 0.000 0.436 90 D N 2.694 123.135 120.400 0.069 0.000 2.629 90 D HA 0.620 5.258 4.640 -0.003 0.000 0.250 90 D C 0.877 177.209 176.300 0.053 0.000 1.126 90 D CA -0.127 53.904 54.000 0.050 0.000 0.852 90 D CB 2.275 43.099 40.800 0.039 0.000 1.335 90 D HN 0.347 nan 8.370 nan 0.000 0.518 91 G N 2.372 111.199 108.800 0.045 0.000 2.576 91 G HA2 0.360 4.319 3.960 -0.003 0.000 0.210 91 G HA3 0.360 4.319 3.960 -0.003 0.000 0.210 91 G C 0.851 175.765 174.900 0.023 0.000 1.143 91 G CA 0.155 45.275 45.100 0.033 0.000 0.819 91 G HN 0.957 nan 8.290 nan 0.000 0.534 92 A N -0.166 122.669 122.820 0.025 0.000 2.712 92 A HA 0.155 4.473 4.320 -0.003 0.000 0.253 92 A C 1.477 179.063 177.584 0.003 0.000 1.822 92 A CA 1.889 53.936 52.037 0.017 0.000 1.984 92 A CB -0.181 18.830 19.000 0.018 0.000 1.261 92 A HN 1.120 nan 8.150 nan 0.000 0.560 93 T N -1.802 112.750 114.554 -0.003 0.000 3.417 93 T HA 0.509 4.857 4.350 -0.003 0.000 0.279 93 T C 0.969 175.658 174.700 -0.019 0.000 0.918 93 T CA 1.075 63.172 62.100 -0.006 0.000 1.005 93 T CB -0.303 68.572 68.868 0.012 0.000 1.212 93 T HN 1.806 nan 8.240 nan 0.000 0.510 94 R N 1.030 121.522 120.500 -0.012 0.000 2.541 94 R HA 0.853 5.191 4.340 -0.003 0.000 0.263 94 R C -0.040 176.213 176.300 -0.078 0.000 1.112 94 R CA 0.025 56.105 56.100 -0.034 0.000 1.170 94 R CB -0.168 30.138 30.300 0.011 0.000 1.167 94 R HN 0.361 nan 8.270 nan 0.000 0.582 95 T N -1.010 113.453 114.554 -0.153 0.000 2.912 95 T HA 0.425 4.773 4.350 -0.003 0.000 0.299 95 T C -0.843 173.765 174.700 -0.154 0.000 1.052 95 T CA 0.129 62.079 62.100 -0.250 0.000 0.996 95 T CB 1.398 69.946 68.868 -0.534 0.000 1.070 95 T HN 0.783 nan 8.240 nan 0.000 0.465 96 D N 3.641 123.988 120.400 -0.088 0.000 2.520 96 D HA 0.109 4.747 4.640 -0.003 0.000 0.223 96 D C 0.979 177.292 176.300 0.021 0.000 1.186 96 D CA -0.404 53.627 54.000 0.052 0.000 0.821 96 D CB -0.337 40.477 40.800 0.022 0.000 1.072 96 D HN 0.617 nan 8.370 nan 0.000 0.518 97 I N 2.127 122.638 120.570 -0.098 0.000 3.275 97 I HA -0.186 3.983 4.170 -0.003 0.000 0.345 97 I C -0.313 175.871 176.117 0.111 0.000 1.202 97 I CA 0.760 61.996 61.300 -0.107 0.000 1.483 97 I CB -0.182 37.693 38.000 -0.207 0.000 1.293 97 I HN 0.446 nan 8.210 nan 0.000 0.508 98 C N 5.962 125.177 119.300 -0.142 0.000 2.712 98 C HA 0.586 5.045 4.460 -0.003 0.000 0.308 98 C C 0.035 174.898 174.990 -0.211 0.000 1.201 98 C CA -1.014 57.918 59.018 -0.144 0.000 1.554 98 C CB 1.142 28.727 27.740 -0.259 0.000 2.117 98 C HN 0.886 nan 8.230 nan 0.000 0.480 99 Q N 2.302 122.050 119.800 -0.087 0.000 2.474 99 Q HA 0.470 4.808 4.340 -0.003 0.000 0.256 99 Q C 0.514 176.521 176.000 0.012 0.000 1.048 99 Q CA 0.386 56.154 55.803 -0.059 0.000 0.922 99 Q CB 0.363 29.071 28.738 -0.049 0.000 1.288 99 Q HN 1.107 nan 8.270 nan 0.000 0.484 100 G N -0.096 108.756 108.800 0.086 0.000 2.664 100 G HA2 0.303 4.261 3.960 -0.003 0.000 0.242 100 G HA3 0.303 4.261 3.960 -0.003 0.000 0.242 100 G C 0.140 175.005 174.900 -0.059 0.000 1.225 100 G CA -0.213 44.921 45.100 0.056 0.000 0.849 100 G HN 0.847 nan 8.290 nan 0.000 0.581 101 A N 0.357 123.105 122.820 -0.121 0.000 2.415 101 A HA 0.398 4.716 4.320 -0.003 0.000 0.248 101 A C 1.019 178.488 177.584 -0.191 0.000 1.299 101 A CA 0.003 51.964 52.037 -0.127 0.000 0.899 101 A CB -0.040 18.903 19.000 -0.096 0.000 0.997 101 A HN 0.672 nan 8.150 nan 0.000 0.506 102 L N -1.856 119.193 121.223 -0.290 0.000 3.298 102 L HA 0.488 4.827 4.340 -0.003 0.000 0.296 102 L C 0.611 177.312 176.870 -0.281 0.000 1.237 102 L CA 0.573 55.194 54.840 -0.364 0.000 1.038 102 L CB 0.218 41.881 42.059 -0.661 0.000 1.423 102 L HN 0.212 nan 8.230 nan 0.000 0.605 103 G N -1.524 107.192 108.800 -0.140 0.000 3.209 103 G HA2 0.507 4.465 3.960 -0.003 0.000 0.236 103 G HA3 0.507 4.465 3.960 -0.003 0.000 0.236 103 G C -1.477 173.406 174.900 -0.029 0.000 1.329 103 G CA -0.169 44.943 45.100 0.020 0.000 1.015 103 G HN 0.065 nan 8.290 nan 0.000 0.571 104 D N -2.878 117.466 120.400 -0.093 0.000 2.961 104 D HA 0.544 5.182 4.640 -0.003 0.000 0.257 104 D C 1.128 177.323 176.300 -0.175 0.000 1.211 104 D CA 0.473 54.406 54.000 -0.113 0.000 1.066 104 D CB 1.430 42.210 40.800 -0.032 0.000 1.291 104 D HN 0.412 nan 8.370 nan 0.000 0.629 105 S N -1.513 114.103 115.700 -0.139 0.000 2.733 105 S HA 0.031 4.499 4.470 -0.003 0.000 0.270 105 S C 1.802 176.413 174.600 0.019 0.000 1.062 105 S CA -0.379 57.775 58.200 -0.077 0.000 1.256 105 S CB -0.582 62.608 63.200 -0.016 0.000 1.187 105 S HN 0.721 nan 8.310 nan 0.000 0.666 106 W N 1.480 122.778 121.300 -0.003 0.000 2.321 106 W HA -0.068 4.590 4.660 -0.003 0.000 0.285 106 W C 1.199 177.684 176.519 -0.056 0.000 1.213 106 W CA 0.558 57.883 57.345 -0.032 0.000 1.205 106 W CB -0.679 28.752 29.460 -0.048 0.000 1.134 106 W HN 0.411 nan 8.180 nan 0.000 0.549 107 L N 0.677 121.809 121.223 -0.151 0.000 2.341 107 L HA 0.017 4.356 4.340 -0.003 0.000 0.214 107 L C 2.495 179.347 176.870 -0.030 0.000 1.115 107 L CA 0.805 55.574 54.840 -0.118 0.000 0.820 107 L CB -0.712 40.957 42.059 -0.651 0.000 0.944 107 L HN -0.109 nan 8.230 nan 0.000 0.452 108 L N -0.131 121.071 121.223 -0.035 0.000 2.127 108 L HA -0.151 4.188 4.340 -0.003 0.000 0.211 108 L C 2.563 179.505 176.870 0.120 0.000 1.089 108 L CA 1.918 56.790 54.840 0.053 0.000 0.757 108 L CB -0.912 41.208 42.059 0.102 0.000 0.899 108 L HN 0.324 nan 8.230 nan 0.000 0.434 109 A N -0.980 121.906 122.820 0.110 0.000 1.940 109 A HA -0.165 4.154 4.320 -0.003 0.000 0.219 109 A C 2.447 180.074 177.584 0.072 0.000 1.176 109 A CA 1.819 53.932 52.037 0.127 0.000 0.631 109 A CB -0.941 18.138 19.000 0.133 0.000 0.814 109 A HN 0.493 nan 8.150 nan 0.000 0.446 110 A N 0.131 122.856 122.820 -0.158 0.000 1.841 110 A HA -0.048 4.270 4.320 -0.003 0.000 0.214 110 A C 2.131 179.841 177.584 0.210 0.000 1.195 110 A CA 1.485 53.379 52.037 -0.239 0.000 0.611 110 A CB -0.590 18.273 19.000 -0.229 0.000 0.835 110 A HN 0.455 nan 8.150 nan 0.000 0.443 111 I N -0.203 120.463 120.570 0.159 0.000 2.179 111 I HA -0.286 3.882 4.170 -0.003 0.000 0.242 111 I C 2.994 179.162 176.117 0.085 0.000 1.088 111 I CA 1.410 62.777 61.300 0.112 0.000 1.357 111 I CB -0.801 37.177 38.000 -0.036 0.000 1.051 111 I HN 0.389 nan 8.210 nan 0.000 0.409 112 A N 0.664 123.467 122.820 -0.028 0.000 1.933 112 A HA -0.231 4.087 4.320 -0.003 0.000 0.218 112 A C 2.543 180.066 177.584 -0.101 0.000 1.175 112 A CA 2.125 54.024 52.037 -0.229 0.000 0.628 112 A CB -0.760 17.888 19.000 -0.588 0.000 0.814 112 A HN 0.513 nan 8.150 nan 0.000 0.444 113 S N 0.177 115.930 115.700 0.089 0.000 2.383 113 S HA -0.107 4.362 4.470 -0.003 0.000 0.229 113 S C 1.654 176.322 174.600 0.112 0.000 1.030 113 S CA 1.366 59.658 58.200 0.153 0.000 1.002 113 S CB -0.686 62.791 63.200 0.462 0.000 0.829 113 S HN 0.479 nan 8.310 nan 0.000 0.467 114 L N 1.244 122.575 121.223 0.181 0.000 2.721 114 L HA 0.007 4.345 4.340 -0.003 0.000 0.241 114 L C 1.889 178.754 176.870 -0.008 0.000 1.168 114 L CA 0.758 55.651 54.840 0.090 0.000 0.866 114 L CB -0.824 41.280 42.059 0.075 0.000 0.996 114 L HN 0.428 nan 8.230 nan 0.000 0.451 115 T N -0.972 113.573 114.554 -0.016 0.000 3.023 115 T HA 0.082 4.431 4.350 -0.003 0.000 0.249 115 T C 1.809 176.470 174.700 -0.067 0.000 1.050 115 T CA 0.111 62.177 62.100 -0.056 0.000 1.088 115 T CB 0.221 69.049 68.868 -0.066 0.000 0.946 115 T HN 0.092 nan 8.240 nan 0.000 0.480 116 L N 1.541 122.726 121.223 -0.062 0.000 2.083 116 L HA 0.072 4.411 4.340 -0.003 0.000 0.209 116 L C 1.220 178.062 176.870 -0.047 0.000 1.083 116 L CA 1.059 55.863 54.840 -0.059 0.000 0.752 116 L CB -0.225 41.798 42.059 -0.060 0.000 0.899 116 L HN 0.185 nan 8.230 nan 0.000 0.433 117 N N -0.340 118.334 118.700 -0.044 0.000 2.476 117 N HA 0.050 4.789 4.740 -0.003 0.000 0.257 117 N C 0.561 176.053 175.510 -0.030 0.000 0.970 117 N CA -0.020 53.010 53.050 -0.034 0.000 0.938 117 N CB 1.625 40.092 38.487 -0.033 0.000 1.144 117 N HN 0.072 nan 8.380 nan 0.000 0.500 118 E N 1.516 121.709 120.200 -0.011 0.000 2.023 118 E HA -0.125 4.224 4.350 -0.003 0.000 0.196 118 E C 1.039 177.681 176.600 0.070 0.000 1.003 118 E CA 1.967 58.386 56.400 0.031 0.000 0.809 118 E CB 0.191 29.923 29.700 0.053 0.000 0.755 118 E HN 0.583 nan 8.360 nan 0.000 0.449 119 T N 0.455 115.037 114.554 0.047 0.000 2.915 119 T HA -0.061 4.287 4.350 -0.003 0.000 0.269 119 T C 1.749 176.475 174.700 0.043 0.000 1.071 119 T CA 0.588 62.726 62.100 0.063 0.000 1.132 119 T CB -0.126 68.761 68.868 0.032 0.000 0.878 119 T HN 0.116 nan 8.240 nan 0.000 0.479 120 I N 0.522 121.100 120.570 0.012 0.000 2.493 120 I HA -0.095 4.073 4.170 -0.003 0.000 0.254 120 I C 2.127 178.230 176.117 -0.024 0.000 1.160 120 I CA 0.769 62.070 61.300 0.002 0.000 1.445 120 I CB -0.123 37.876 38.000 -0.002 0.000 1.086 120 I HN 0.238 nan 8.210 nan 0.000 0.433 121 L N 0.040 121.214 121.223 -0.082 0.000 2.005 121 L HA -0.249 4.089 4.340 -0.003 0.000 0.207 121 L C 2.234 178.914 176.870 -0.316 0.000 1.072 121 L CA 1.761 56.457 54.840 -0.240 0.000 0.744 121 L CB -0.402 41.401 42.059 -0.427 0.000 0.895 121 L HN 0.238 nan 8.230 nan 0.000 0.433 122 H N -0.807 118.110 119.070 -0.255 0.000 2.563 122 H HA 0.008 4.562 4.556 -0.003 0.000 0.272 122 H C 2.006 177.243 175.328 -0.152 0.000 1.005 122 H CA 0.500 56.355 56.048 -0.321 0.000 1.171 122 H CB 0.009 29.515 29.762 -0.427 0.000 1.351 122 H HN 0.246 nan 8.280 nan 0.000 0.602 123 R N -0.395 120.105 120.500 0.000 0.000 2.189 123 R HA -0.037 4.301 4.340 -0.003 0.000 0.218 123 R C 1.163 177.440 176.300 -0.040 0.000 1.074 123 R CA 0.882 56.982 56.100 0.001 0.000 0.991 123 R CB 0.376 30.611 30.300 -0.108 0.000 0.883 123 R HN 0.215 nan 8.270 nan 0.000 0.457 124 V N -0.812 119.072 119.914 -0.051 0.000 2.922 124 V HA 0.066 4.185 4.120 -0.003 0.000 0.242 124 V C 0.572 176.638 176.094 -0.047 0.000 1.094 124 V CA 0.523 62.836 62.300 0.021 0.000 1.106 124 V CB 1.076 32.888 31.823 -0.017 0.000 0.799 124 V HN -0.140 nan 8.190 nan 0.000 0.474 125 V N 2.982 122.774 119.914 -0.203 0.000 2.266 125 V HA 0.384 4.503 4.120 -0.003 0.000 0.271 125 V C -2.534 173.331 176.094 -0.382 0.000 1.032 125 V CA -1.914 60.198 62.300 -0.313 0.000 0.806 125 V CB 0.966 32.562 31.823 -0.377 0.000 1.052 125 V HN 0.287 nan 8.190 nan 0.000 0.449 126 P HA -0.034 nan 4.420 nan 0.000 0.266 126 P C -0.409 176.745 177.300 -0.243 0.000 1.180 126 P CA 0.481 63.376 63.100 -0.343 0.000 0.765 126 P CB 0.365 31.693 31.700 -0.620 0.000 0.806 127 Y N 0.715 121.006 120.300 -0.013 0.000 2.240 127 Y HA 0.342 4.890 4.550 -0.003 0.000 0.341 127 Y C 2.232 178.126 175.900 -0.010 0.000 1.326 127 Y CA 1.537 59.655 58.100 0.030 0.000 1.569 127 Y CB -0.122 38.325 38.460 -0.022 0.000 1.426 127 Y HN 0.718 nan 8.280 nan 0.000 0.587 128 G N -1.031 107.884 108.800 0.191 0.000 2.320 128 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.242 128 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.242 128 G C -0.069 174.857 174.900 0.043 0.000 1.033 128 G CA -0.064 45.098 45.100 0.103 0.000 0.620 128 G HN 0.518 nan 8.290 nan 0.000 0.517 129 Q N 1.115 120.893 119.800 -0.036 0.000 2.244 129 Q HA 0.480 4.819 4.340 -0.003 0.000 0.278 129 Q C -0.140 175.850 176.000 -0.018 0.000 1.093 129 Q CA 0.996 56.691 55.803 -0.179 0.000 0.916 129 Q CB 1.172 29.589 28.738 -0.535 0.000 1.159 129 Q HN 0.319 nan 8.270 nan 0.000 0.384 130 S N 1.366 117.064 115.700 -0.003 0.000 2.570 130 S HA 0.508 4.976 4.470 -0.003 0.000 0.270 130 S C -0.598 174.099 174.600 0.163 0.000 1.149 130 S CA -0.647 57.638 58.200 0.140 0.000 0.837 130 S CB 0.784 64.077 63.200 0.154 0.000 1.124 130 S HN 0.568 nan 8.310 nan 0.000 0.465 131 F N 1.298 121.421 119.950 0.288 0.000 2.746 131 F HA 0.191 4.717 4.527 -0.003 0.000 0.297 131 F C 2.014 177.814 175.800 -0.001 0.000 1.113 131 F CA -0.135 57.890 58.000 0.042 0.000 1.367 131 F CB 0.450 39.446 39.000 -0.006 0.000 1.111 131 F HN 0.448 nan 8.300 nan 0.000 0.590 132 Q N 0.228 120.178 119.800 0.249 0.000 2.063 132 Q HA 0.041 4.379 4.340 -0.003 0.000 0.194 132 Q C 0.298 176.386 176.000 0.147 0.000 0.974 132 Q CA 0.909 56.812 55.803 0.166 0.000 0.827 132 Q CB 0.064 28.890 28.738 0.146 0.000 0.902 132 Q HN 0.171 nan 8.270 nan 0.000 0.462 133 E N -0.081 120.199 120.200 0.133 0.000 2.109 133 E HA 0.390 4.738 4.350 -0.003 0.000 0.278 133 E C -0.560 176.085 176.600 0.075 0.000 0.954 133 E CA -0.042 56.414 56.400 0.094 0.000 0.779 133 E CB 0.948 30.693 29.700 0.075 0.000 1.093 133 E HN 0.518 nan 8.360 nan 0.000 0.401 134 G N 3.522 112.355 108.800 0.055 0.000 2.256 134 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.272 134 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.272 134 G C 0.089 174.969 174.900 -0.034 0.000 1.076 134 G CA 0.678 45.771 45.100 -0.011 0.000 0.882 134 G HN 0.648 nan 8.290 nan 0.000 0.497 135 Y N 0.077 120.340 120.300 -0.062 0.000 2.633 135 Y HA 0.272 4.820 4.550 -0.003 0.000 0.227 135 Y C 2.287 178.108 175.900 -0.131 0.000 0.970 135 Y CA 3.158 61.208 58.100 -0.083 0.000 0.984 135 Y CB -0.643 37.849 38.460 0.054 0.000 1.046 135 Y HN 1.845 nan 8.280 nan 0.000 0.484 136 A N -0.962 121.502 122.820 -0.593 0.000 3.383 136 A HA -0.090 4.229 4.320 -0.003 0.000 0.264 136 A C 1.755 178.877 177.584 -0.770 0.000 1.154 136 A CA 1.358 53.002 52.037 -0.654 0.000 1.179 136 A CB -2.705 16.064 19.000 -0.384 0.000 1.133 136 A HN 2.270 nan 8.150 nan 0.000 0.933 137 G N -1.654 106.282 108.800 -1.439 0.000 2.273 137 G HA2 0.010 3.968 3.960 -0.003 0.000 0.280 137 G HA3 0.010 3.968 3.960 -0.003 0.000 0.280 137 G C 0.043 174.917 174.900 -0.044 0.000 1.047 137 G CA 1.057 45.902 45.100 -0.425 0.000 0.869 137 G HN 2.377 nan 8.290 nan 0.000 0.502 138 I N -1.488 118.853 120.570 -0.381 0.000 2.743 138 I HA 0.786 4.954 4.170 -0.003 0.000 0.292 138 I C -1.275 174.594 176.117 -0.415 0.000 1.343 138 I CA -1.334 59.864 61.300 -0.170 0.000 1.038 138 I CB 1.276 39.017 38.000 -0.432 0.000 1.311 138 I HN -0.016 nan 8.210 nan 0.000 0.426 139 F N 5.458 125.487 119.950 0.131 0.000 2.668 139 F HA 0.614 5.140 4.527 -0.003 0.000 0.309 139 F C -0.731 175.125 175.800 0.094 0.000 1.117 139 F CA -0.540 57.459 58.000 -0.002 0.000 0.951 139 F CB 1.830 40.749 39.000 -0.135 0.000 1.323 139 F HN 0.490 nan 8.300 nan 0.000 0.451 140 H N -0.226 118.674 119.070 -0.284 0.000 2.930 140 H HA 0.647 5.201 4.556 -0.003 0.000 0.371 140 H C -2.265 172.793 175.328 -0.449 0.000 1.169 140 H CA -1.324 54.590 56.048 -0.224 0.000 1.157 140 H CB 1.682 31.290 29.762 -0.256 0.000 1.789 140 H HN 0.418 nan 8.280 nan 0.000 0.547 141 F N 0.433 120.438 119.950 0.092 0.000 2.563 141 F HA 0.368 4.894 4.527 -0.003 0.000 0.316 141 F C 0.106 175.939 175.800 0.054 0.000 1.076 141 F CA -0.804 57.190 58.000 -0.009 0.000 0.921 141 F CB 2.327 41.339 39.000 0.020 0.000 1.209 141 F HN 0.424 nan 8.300 nan 0.000 0.462 142 Q N 3.312 123.233 119.800 0.201 0.000 2.303 142 Q HA 0.622 4.960 4.340 -0.003 0.000 0.257 142 Q C -1.155 175.063 176.000 0.364 0.000 0.941 142 Q CA -0.430 55.553 55.803 0.300 0.000 0.931 142 Q CB 1.786 30.722 28.738 0.331 0.000 1.215 142 Q HN 0.524 nan 8.270 nan 0.000 0.437 143 L N 1.564 122.954 121.223 0.278 0.000 2.331 143 L HA 0.501 4.839 4.340 -0.003 0.000 0.275 143 L C -0.821 176.004 176.870 -0.075 0.000 1.022 143 L CA -0.961 53.970 54.840 0.151 0.000 0.812 143 L CB 1.190 43.283 42.059 0.056 0.000 1.257 143 L HN 0.646 nan 8.230 nan 0.000 0.435 144 W N 3.525 124.481 121.300 -0.573 0.000 2.342 144 W HA 0.266 4.924 4.660 -0.003 0.000 0.310 144 W C -0.498 175.704 176.519 -0.528 0.000 1.128 144 W CA -0.253 56.514 57.345 -0.963 0.000 1.322 144 W CB 0.819 29.517 29.460 -1.270 0.000 1.251 144 W HN 0.363 nan 8.180 nan 0.000 0.439 145 Q N 6.724 126.146 119.800 -0.630 0.000 2.347 145 Q HA 0.170 4.508 4.340 -0.003 0.000 0.262 145 Q C -0.370 175.155 176.000 -0.793 0.000 0.980 145 Q CA -0.905 54.559 55.803 -0.565 0.000 0.867 145 Q CB 0.742 29.348 28.738 -0.220 0.000 1.242 145 Q HN 0.670 nan 8.270 nan 0.000 0.453 146 F N 1.401 120.840 119.950 -0.852 0.000 2.907 146 F HA -0.302 4.223 4.527 -0.003 0.000 0.244 146 F C 1.266 176.522 175.800 -0.907 0.000 1.007 146 F CA 0.969 58.544 58.000 -0.708 0.000 0.872 146 F CB -2.124 36.675 39.000 -0.336 0.000 0.767 146 F HN 0.914 nan 8.300 nan 0.000 0.837 147 G N -0.862 106.892 108.800 -1.744 0.000 2.176 147 G HA2 -0.257 3.702 3.960 -0.003 0.000 0.253 147 G HA3 -0.257 3.702 3.960 -0.003 0.000 0.253 147 G C 0.019 174.299 174.900 -1.035 0.000 0.979 147 G CA 0.204 44.537 45.100 -1.278 0.000 0.641 147 G HN 0.852 nan 8.290 nan 0.000 0.530 148 E N -0.847 118.767 120.200 -0.976 0.000 2.256 148 E HA 0.546 4.894 4.350 -0.003 0.000 0.267 148 E C -0.848 175.417 176.600 -0.558 0.000 0.892 148 E CA -1.638 54.453 56.400 -0.516 0.000 0.775 148 E CB 1.111 30.693 29.700 -0.197 0.000 1.207 148 E HN 0.203 nan 8.360 nan 0.000 0.420 149 W N 1.946 123.197 121.300 -0.082 0.000 2.605 149 W HA 0.277 4.935 4.660 -0.003 0.000 0.327 149 W C -0.495 176.049 176.519 0.042 0.000 1.332 149 W CA -0.276 57.085 57.345 0.026 0.000 1.403 149 W CB 0.613 30.146 29.460 0.122 0.000 1.452 149 W HN 0.204 nan 8.180 nan 0.000 0.503 150 V N 4.319 124.310 119.914 0.128 0.000 2.407 150 V HA 0.067 4.185 4.120 -0.003 0.000 0.278 150 V C -0.051 176.173 176.094 0.217 0.000 1.037 150 V CA -0.668 61.728 62.300 0.161 0.000 0.900 150 V CB 1.322 33.200 31.823 0.093 0.000 0.983 150 V HN 0.326 nan 8.190 nan 0.000 0.459 151 D N 3.772 124.315 120.400 0.237 0.000 2.264 151 D HA 0.501 5.140 4.640 -0.003 0.000 0.250 151 D C -0.845 175.601 176.300 0.244 0.000 1.113 151 D CA 0.061 54.212 54.000 0.251 0.000 0.871 151 D CB 1.455 42.402 40.800 0.245 0.000 1.167 151 D HN 0.277 nan 8.370 nan 0.000 0.447 152 V N 4.508 124.571 119.914 0.249 0.000 2.577 152 V HA 0.378 4.496 4.120 -0.003 0.000 0.303 152 V C -0.345 175.940 176.094 0.320 0.000 1.042 152 V CA -0.843 61.601 62.300 0.240 0.000 0.872 152 V CB 1.865 33.758 31.823 0.117 0.000 0.998 152 V HN 0.417 nan 8.190 nan 0.000 0.423 153 V N 5.396 125.493 119.914 0.305 0.000 2.630 153 V HA 0.811 4.929 4.120 -0.003 0.000 0.305 153 V C -0.610 175.710 176.094 0.377 0.000 1.046 153 V CA -0.203 62.279 62.300 0.303 0.000 0.934 153 V CB 2.215 34.160 31.823 0.203 0.000 1.003 153 V HN 0.640 nan 8.190 nan 0.000 0.451 154 V N 3.658 123.839 119.914 0.445 0.000 3.077 154 V HA 0.418 4.536 4.120 -0.003 0.000 0.299 154 V C -1.634 174.830 176.094 0.616 0.000 1.276 154 V CA -0.803 61.810 62.300 0.522 0.000 0.993 154 V CB 2.700 34.800 31.823 0.462 0.000 1.076 154 V HN 1.109 nan 8.190 nan 0.000 0.434 155 D N 1.662 122.420 120.400 0.596 0.000 2.294 155 D HA 0.342 4.981 4.640 -0.003 0.000 0.250 155 D C 0.009 176.628 176.300 0.531 0.000 1.058 155 D CA -0.463 53.882 54.000 0.574 0.000 0.950 155 D CB 1.114 42.153 40.800 0.399 0.000 1.158 155 D HN 0.552 nan 8.370 nan 0.000 0.453 156 D N 1.241 121.986 120.400 0.575 0.000 2.841 156 D HA 0.040 4.678 4.640 -0.003 0.000 0.244 156 D C -0.211 176.335 176.300 0.410 0.000 1.228 156 D CA -0.257 54.060 54.000 0.528 0.000 0.872 156 D CB -0.717 40.478 40.800 0.659 0.000 1.082 156 D HN 0.306 nan 8.370 nan 0.000 0.457 157 L N 0.693 122.156 121.223 0.400 0.000 2.255 157 L HA 0.324 4.662 4.340 -0.003 0.000 0.289 157 L C -0.039 177.229 176.870 0.662 0.000 1.046 157 L CA -0.643 54.463 54.840 0.444 0.000 0.816 157 L CB 1.032 43.273 42.059 0.302 0.000 1.197 157 L HN -0.036 nan 8.230 nan 0.000 0.427 158 L N 5.566 127.071 121.223 0.469 0.000 2.295 158 L HA 0.452 4.791 4.340 -0.003 0.000 0.285 158 L C -2.212 174.667 176.870 0.016 0.000 1.035 158 L CA -2.163 52.855 54.840 0.297 0.000 0.806 158 L CB 1.189 43.379 42.059 0.219 0.000 1.214 158 L HN 0.292 nan 8.230 nan 0.000 0.426 159 P HA -0.029 nan 4.420 nan 0.000 0.256 159 P C -0.851 176.252 177.300 -0.329 0.000 1.173 159 P CA 0.806 63.517 63.100 -0.649 0.000 0.768 159 P CB 0.370 31.751 31.700 -0.532 0.000 0.758 160 T N 4.069 118.424 114.554 -0.332 0.000 2.912 160 T HA 0.403 4.752 4.350 -0.003 0.000 0.299 160 T C -0.628 173.933 174.700 -0.231 0.000 1.052 160 T CA -0.943 61.018 62.100 -0.232 0.000 0.996 160 T CB 1.568 70.351 68.868 -0.141 0.000 1.070 160 T HN 0.146 nan 8.240 nan 0.000 0.465 161 K N 1.527 121.798 120.400 -0.215 0.000 2.259 161 K HA 0.439 4.758 4.320 -0.003 0.000 0.252 161 K C -0.348 176.165 176.600 -0.145 0.000 0.936 161 K CA -0.966 55.208 56.287 -0.187 0.000 0.810 161 K CB 1.464 33.845 32.500 -0.199 0.000 1.143 161 K HN 0.570 nan 8.250 nan 0.000 0.427 162 D N 0.789 121.114 120.400 -0.124 0.000 3.061 162 D HA -0.249 4.389 4.640 -0.003 0.000 0.220 162 D C 0.801 177.048 176.300 -0.089 0.000 1.184 162 D CA 2.044 55.985 54.000 -0.097 0.000 0.922 162 D CB -0.681 40.063 40.800 -0.092 0.000 1.119 162 D HN 1.122 nan 8.370 nan 0.000 0.400 163 G N 0.144 108.886 108.800 -0.097 0.000 2.141 163 G HA2 -0.308 3.651 3.960 -0.003 0.000 0.231 163 G HA3 -0.308 3.651 3.960 -0.003 0.000 0.231 163 G C 0.102 174.950 174.900 -0.086 0.000 0.984 163 G CA 0.814 45.867 45.100 -0.078 0.000 0.660 163 G HN 0.738 nan 8.290 nan 0.000 0.525 164 K N -0.031 120.295 120.400 -0.123 0.000 2.259 164 K HA 0.848 5.166 4.320 -0.003 0.000 0.249 164 K C 0.046 176.508 176.600 -0.231 0.000 0.942 164 K CA -1.205 54.983 56.287 -0.165 0.000 0.816 164 K CB 1.761 34.166 32.500 -0.159 0.000 1.155 164 K HN 0.087 nan 8.250 nan 0.000 0.428 165 L N 2.383 123.415 121.223 -0.318 0.000 2.395 165 L HA 0.236 4.574 4.340 -0.003 0.000 0.269 165 L C 0.925 177.592 176.870 -0.339 0.000 1.133 165 L CA -0.629 54.051 54.840 -0.265 0.000 0.812 165 L CB 1.504 43.488 42.059 -0.125 0.000 1.125 165 L HN 0.772 nan 8.230 nan 0.000 0.452 166 V N -2.300 117.458 119.914 -0.260 0.000 3.578 166 V HA 0.312 4.430 4.120 -0.003 0.000 0.290 166 V C 0.408 176.218 176.094 -0.473 0.000 1.376 166 V CA 0.100 62.155 62.300 -0.408 0.000 1.083 166 V CB -0.736 30.761 31.823 -0.544 0.000 0.911 166 V HN 0.510 nan 8.190 nan 0.000 0.433 167 F N -0.835 119.095 119.950 -0.034 0.000 2.914 167 F HA 0.672 5.197 4.527 -0.003 0.000 0.379 167 F C 0.471 176.359 175.800 0.147 0.000 1.324 167 F CA -1.221 56.793 58.000 0.024 0.000 1.112 167 F CB 0.654 39.680 39.000 0.044 0.000 1.574 167 F HN -0.330 nan 8.300 nan 0.000 0.483 168 V N 2.039 122.117 119.914 0.273 0.000 2.585 168 V HA 0.176 4.294 4.120 -0.003 0.000 0.296 168 V C -0.268 175.873 176.094 0.078 0.000 1.035 168 V CA 0.256 62.596 62.300 0.066 0.000 1.084 168 V CB -0.362 31.433 31.823 -0.047 0.000 0.953 168 V HN 0.714 nan 8.190 nan 0.000 0.483 169 H N 1.744 120.770 119.070 -0.073 0.000 2.990 169 H HA 0.367 4.921 4.556 -0.003 0.000 0.336 169 H C -0.586 174.645 175.328 -0.162 0.000 1.306 169 H CA -0.898 55.078 56.048 -0.119 0.000 1.118 169 H CB 1.529 31.259 29.762 -0.054 0.000 1.856 169 H HN 0.414 nan 8.280 nan 0.000 0.538 170 S N 0.294 115.829 115.700 -0.276 0.000 2.466 170 S HA 0.296 4.764 4.470 -0.003 0.000 0.286 170 S C 0.753 175.278 174.600 -0.125 0.000 1.221 170 S CA -0.022 58.015 58.200 -0.272 0.000 1.091 170 S CB -0.962 62.058 63.200 -0.301 0.000 0.956 170 S HN 0.774 nan 8.310 nan 0.000 0.501 171 A N 6.016 128.718 122.820 -0.197 0.000 3.196 171 A HA 0.166 4.484 4.320 -0.003 0.000 0.275 171 A C 0.569 178.170 177.584 0.028 0.000 2.036 171 A CA 0.114 52.123 52.037 -0.047 0.000 1.503 171 A CB -0.681 18.285 19.000 -0.056 0.000 0.918 171 A HN 0.903 nan 8.150 nan 0.000 0.599 172 Q N -1.565 118.275 119.800 0.067 0.000 3.135 172 Q HA -0.095 4.244 4.340 -0.003 0.000 0.048 172 Q C 0.551 176.543 176.000 -0.014 0.000 1.656 172 Q CA 1.939 57.759 55.803 0.028 0.000 0.292 172 Q CB -1.230 27.529 28.738 0.034 0.000 0.586 172 Q HN 2.331 nan 8.270 nan 0.000 0.322 173 G N 2.948 111.730 108.800 -0.029 0.000 2.436 173 G HA2 -0.159 3.800 3.960 -0.003 0.000 0.205 173 G HA3 -0.159 3.800 3.960 -0.003 0.000 0.205 173 G C -0.568 174.279 174.900 -0.088 0.000 1.188 173 G CA -0.063 45.014 45.100 -0.039 0.000 1.267 173 G HN 0.655 nan 8.290 nan 0.000 0.536 174 N N 1.161 119.806 118.700 -0.092 0.000 2.292 174 N HA 0.568 5.307 4.740 -0.003 0.000 0.303 174 N C -1.443 173.965 175.510 -0.170 0.000 1.140 174 N CA -0.439 52.553 53.050 -0.097 0.000 0.788 174 N CB 1.489 39.982 38.487 0.010 0.000 1.361 174 N HN 0.642 nan 8.380 nan 0.000 0.489 175 E N 1.451 121.524 120.200 -0.212 0.000 7.501 175 E HA -0.097 4.252 4.350 -0.003 0.000 0.196 175 E C -0.868 175.403 176.600 -0.549 0.000 0.892 175 E CA 0.077 56.362 56.400 -0.192 0.000 1.690 175 E CB -0.996 28.648 29.700 -0.093 0.000 0.893 175 E HN 0.547 nan 8.360 nan 0.000 0.263 176 F N 1.452 121.399 119.950 -0.005 0.000 2.710 176 F HA -0.012 4.513 4.527 -0.003 0.000 0.298 176 F C 2.353 177.947 175.800 -0.344 0.000 1.137 176 F CA 0.443 58.402 58.000 -0.069 0.000 1.444 176 F CB -0.146 38.954 39.000 0.166 0.000 1.111 176 F HN 0.628 nan 8.300 nan 0.000 0.580 177 W N 1.373 122.289 121.300 -0.639 0.000 2.305 177 W HA -0.295 4.364 4.660 -0.002 0.000 0.308 177 W C 2.027 178.283 176.519 -0.439 0.000 1.226 177 W CA 1.492 58.231 57.345 -1.010 0.000 1.253 177 W CB -1.825 26.931 29.460 -1.173 0.000 1.146 177 W HN 0.209 nan 8.180 nan 0.000 0.507 178 S N 1.724 116.454 115.700 -1.616 0.000 2.383 178 S HA -0.077 4.391 4.470 -0.003 0.000 0.229 178 S C 2.217 176.493 174.600 -0.541 0.000 1.030 178 S CA 1.869 59.308 58.200 -1.268 0.000 1.002 178 S CB -1.080 61.381 63.200 -1.231 0.000 0.829 178 S HN 0.387 nan 8.310 nan 0.000 0.467 179 A N 2.372 124.982 122.820 -0.349 0.000 1.854 179 A HA 0.226 4.545 4.320 -0.003 0.000 0.214 179 A C 2.323 179.888 177.584 -0.033 0.000 1.192 179 A CA 1.299 53.286 52.037 -0.085 0.000 0.611 179 A CB -0.917 18.134 19.000 0.084 0.000 0.832 179 A HN 0.516 nan 8.150 nan 0.000 0.442 180 L N -0.539 120.704 121.223 0.033 0.000 2.191 180 L HA -0.144 4.194 4.340 -0.003 0.000 0.212 180 L C 2.508 179.132 176.870 -0.409 0.000 1.103 180 L CA 1.004 55.896 54.840 0.086 0.000 0.769 180 L CB -0.677 41.627 42.059 0.409 0.000 0.908 180 L HN 0.496 nan 8.230 nan 0.000 0.438 181 L N 0.187 121.016 121.223 -0.658 0.000 2.046 181 L HA -0.234 4.105 4.340 -0.003 0.000 0.208 181 L C 2.583 179.107 176.870 -0.576 0.000 1.077 181 L CA 1.694 55.902 54.840 -1.054 0.000 0.747 181 L CB -0.359 41.293 42.059 -0.678 0.000 0.896 181 L HN 0.257 nan 8.230 nan 0.000 0.432 182 E N -0.251 119.756 120.200 -0.321 0.000 2.147 182 E HA -0.340 4.008 4.350 -0.003 0.000 0.199 182 E C 2.176 178.665 176.600 -0.185 0.000 1.005 182 E CA 1.829 58.135 56.400 -0.156 0.000 0.810 182 E CB -0.100 29.541 29.700 -0.097 0.000 0.736 182 E HN 0.513 nan 8.360 nan 0.000 0.460 183 K N -0.388 119.938 120.400 -0.122 0.000 2.167 183 K HA -0.030 4.288 4.320 -0.003 0.000 0.203 183 K C 2.022 178.525 176.600 -0.162 0.000 1.052 183 K CA 0.756 57.004 56.287 -0.065 0.000 0.956 183 K CB -0.036 32.605 32.500 0.235 0.000 0.735 183 K HN 0.124 nan 8.250 nan 0.000 0.451 184 A N 0.676 123.402 122.820 -0.157 0.000 1.883 184 A HA -0.218 4.101 4.320 -0.003 0.000 0.217 184 A C 2.025 179.527 177.584 -0.137 0.000 1.186 184 A CA 1.282 53.235 52.037 -0.140 0.000 0.624 184 A CB -1.062 17.878 19.000 -0.101 0.000 0.822 184 A HN 0.558 nan 8.150 nan 0.000 0.444 185 Y N -0.145 120.019 120.300 -0.227 0.000 2.403 185 Y HA -0.121 4.427 4.550 -0.003 0.000 0.291 185 Y C 2.643 178.429 175.900 -0.189 0.000 1.143 185 Y CA 0.431 58.445 58.100 -0.144 0.000 1.257 185 Y CB -0.041 38.407 38.460 -0.019 0.000 0.984 185 Y HN 0.423 nan 8.280 nan 0.000 0.550 186 A N 0.392 123.076 122.820 -0.227 0.000 1.872 186 A HA -0.196 4.123 4.320 -0.003 0.000 0.214 186 A C 2.119 179.507 177.584 -0.326 0.000 1.187 186 A CA 1.557 53.405 52.037 -0.315 0.000 0.614 186 A CB -0.640 18.042 19.000 -0.530 0.000 0.826 186 A HN 0.432 nan 8.150 nan 0.000 0.442 187 K N -0.280 119.602 120.400 -0.864 0.000 2.107 187 K HA -0.182 4.137 4.320 -0.003 0.000 0.211 187 K C 1.735 178.183 176.600 -0.254 0.000 1.049 187 K CA 2.038 57.642 56.287 -1.138 0.000 0.927 187 K CB -0.301 31.431 32.500 -1.280 0.000 0.714 187 K HN 0.221 nan 8.250 nan 0.000 0.452 188 V N 1.694 121.480 119.914 -0.213 0.000 2.407 188 V HA -0.135 3.984 4.120 -0.003 0.000 0.245 188 V C 1.290 177.406 176.094 0.037 0.000 1.041 188 V CA 1.427 63.632 62.300 -0.159 0.000 1.040 188 V CB -0.344 31.327 31.823 -0.254 0.000 0.671 188 V HN 0.385 nan 8.190 nan 0.000 0.455 189 N N 0.305 118.986 118.700 -0.032 0.000 2.441 189 N HA 0.085 4.823 4.740 -0.003 0.000 0.225 189 N C 1.567 177.134 175.510 0.096 0.000 1.208 189 N CA 0.886 53.943 53.050 0.011 0.000 0.847 189 N CB 0.512 38.915 38.487 -0.140 0.000 1.121 189 N HN 0.571 nan 8.380 nan 0.000 0.479 190 G N 0.719 109.622 108.800 0.171 0.000 2.623 190 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.241 190 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.241 190 G C 0.331 175.456 174.900 0.375 0.000 1.114 190 G CA 1.212 46.469 45.100 0.262 0.000 0.682 190 G HN 0.724 nan 8.290 nan 0.000 0.524 191 S N -3.102 112.795 115.700 0.329 0.000 2.669 191 S HA 0.515 4.984 4.470 -0.003 0.000 0.266 191 S C 0.180 174.942 174.600 0.271 0.000 1.149 191 S CA 0.254 58.706 58.200 0.420 0.000 0.842 191 S CB 0.143 63.557 63.200 0.357 0.000 1.160 191 S HN 0.510 nan 8.310 nan 0.000 0.487 192 Y N 0.648 121.050 120.300 0.170 0.000 2.574 192 Y HA 0.097 4.646 4.550 -0.003 0.000 0.294 192 Y C 2.401 178.337 175.900 0.060 0.000 1.142 192 Y CA 1.712 59.824 58.100 0.019 0.000 1.314 192 Y CB -0.033 38.301 38.460 -0.210 0.000 0.991 192 Y HN 0.853 nan 8.280 nan 0.000 0.555 193 E N -0.177 120.164 120.200 0.236 0.000 2.083 193 E HA 0.059 4.408 4.350 -0.003 0.000 0.193 193 E C 2.254 179.011 176.600 0.261 0.000 0.950 193 E CA 1.021 57.530 56.400 0.181 0.000 0.849 193 E CB -0.554 29.184 29.700 0.063 0.000 0.827 193 E HN 0.083 nan 8.360 nan 0.000 0.465 194 A N 1.454 124.480 122.820 0.344 0.000 2.194 194 A HA -0.122 4.196 4.320 -0.003 0.000 0.220 194 A C 1.830 179.508 177.584 0.157 0.000 1.162 194 A CA 1.192 53.400 52.037 0.285 0.000 0.674 194 A CB -0.732 18.409 19.000 0.235 0.000 0.789 194 A HN 0.414 nan 8.150 nan 0.000 0.470 195 L N 0.606 121.901 121.223 0.121 0.000 2.653 195 L HA 0.184 4.523 4.340 -0.003 0.000 0.232 195 L C -0.114 176.927 176.870 0.285 0.000 1.169 195 L CA 0.657 55.530 54.840 0.055 0.000 0.951 195 L CB -0.979 41.014 42.059 -0.111 0.000 1.181 195 L HN 0.395 nan 8.230 nan 0.000 0.460 196 S N -2.315 113.560 115.700 0.291 0.000 2.503 196 S HA 0.686 5.154 4.470 -0.003 0.000 0.301 196 S C 1.030 175.830 174.600 0.334 0.000 1.087 196 S CA -0.070 58.370 58.200 0.399 0.000 1.042 196 S CB 1.797 65.157 63.200 0.267 0.000 1.043 196 S HN 0.403 nan 8.310 nan 0.000 0.489 197 G N 1.439 110.517 108.800 0.462 0.000 2.270 197 G HA2 -0.190 3.769 3.960 -0.003 0.000 0.268 197 G HA3 -0.190 3.769 3.960 -0.003 0.000 0.268 197 G C 0.826 175.498 174.900 -0.381 0.000 0.982 197 G CA 0.362 45.532 45.100 0.117 0.000 0.628 197 G HN 1.747 nan 8.290 nan 0.000 0.544 198 G N -0.643 107.844 108.800 -0.522 0.000 2.754 198 G HA2 0.135 4.093 3.960 -0.003 0.000 0.228 198 G HA3 0.135 4.093 3.960 -0.003 0.000 0.228 198 G C 1.002 174.974 174.900 -1.546 0.000 1.016 198 G CA 0.865 45.278 45.100 -1.146 0.000 0.898 198 G HN 1.481 nan 8.290 nan 0.000 0.463 199 C N 1.330 120.083 119.300 -0.913 0.000 2.480 199 C HA 0.607 5.066 4.460 -0.003 0.000 0.358 199 C C 2.363 177.004 174.990 -0.581 0.000 1.309 199 C CA 0.448 59.106 59.018 -0.600 0.000 2.465 199 C CB 1.239 28.771 27.740 -0.348 0.000 2.379 199 C HN 1.021 nan 8.230 nan 0.000 0.642 200 T N -0.024 114.361 114.554 -0.281 0.000 3.057 200 T HA -0.036 4.312 4.350 -0.003 0.000 0.254 200 T C 1.772 176.271 174.700 -0.335 0.000 1.094 200 T CA 1.639 63.637 62.100 -0.169 0.000 1.088 200 T CB -0.288 68.538 68.868 -0.070 0.000 0.934 200 T HN 0.810 nan 8.240 nan 0.000 0.497 201 S N 1.199 116.787 115.700 -0.186 0.000 2.338 201 S HA -0.077 4.392 4.470 -0.003 0.000 0.218 201 S C 2.403 176.904 174.600 -0.163 0.000 1.032 201 S CA 2.084 60.237 58.200 -0.078 0.000 0.999 201 S CB -1.038 62.132 63.200 -0.049 0.000 0.905 201 S HN 0.788 nan 8.310 nan 0.000 0.439 202 E N 0.577 120.646 120.200 -0.219 0.000 2.331 202 E HA 0.118 4.466 4.350 -0.003 0.000 0.199 202 E C 1.998 178.429 176.600 -0.283 0.000 1.008 202 E CA 1.448 57.710 56.400 -0.231 0.000 0.843 202 E CB -1.206 28.355 29.700 -0.231 0.000 0.761 202 E HN 0.868 nan 8.360 nan 0.000 0.507 203 A N -0.780 121.821 122.820 -0.364 0.000 1.970 203 A HA 0.260 4.578 4.320 -0.003 0.000 0.216 203 A C 2.126 179.214 177.584 -0.826 0.000 1.170 203 A CA 0.905 52.554 52.037 -0.648 0.000 0.645 203 A CB -0.375 18.341 19.000 -0.473 0.000 0.816 203 A HN 0.511 nan 8.150 nan 0.000 0.447 204 F N 0.073 119.795 119.950 -0.380 0.000 2.126 204 F HA -0.213 4.312 4.527 -0.003 0.000 0.299 204 F C 2.530 178.150 175.800 -0.300 0.000 1.096 204 F CA 1.587 59.430 58.000 -0.261 0.000 1.255 204 F CB -0.047 38.862 39.000 -0.151 0.000 0.997 204 F HN 0.279 nan 8.300 nan 0.000 0.479 205 E N 0.317 120.413 120.200 -0.174 0.000 2.028 205 E HA -0.207 4.141 4.350 -0.003 0.000 0.191 205 E C 1.648 178.035 176.600 -0.355 0.000 0.988 205 E CA 1.569 57.736 56.400 -0.388 0.000 0.799 205 E CB -0.091 29.348 29.700 -0.434 0.000 0.755 205 E HN 0.272 nan 8.360 nan 0.000 0.447 206 D N -0.300 119.950 120.400 -0.249 0.000 2.218 206 D HA -0.150 4.488 4.640 -0.003 0.000 0.204 206 D C 1.217 177.501 176.300 -0.026 0.000 0.976 206 D CA 0.822 54.724 54.000 -0.162 0.000 0.853 206 D CB -0.072 40.565 40.800 -0.272 0.000 0.939 206 D HN 0.173 nan 8.370 nan 0.000 0.481 207 F N -0.161 119.727 119.950 -0.104 0.000 2.664 207 F HA 0.148 4.673 4.527 -0.003 0.000 0.296 207 F C 2.125 177.989 175.800 0.106 0.000 1.125 207 F CA 0.572 58.568 58.000 -0.006 0.000 1.444 207 F CB -0.326 38.691 39.000 0.029 0.000 1.114 207 F HN -0.097 nan 8.300 nan 0.000 0.576 208 T N -2.251 112.408 114.554 0.174 0.000 3.075 208 T HA 0.350 4.698 4.350 -0.003 0.000 0.251 208 T C 1.690 176.462 174.700 0.121 0.000 0.979 208 T CA 0.820 63.007 62.100 0.144 0.000 1.033 208 T CB 0.506 69.395 68.868 0.036 0.000 1.104 208 T HN 0.206 nan 8.240 nan 0.000 0.473 209 G N 0.958 109.574 108.800 -0.307 0.000 2.194 209 G HA2 -0.118 3.841 3.960 -0.003 0.000 0.236 209 G HA3 -0.118 3.841 3.960 -0.003 0.000 0.236 209 G C 0.519 174.984 174.900 -0.725 0.000 0.987 209 G CA 0.188 44.789 45.100 -0.831 0.000 0.635 209 G HN 0.852 nan 8.290 nan 0.000 0.520 210 G N -1.211 107.328 108.800 -0.436 0.000 2.695 210 G HA2 0.705 4.663 3.960 -0.003 0.000 0.213 210 G HA3 0.705 4.663 3.960 -0.003 0.000 0.213 210 G C -0.145 174.413 174.900 -0.569 0.000 1.406 210 G CA 0.251 45.138 45.100 -0.356 0.000 1.049 210 G HN 1.134 nan 8.290 nan 0.000 0.573 211 V N -1.805 117.686 119.914 -0.705 0.000 3.103 211 V HA 0.817 4.935 4.120 -0.003 0.000 0.318 211 V C -0.312 175.459 176.094 -0.538 0.000 1.114 211 V CA -0.409 61.427 62.300 -0.774 0.000 1.020 211 V CB 2.369 33.380 31.823 -1.352 0.000 1.085 211 V HN 0.865 nan 8.190 nan 0.000 0.446 212 T N 2.724 117.027 114.554 -0.417 0.000 2.909 212 T HA 0.671 5.019 4.350 -0.003 0.000 0.299 212 T C -1.690 172.877 174.700 -0.220 0.000 1.073 212 T CA -0.488 61.460 62.100 -0.254 0.000 0.999 212 T CB 1.329 70.106 68.868 -0.152 0.000 1.098 212 T HN 0.920 nan 8.240 nan 0.000 0.477 213 E N 3.222 123.318 120.200 -0.173 0.000 2.321 213 E HA 0.531 4.879 4.350 -0.003 0.000 0.281 213 E C -1.165 175.303 176.600 -0.219 0.000 0.910 213 E CA -1.171 55.076 56.400 -0.255 0.000 0.770 213 E CB 1.452 30.949 29.700 -0.338 0.000 1.225 213 E HN 0.688 nan 8.360 nan 0.000 0.417 214 W N 2.645 123.694 121.300 -0.417 0.000 2.781 214 W HA 0.684 5.343 4.660 -0.003 0.000 0.345 214 W C -1.935 174.274 176.519 -0.517 0.000 1.085 214 W CA -1.193 55.951 57.345 -0.335 0.000 1.198 214 W CB 0.587 29.947 29.460 -0.166 0.000 1.423 214 W HN 0.599 nan 8.180 nan 0.000 0.532 215 Y N 1.197 121.591 120.300 0.157 0.000 2.457 215 Y HA 0.130 4.679 4.550 -0.003 0.000 0.343 215 Y C -0.205 175.748 175.900 0.089 0.000 0.994 215 Y CA -0.901 57.165 58.100 -0.057 0.000 1.031 215 Y CB 1.921 40.306 38.460 -0.125 0.000 1.246 215 Y HN 0.337 nan 8.280 nan 0.000 0.449 216 D N 3.395 123.893 120.400 0.163 0.000 2.352 216 D HA 0.133 4.772 4.640 -0.003 0.000 0.245 216 D C 0.734 176.919 176.300 -0.191 0.000 1.224 216 D CA 0.281 54.151 54.000 -0.217 0.000 0.879 216 D CB 0.878 41.703 40.800 0.042 0.000 1.057 216 D HN 0.664 nan 8.370 nan 0.000 0.491 217 L N 3.034 124.069 121.223 -0.314 0.000 2.261 217 L HA -0.213 4.125 4.340 -0.003 0.000 0.216 217 L C 2.451 179.268 176.870 -0.088 0.000 1.114 217 L CA 1.515 56.249 54.840 -0.177 0.000 0.777 217 L CB -0.584 41.412 42.059 -0.105 0.000 0.910 217 L HN 0.522 nan 8.230 nan 0.000 0.440 218 Q N 0.550 120.324 119.800 -0.043 0.000 2.360 218 Q HA 0.213 4.552 4.340 -0.003 0.000 0.202 218 Q C 1.181 177.227 176.000 0.078 0.000 0.915 218 Q CA 1.043 56.904 55.803 0.097 0.000 0.943 218 Q CB -0.217 28.659 28.738 0.230 0.000 1.064 218 Q HN 0.516 nan 8.270 nan 0.000 0.511 219 K N -0.373 120.039 120.400 0.020 0.000 3.333 219 K HA 0.759 5.078 4.320 -0.003 0.000 0.173 219 K C -0.290 176.288 176.600 -0.036 0.000 1.138 219 K CA 0.128 56.427 56.287 0.020 0.000 0.771 219 K CB -0.181 32.360 32.500 0.068 0.000 0.982 219 K HN 0.981 nan 8.250 nan 0.000 0.572 220 A N 2.641 125.388 122.820 -0.121 0.000 2.363 220 A HA 0.788 5.106 4.320 -0.003 0.000 0.270 220 A C -1.942 175.555 177.584 -0.145 0.000 1.121 220 A CA -1.222 50.699 52.037 -0.193 0.000 0.800 220 A CB -0.077 18.694 19.000 -0.381 0.000 1.052 220 A HN 0.484 nan 8.150 nan 0.000 0.493 221 P HA 0.134 nan 4.420 nan 0.000 0.275 221 P C 0.884 178.126 177.300 -0.096 0.000 1.228 221 P CA -0.005 63.036 63.100 -0.098 0.000 0.786 221 P CB 1.139 32.777 31.700 -0.104 0.000 0.927 222 S N 0.861 116.538 115.700 -0.039 0.000 2.423 222 S HA -0.237 4.231 4.470 -0.003 0.000 0.238 222 S C 1.067 175.654 174.600 -0.022 0.000 1.028 222 S CA 1.562 59.759 58.200 -0.006 0.000 1.000 222 S CB -0.954 62.253 63.200 0.013 0.000 0.797 222 S HN 0.681 nan 8.310 nan 0.000 0.487 223 D N 0.750 121.116 120.400 -0.058 0.000 2.434 223 D HA 0.101 4.740 4.640 -0.003 0.000 0.232 223 D C 1.265 177.492 176.300 -0.121 0.000 1.166 223 D CA -0.325 53.634 54.000 -0.068 0.000 0.830 223 D CB -0.291 40.479 40.800 -0.050 0.000 0.960 223 D HN 0.405 nan 8.370 nan 0.000 0.497 224 L N -0.464 120.674 121.223 -0.141 0.000 2.179 224 L HA -0.042 4.297 4.340 -0.003 0.000 0.208 224 L C 1.509 178.272 176.870 -0.178 0.000 1.096 224 L CA 0.874 55.583 54.840 -0.219 0.000 0.779 224 L CB -0.477 41.454 42.059 -0.214 0.000 0.922 224 L HN 0.115 nan 8.230 nan 0.000 0.443 225 Y N 0.710 120.828 120.300 -0.303 0.000 2.373 225 Y HA -0.220 4.328 4.550 -0.003 0.000 0.293 225 Y C 2.558 178.308 175.900 -0.250 0.000 1.129 225 Y CA 1.459 59.304 58.100 -0.425 0.000 1.226 225 Y CB 0.247 38.314 38.460 -0.655 0.000 1.000 225 Y HN 0.340 nan 8.280 nan 0.000 0.549 226 Q N -0.216 119.455 119.800 -0.215 0.000 2.165 226 Q HA -0.027 4.311 4.340 -0.003 0.000 0.197 226 Q C 2.179 178.080 176.000 -0.164 0.000 0.952 226 Q CA 1.334 57.022 55.803 -0.191 0.000 0.848 226 Q CB 0.023 28.702 28.738 -0.099 0.000 0.931 226 Q HN 0.477 nan 8.270 nan 0.000 0.470 227 I N 1.169 121.656 120.570 -0.138 0.000 2.145 227 I HA -0.344 3.824 4.170 -0.003 0.000 0.244 227 I C 2.297 178.351 176.117 -0.104 0.000 1.075 227 I CA 1.459 62.701 61.300 -0.097 0.000 1.332 227 I CB -0.505 37.410 38.000 -0.142 0.000 1.033 227 I HN 0.210 nan 8.210 nan 0.000 0.410 228 I N 0.069 120.539 120.570 -0.166 0.000 2.099 228 I HA -0.317 3.851 4.170 -0.003 0.000 0.239 228 I C 2.553 178.561 176.117 -0.182 0.000 1.066 228 I CA 1.258 62.467 61.300 -0.150 0.000 1.324 228 I CB -0.356 37.533 38.000 -0.185 0.000 1.037 228 I HN 0.178 nan 8.210 nan 0.000 0.401 229 L N 0.981 122.026 121.223 -0.298 0.000 2.010 229 L HA -0.305 4.034 4.340 -0.003 0.000 0.219 229 L C 2.418 179.188 176.870 -0.167 0.000 1.077 229 L CA 1.979 56.667 54.840 -0.253 0.000 0.773 229 L CB -0.930 40.943 42.059 -0.312 0.000 0.892 229 L HN 0.182 nan 8.230 nan 0.000 0.436 230 K N -1.416 118.893 120.400 -0.152 0.000 2.152 230 K HA -0.147 4.171 4.320 -0.003 0.000 0.206 230 K C 2.024 178.545 176.600 -0.132 0.000 1.048 230 K CA 1.284 57.477 56.287 -0.156 0.000 0.933 230 K CB -0.307 32.096 32.500 -0.161 0.000 0.721 230 K HN 0.412 nan 8.250 nan 0.000 0.447 231 A N 0.844 123.629 122.820 -0.059 0.000 1.929 231 A HA -0.067 4.251 4.320 -0.003 0.000 0.216 231 A C 1.920 179.497 177.584 -0.011 0.000 1.176 231 A CA 0.875 52.931 52.037 0.032 0.000 0.628 231 A CB -0.214 18.819 19.000 0.055 0.000 0.816 231 A HN 0.074 nan 8.150 nan 0.000 0.444 232 L N 0.371 121.557 121.223 -0.061 0.000 2.217 232 L HA -0.126 4.212 4.340 -0.003 0.000 0.211 232 L C 2.342 179.174 176.870 -0.063 0.000 1.107 232 L CA 2.211 57.012 54.840 -0.065 0.000 0.783 232 L CB -1.252 40.756 42.059 -0.085 0.000 0.919 232 L HN 0.795 nan 8.230 nan 0.000 0.442 233 E N -1.349 118.799 120.200 -0.086 0.000 2.452 233 E HA -0.095 4.253 4.350 -0.003 0.000 0.197 233 E C 1.899 178.440 176.600 -0.097 0.000 1.022 233 E CA -0.050 56.298 56.400 -0.086 0.000 0.890 233 E CB -0.015 29.628 29.700 -0.095 0.000 0.918 233 E HN 0.075 nan 8.360 nan 0.000 0.496 234 R N 0.268 120.697 120.500 -0.118 0.000 2.313 234 R HA 0.136 4.474 4.340 -0.003 0.000 0.199 234 R C 1.140 177.450 176.300 0.016 0.000 0.958 234 R CA 0.980 57.014 56.100 -0.110 0.000 1.047 234 R CB 0.137 30.287 30.300 -0.251 0.000 0.955 234 R HN 0.405 nan 8.270 nan 0.000 0.481 235 G N -1.101 107.703 108.800 0.006 0.000 2.175 235 G HA2 -0.281 3.678 3.960 -0.003 0.000 0.244 235 G HA3 -0.281 3.678 3.960 -0.003 0.000 0.244 235 G C 0.201 175.113 174.900 0.019 0.000 0.982 235 G CA 0.261 45.370 45.100 0.015 0.000 0.641 235 G HN 0.321 nan 8.290 nan 0.000 0.527 236 S N 0.125 115.856 115.700 0.051 0.000 2.560 236 S HA 0.352 4.820 4.470 -0.003 0.000 0.276 236 S C 0.888 175.452 174.600 -0.061 0.000 1.350 236 S CA 0.208 58.423 58.200 0.025 0.000 1.024 236 S CB 0.332 63.591 63.200 0.098 0.000 0.864 236 S HN 0.563 nan 8.310 nan 0.000 0.536 237 L N 2.856 123.998 121.223 -0.135 0.000 2.282 237 L HA 0.360 4.698 4.340 -0.003 0.000 0.287 237 L C -0.991 175.754 176.870 -0.208 0.000 1.075 237 L CA -0.561 54.145 54.840 -0.224 0.000 0.839 237 L CB -0.371 41.444 42.059 -0.407 0.000 1.219 237 L HN 0.311 nan 8.230 nan 0.000 0.434 238 L N 3.322 124.471 121.223 -0.125 0.000 2.264 238 L HA 0.637 4.976 4.340 -0.003 0.000 0.289 238 L C 0.715 177.560 176.870 -0.041 0.000 1.044 238 L CA 0.269 55.067 54.840 -0.070 0.000 0.807 238 L CB 1.539 43.573 42.059 -0.042 0.000 1.192 238 L HN 0.565 nan 8.230 nan 0.000 0.425 239 G N 2.104 110.912 108.800 0.013 0.000 2.416 239 G HA2 0.608 4.566 3.960 -0.003 0.000 0.329 239 G HA3 0.608 4.566 3.960 -0.003 0.000 0.329 239 G C -1.145 173.839 174.900 0.140 0.000 1.173 239 G CA -0.296 44.868 45.100 0.108 0.000 0.929 239 G HN 0.645 nan 8.290 nan 0.000 0.475 240 C N 0.454 119.852 119.300 0.162 0.000 2.667 240 C HA 0.967 5.426 4.460 -0.003 0.000 0.323 240 C C 0.289 175.407 174.990 0.213 0.000 1.214 240 C CA -0.542 58.576 59.018 0.166 0.000 1.721 240 C CB 1.398 29.218 27.740 0.133 0.000 2.275 240 C HN 1.100 nan 8.230 nan 0.000 0.491 241 S N 1.411 117.234 115.700 0.205 0.000 2.552 241 S HA 0.629 5.098 4.470 -0.003 0.000 0.272 241 S C -1.490 173.256 174.600 0.244 0.000 1.150 241 S CA -0.529 57.806 58.200 0.226 0.000 0.849 241 S CB 1.165 64.488 63.200 0.204 0.000 1.113 241 S HN 0.835 nan 8.310 nan 0.000 0.458 242 I N 2.603 123.300 120.570 0.212 0.000 2.460 242 I HA 0.524 4.692 4.170 -0.003 0.000 0.298 242 I C 0.311 176.507 176.117 0.132 0.000 0.989 242 I CA 0.293 61.713 61.300 0.200 0.000 1.173 242 I CB 0.478 38.569 38.000 0.151 0.000 1.338 242 I HN 1.186 nan 8.210 nan 0.000 0.456 257 N N 2.211 120.947 118.700 0.060 0.000 3.027 257 N HA 0.034 4.772 4.740 -0.003 0.000 0.309 257 N C -0.410 175.133 175.510 0.055 0.000 1.222 257 N CA 0.236 53.319 53.050 0.055 0.000 1.187 257 N CB -0.238 38.270 38.487 0.035 0.000 1.458 257 N HN 0.246 nan 8.380 nan 0.000 0.535 258 L N 0.987 122.258 121.223 0.080 0.000 2.343 258 L HA 0.854 5.192 4.340 -0.003 0.000 0.275 258 L C 0.289 177.217 176.870 0.096 0.000 1.056 258 L CA -0.502 54.388 54.840 0.083 0.000 0.804 258 L CB 1.139 43.259 42.059 0.101 0.000 1.203 258 L HN 0.143 nan 8.230 nan 0.000 0.440 262 H N 0.928 119.856 119.070 -0.237 0.000 2.022 262 H HA 0.808 5.362 4.556 -0.003 0.000 0.247 262 H C 0.959 176.240 175.328 -0.077 0.000 1.663 262 H CA 0.550 56.358 56.048 -0.400 0.000 1.440 262 H CB 0.776 30.057 29.762 -0.802 0.000 1.744 262 H HN 1.226 nan 8.280 nan 0.000 0.639 263 A N -0.885 121.975 122.820 0.066 0.000 2.259 263 A HA 0.314 4.633 4.320 -0.003 0.000 0.276 263 A C -1.893 175.766 177.584 0.126 0.000 0.938 263 A CA -0.690 51.444 52.037 0.162 0.000 0.750 263 A CB -0.609 18.538 19.000 0.245 0.000 0.919 263 A HN 0.408 nan 8.150 nan 0.000 0.346 264 Y N 1.109 121.529 120.300 0.200 0.000 2.487 264 Y HA 0.699 5.248 4.550 -0.003 0.000 0.337 264 Y C 0.904 176.844 175.900 0.068 0.000 1.076 264 Y CA -0.002 58.187 58.100 0.148 0.000 1.115 264 Y CB 2.498 41.035 38.460 0.128 0.000 1.235 264 Y HN 0.775 nan 8.280 nan 0.000 0.468 265 S N 0.839 116.645 115.700 0.177 0.000 2.532 265 S HA 0.557 5.025 4.470 -0.003 0.000 0.301 265 S C -1.036 173.524 174.600 -0.066 0.000 1.083 265 S CA -0.960 57.267 58.200 0.046 0.000 1.025 265 S CB 1.796 65.005 63.200 0.015 0.000 1.056 265 S HN 0.325 nan 8.310 nan 0.000 0.494 266 V N 3.030 122.888 119.914 -0.094 0.000 2.432 266 V HA 0.488 4.606 4.120 -0.003 0.000 0.271 266 V C 0.423 176.410 176.094 -0.179 0.000 1.046 266 V CA -0.240 61.962 62.300 -0.163 0.000 0.945 266 V CB 0.778 32.535 31.823 -0.110 0.000 0.992 266 V HN 1.073 nan 8.190 nan 0.000 0.471 267 T N 0.946 115.343 114.554 -0.262 0.000 2.812 267 T HA 0.675 5.023 4.350 -0.003 0.000 0.282 267 T C -0.223 174.297 174.700 -0.300 0.000 0.990 267 T CA 0.324 62.280 62.100 -0.241 0.000 0.960 267 T CB 1.169 69.911 68.868 -0.210 0.000 0.948 267 T HN 1.426 nan 8.240 nan 0.000 0.438 268 D N 0.163 120.441 120.400 -0.203 0.000 10.981 268 D HA 0.418 5.056 4.640 -0.003 0.000 0.357 268 D C 0.004 176.168 176.300 -0.227 0.000 3.119 268 D CA 0.101 53.990 54.000 -0.185 0.000 2.642 268 D CB -1.382 39.338 40.800 -0.134 0.000 1.160 268 D HN 2.320 nan 8.370 nan 0.000 0.934 269 A N 1.342 124.188 122.820 0.042 0.000 2.518 269 A HA 0.709 5.028 4.320 -0.003 0.000 0.295 269 A C -0.513 177.244 177.584 0.288 0.000 1.052 269 A CA -0.032 52.113 52.037 0.179 0.000 0.824 269 A CB 1.317 20.294 19.000 -0.038 0.000 1.325 269 A HN 0.962 nan 8.150 nan 0.000 0.394 270 K N 1.968 122.627 120.400 0.431 0.000 2.543 270 K HA 0.460 4.779 4.320 -0.003 0.000 0.255 270 K C -1.262 175.412 176.600 0.124 0.000 0.934 270 K CA -0.753 55.657 56.287 0.204 0.000 0.810 270 K CB 2.502 35.056 32.500 0.091 0.000 1.315 270 K HN 0.854 nan 8.250 nan 0.000 0.433 271 Q N 1.831 121.679 119.800 0.080 0.000 2.312 271 Q HA 0.622 4.961 4.340 -0.003 0.000 0.263 271 Q C -0.392 175.598 176.000 -0.015 0.000 0.995 271 Q CA -0.809 55.018 55.803 0.039 0.000 0.853 271 Q CB 2.001 30.790 28.738 0.084 0.000 1.300 271 Q HN 0.449 nan 8.270 nan 0.000 0.448 272 V N -1.031 118.868 119.914 -0.025 0.000 3.156 272 V HA 0.767 4.886 4.120 -0.003 0.000 0.310 272 V C -0.695 175.444 176.094 0.075 0.000 1.234 272 V CA -0.762 61.535 62.300 -0.006 0.000 1.065 272 V CB 1.897 33.688 31.823 -0.053 0.000 1.088 272 V HN 0.800 nan 8.190 nan 0.000 0.451 273 T N 2.162 116.777 114.554 0.102 0.000 2.797 273 T HA 0.684 5.033 4.350 -0.003 0.000 0.279 273 T C -1.442 173.400 174.700 0.237 0.000 0.991 273 T CA 0.015 62.192 62.100 0.128 0.000 0.979 273 T CB 0.824 69.731 68.868 0.065 0.000 0.943 273 T HN 0.924 nan 8.240 nan 0.000 0.444 274 Y N 1.805 122.154 120.300 0.082 0.000 2.470 274 Y HA 0.279 4.827 4.550 -0.003 0.000 0.341 274 Y C 0.021 175.935 175.900 0.023 0.000 1.021 274 Y CA -0.883 57.257 58.100 0.065 0.000 1.025 274 Y CB 1.427 39.980 38.460 0.155 0.000 1.266 274 Y HN 0.745 nan 8.280 nan 0.000 0.448 275 Q N 4.518 123.996 119.800 -0.537 0.000 2.406 275 Q HA -0.293 4.045 4.340 -0.003 0.000 0.339 275 Q C 0.872 176.775 176.000 -0.162 0.000 1.337 275 Q CA 1.397 56.967 55.803 -0.389 0.000 0.985 275 Q CB -1.568 26.895 28.738 -0.458 0.000 1.216 275 Q HN 1.292 nan 8.270 nan 0.000 0.415 276 G N -1.978 106.769 108.800 -0.089 0.000 2.799 276 G HA2 -0.192 3.767 3.960 -0.003 0.000 0.200 276 G HA3 -0.192 3.767 3.960 -0.003 0.000 0.200 276 G C -0.027 174.874 174.900 0.001 0.000 1.206 276 G CA 0.075 45.151 45.100 -0.039 0.000 0.827 276 G HN 0.205 nan 8.290 nan 0.000 0.511 277 Q N -0.206 119.617 119.800 0.039 0.000 2.882 277 Q HA 0.609 4.947 4.340 -0.003 0.000 0.315 277 Q C -0.412 175.645 176.000 0.093 0.000 1.004 277 Q CA -0.775 55.062 55.803 0.056 0.000 0.777 277 Q CB 0.897 29.663 28.738 0.046 0.000 1.506 277 Q HN 0.470 nan 8.270 nan 0.000 0.489 278 R N 0.711 121.257 120.500 0.076 0.000 2.234 278 R HA 0.391 4.729 4.340 -0.003 0.000 0.324 278 R C -0.004 176.345 176.300 0.081 0.000 1.054 278 R CA -0.343 55.802 56.100 0.075 0.000 0.912 278 R CB 0.490 30.817 30.300 0.044 0.000 1.030 278 R HN 0.396 nan 8.270 nan 0.000 0.455 279 V N 0.935 120.910 119.914 0.100 0.000 2.581 279 V HA 0.364 4.483 4.120 -0.003 0.000 0.303 279 V C -0.131 175.951 176.094 -0.019 0.000 1.041 279 V CA -1.038 61.310 62.300 0.081 0.000 0.907 279 V CB 1.859 33.806 31.823 0.208 0.000 0.994 279 V HN 0.689 nan 8.190 nan 0.000 0.442 280 N N 4.447 123.084 118.700 -0.106 0.000 2.420 280 N HA 0.469 5.207 4.740 -0.003 0.000 0.262 280 N C -0.674 174.767 175.510 -0.115 0.000 1.144 280 N CA -0.298 52.567 53.050 -0.308 0.000 0.952 280 N CB 0.654 38.636 38.487 -0.841 0.000 1.081 280 N HN 0.646 nan 8.380 nan 0.000 0.480 281 L N 3.017 124.257 121.223 0.028 0.000 2.334 281 L HA 0.626 4.965 4.340 -0.003 0.000 0.270 281 L C -0.326 176.803 176.870 0.432 0.000 1.018 281 L CA -0.889 54.045 54.840 0.157 0.000 0.811 281 L CB 1.671 43.732 42.059 0.005 0.000 1.271 281 L HN 0.458 nan 8.230 nan 0.000 0.443 282 I N 1.810 122.588 120.570 0.346 0.000 2.607 282 I HA 0.357 4.525 4.170 -0.003 0.000 0.290 282 I C -0.861 175.051 176.117 -0.342 0.000 1.129 282 I CA -0.478 60.863 61.300 0.069 0.000 1.042 282 I CB 2.299 40.377 38.000 0.131 0.000 1.242 282 I HN 0.626 nan 8.210 nan 0.000 0.421 283 R N 7.516 127.523 120.500 -0.821 0.000 2.778 283 R HA 0.752 5.090 4.340 -0.003 0.000 0.277 283 R C -1.729 174.027 176.300 -0.906 0.000 0.977 283 R CA -0.673 54.710 56.100 -1.195 0.000 0.950 283 R CB 1.810 30.971 30.300 -1.899 0.000 1.165 283 R HN 0.455 nan 8.270 nan 0.000 0.474 284 M N 2.484 121.417 119.600 -1.111 0.000 2.530 284 M HA 0.488 4.966 4.480 -0.003 0.000 0.307 284 M C -0.711 175.166 176.300 -0.706 0.000 1.161 284 M CA -0.723 53.957 55.300 -1.033 0.000 0.903 284 M CB 2.015 33.560 32.600 -1.757 0.000 1.711 284 M HN 0.720 nan 8.290 nan 0.000 0.451 285 R N 1.331 121.688 120.500 -0.238 0.000 2.750 285 R HA 0.509 4.848 4.340 -0.003 0.000 0.281 285 R C -1.124 175.371 176.300 0.325 0.000 0.972 285 R CA -0.567 55.550 56.100 0.028 0.000 0.912 285 R CB 1.617 31.902 30.300 -0.026 0.000 1.187 285 R HN 0.723 nan 8.270 nan 0.000 0.464 286 N N 3.924 122.884 118.700 0.434 0.000 2.462 286 N HA 0.260 4.998 4.740 -0.003 0.000 0.242 286 N C -2.010 173.584 175.510 0.139 0.000 1.010 286 N CA -2.048 51.182 53.050 0.301 0.000 0.939 286 N CB 1.676 40.406 38.487 0.405 0.000 1.127 286 N HN 0.338 nan 8.380 nan 0.000 0.509 287 P HA -0.171 nan 4.420 nan 0.000 0.218 287 P C 0.653 177.763 177.300 -0.315 0.000 1.150 287 P CA 1.343 64.295 63.100 -0.247 0.000 0.841 287 P CB 0.030 31.363 31.700 -0.612 0.000 0.784 288 W N -1.745 119.467 121.300 -0.147 0.000 2.800 288 W HA 0.184 4.843 4.660 -0.003 0.000 0.249 288 W C 1.594 178.098 176.519 -0.025 0.000 1.294 288 W CA 1.033 58.307 57.345 -0.118 0.000 1.402 288 W CB -0.969 28.373 29.460 -0.195 0.000 1.126 288 W HN 0.174 nan 8.180 nan 0.000 0.652 289 G N 0.514 109.416 108.800 0.171 0.000 2.225 289 G HA2 -0.308 3.651 3.960 -0.003 0.000 0.254 289 G HA3 -0.308 3.651 3.960 -0.003 0.000 0.254 289 G C 0.051 175.056 174.900 0.175 0.000 0.988 289 G CA 0.240 45.432 45.100 0.153 0.000 0.625 289 G HN 0.264 nan 8.290 nan 0.000 0.527 290 E N 0.131 120.454 120.200 0.204 0.000 2.383 290 E HA 0.478 4.826 4.350 -0.003 0.000 0.264 290 E C 1.631 178.353 176.600 0.204 0.000 1.050 290 E CA 0.250 56.756 56.400 0.178 0.000 0.896 290 E CB 1.418 31.213 29.700 0.160 0.000 0.982 290 E HN 0.599 nan 8.360 nan 0.000 0.424 291 V N 0.137 120.130 119.914 0.131 0.000 2.597 291 V HA 0.348 4.466 4.120 -0.003 0.000 0.220 291 V C 0.909 176.997 176.094 -0.010 0.000 1.134 291 V CA 0.661 63.010 62.300 0.081 0.000 1.159 291 V CB -1.504 30.340 31.823 0.036 0.000 0.788 291 V HN 0.806 nan 8.190 nan 0.000 0.502 292 E N -0.771 119.418 120.200 -0.018 0.000 2.386 292 E HA -0.239 4.109 4.350 -0.003 0.000 0.263 292 E C -0.356 176.238 176.600 -0.009 0.000 1.080 292 E CA 0.967 57.366 56.400 -0.002 0.000 0.761 292 E CB -2.335 27.400 29.700 0.058 0.000 1.311 292 E HN 1.249 nan 8.360 nan 0.000 0.396 293 W N 1.522 122.606 121.300 -0.359 0.000 2.563 293 W HA 0.544 5.203 4.660 -0.003 0.000 0.301 293 W C -0.390 175.995 176.519 -0.225 0.000 1.006 293 W CA -0.901 56.187 57.345 -0.428 0.000 1.382 293 W CB 0.685 29.577 29.460 -0.946 0.000 1.262 293 W HN 0.255 nan 8.180 nan 0.000 0.403 294 K N 2.926 122.998 120.400 -0.545 0.000 2.218 294 K HA 0.488 4.807 4.320 -0.003 0.000 0.276 294 K C 0.533 176.647 176.600 -0.810 0.000 1.022 294 K CA 0.289 56.283 56.287 -0.488 0.000 0.946 294 K CB 1.210 33.519 32.500 -0.319 0.000 1.000 294 K HN 0.678 nan 8.250 nan 0.000 0.468 295 G N 3.685 112.171 108.800 -0.522 0.000 3.116 295 G HA2 -0.149 3.810 3.960 -0.003 0.000 0.685 295 G HA3 -0.149 3.810 3.960 -0.003 0.000 0.685 295 G C -2.184 172.528 174.900 -0.313 0.000 1.327 295 G CA -0.884 43.972 45.100 -0.406 0.000 1.107 295 G HN 0.517 nan 8.290 nan 0.000 0.591 296 P HA 0.193 nan 4.420 nan 0.000 0.254 296 P C 0.487 178.071 177.300 0.474 0.000 1.620 296 P CA 0.437 63.530 63.100 -0.012 0.000 1.050 296 P CB 0.003 31.411 31.700 -0.486 0.000 1.539 297 W N 0.257 121.736 121.300 0.298 0.000 2.646 297 W HA 0.194 4.852 4.660 -0.003 0.000 0.162 297 W C -0.805 175.933 176.519 0.366 0.000 0.850 297 W CA 0.604 58.218 57.345 0.449 0.000 1.165 297 W CB -0.026 29.630 29.460 0.327 0.000 0.644 297 W HN -0.217 nan 8.180 nan 0.000 0.771 304 W N 3.415 124.625 121.300 -0.151 0.000 2.209 304 W HA -0.262 4.396 4.660 -0.003 0.000 0.302 304 W C 0.180 176.729 176.519 0.049 0.000 1.260 304 W CA 2.006 59.352 57.345 0.003 0.000 1.286 304 W CB -0.983 28.577 29.460 0.166 0.000 1.121 304 W HN 0.088 nan 8.180 nan 0.000 0.541 309 P HA -0.035 nan 4.420 nan 0.000 0.225 309 P C 0.896 178.267 177.300 0.118 0.000 1.156 309 P CA 0.702 63.784 63.100 -0.030 0.000 0.787 309 P CB 0.149 31.854 31.700 0.009 0.000 0.802 310 Y N -0.925 119.338 120.300 -0.062 0.000 2.457 310 Y HA 0.169 4.717 4.550 -0.003 0.000 0.263 310 Y C 1.875 177.744 175.900 -0.052 0.000 1.164 310 Y CA -0.187 57.884 58.100 -0.047 0.000 1.274 310 Y CB 0.514 38.955 38.460 -0.032 0.000 1.097 310 Y HN -0.015 nan 8.280 nan 0.000 0.523 311 E N 0.435 120.681 120.200 0.076 0.000 2.562 311 E HA 0.054 4.402 4.350 -0.003 0.000 0.214 311 E C 1.693 178.239 176.600 -0.089 0.000 0.979 311 E CA -0.054 56.346 56.400 0.001 0.000 1.002 311 E CB 0.443 30.155 29.700 0.021 0.000 1.048 311 E HN 0.227 nan 8.360 nan 0.000 0.488 312 R N -0.288 120.135 120.500 -0.127 0.000 2.394 312 R HA 0.122 4.460 4.340 -0.003 0.000 0.220 312 R C 0.585 176.795 176.300 -0.150 0.000 0.887 312 R CA 0.223 56.166 56.100 -0.262 0.000 1.034 312 R CB 0.357 30.404 30.300 -0.423 0.000 1.179 312 R HN -0.125 nan 8.270 nan 0.000 0.561 313 E N 1.102 121.270 120.200 -0.053 0.000 2.463 313 E HA -0.109 4.239 4.350 -0.003 0.000 0.201 313 E C 0.557 177.164 176.600 0.012 0.000 1.045 313 E CA 1.236 57.635 56.400 -0.002 0.000 0.872 313 E CB -0.077 29.634 29.700 0.017 0.000 0.797 313 E HN 0.531 nan 8.360 nan 0.000 0.538 314 Q N 0.974 120.760 119.800 -0.022 0.000 3.135 314 Q HA 0.380 4.718 4.340 -0.003 0.000 0.344 314 Q C 0.707 176.720 176.000 0.022 0.000 1.321 314 Q CA -0.081 55.725 55.803 0.004 0.000 1.050 314 Q CB -0.615 28.097 28.738 -0.043 0.000 1.498 314 Q HN 0.185 nan 8.270 nan 0.000 0.503 315 L N -3.865 117.440 121.223 0.136 0.000 2.658 315 L HA 0.422 4.760 4.340 -0.003 0.000 0.222 315 L C 2.105 179.178 176.870 0.339 0.000 1.033 315 L CA 1.105 56.126 54.840 0.303 0.000 0.949 315 L CB -1.185 41.111 42.059 0.395 0.000 1.698 315 L HN 0.386 nan 8.230 nan 0.000 0.498 316 R N 1.916 122.551 120.500 0.224 0.000 2.147 316 R HA 0.214 4.552 4.340 -0.003 0.000 0.225 316 R C 1.922 178.326 176.300 0.172 0.000 1.120 316 R CA 3.131 59.342 56.100 0.185 0.000 0.891 316 R CB -2.060 28.308 30.300 0.113 0.000 0.822 316 R HN 1.228 nan 8.270 nan 0.000 0.433 317 V N 0.170 120.167 119.914 0.139 0.000 5.561 317 V HA 0.200 4.319 4.120 -0.003 0.000 0.129 317 V C 1.497 177.654 176.094 0.105 0.000 0.738 317 V CA 2.903 65.272 62.300 0.115 0.000 0.530 317 V CB -3.077 28.829 31.823 0.138 0.000 0.142 317 V HN 2.159 nan 8.190 nan 0.000 0.323 318 K N 1.930 122.382 120.400 0.086 0.000 3.016 318 K HA -0.252 4.066 4.320 -0.003 0.000 0.262 318 K C 0.539 177.181 176.600 0.071 0.000 1.043 318 K CA 1.916 58.243 56.287 0.066 0.000 0.761 318 K CB -2.400 nan 32.500 nan 0.000 1.230 318 K HN 2.318 nan 8.250 nan 0.000 0.485 319 M N 2.585 122.248 119.600 0.105 0.000 3.139 319 M HA 0.030 4.508 4.480 -0.003 0.000 0.266 319 M C 0.511 176.853 176.300 0.071 0.000 1.598 319 M CA 0.188 55.553 55.300 0.108 0.000 1.645 319 M CB -0.030 32.678 32.600 0.181 0.000 1.395 319 M HN 0.500 nan 8.290 nan 0.000 0.504 320 E N 1.761 121.984 120.200 0.038 0.000 2.665 320 E HA -0.102 4.247 4.350 -0.003 0.000 0.272 320 E C -0.205 176.420 176.600 0.043 0.000 1.429 320 E CA 0.527 56.946 56.400 0.031 0.000 1.219 320 E CB 0.247 29.951 29.700 0.006 0.000 0.952 320 E HN 0.578 nan 8.360 nan 0.000 0.556 321 D N -0.963 119.461 120.400 0.040 0.000 2.354 321 D HA 0.103 4.741 4.640 -0.003 0.000 0.238 321 D C 0.339 176.687 176.300 0.079 0.000 1.250 321 D CA 0.934 54.968 54.000 0.057 0.000 0.911 321 D CB 0.152 40.981 40.800 0.049 0.000 1.163 321 D HN 0.521 nan 8.370 nan 0.000 0.456 322 G N 1.612 110.480 108.800 0.113 0.000 1.980 322 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.241 322 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.241 322 G C -0.052 174.973 174.900 0.208 0.000 0.728 322 G CA 0.443 45.651 45.100 0.179 0.000 0.968 322 G HN 0.249 nan 8.290 nan 0.000 0.377 323 E N -0.334 119.943 120.200 0.128 0.000 2.331 323 E HA 0.610 4.958 4.350 -0.003 0.000 0.272 323 E C 0.232 176.925 176.600 0.155 0.000 1.036 323 E CA -0.422 55.998 56.400 0.032 0.000 0.864 323 E CB 1.058 30.742 29.700 -0.026 0.000 1.035 323 E HN 0.531 nan 8.360 nan 0.000 0.408 324 F N -0.526 119.362 119.950 -0.103 0.000 2.650 324 F HA 0.524 5.049 4.527 -0.003 0.000 0.310 324 F C -1.686 174.059 175.800 -0.092 0.000 1.112 324 F CA -1.440 56.542 58.000 -0.030 0.000 0.986 324 F CB 0.582 39.628 39.000 0.076 0.000 1.285 324 F HN 0.246 nan 8.300 nan 0.000 0.440 325 W N 5.155 126.578 121.300 0.205 0.000 2.438 325 W HA 0.772 5.430 4.660 -0.003 0.000 0.324 325 W C -0.171 176.523 176.519 0.293 0.000 1.119 325 W CA -0.556 56.854 57.345 0.109 0.000 1.221 325 W CB 1.971 31.500 29.460 0.114 0.000 1.253 325 W HN 0.826 nan 8.180 nan 0.000 0.555 326 M N 0.839 120.635 119.600 0.326 0.000 2.721 326 M HA 0.524 5.002 4.480 -0.003 0.000 0.271 326 M C -0.481 175.920 176.300 0.168 0.000 1.259 326 M CA -1.008 54.481 55.300 0.315 0.000 0.835 326 M CB 1.788 34.414 32.600 0.043 0.000 1.689 326 M HN 0.119 nan 8.290 nan 0.000 0.470 327 S N 0.563 116.417 115.700 0.257 0.000 2.533 327 S HA 0.169 4.637 4.470 -0.003 0.000 0.282 327 S C 0.555 175.234 174.600 0.132 0.000 1.304 327 S CA -0.429 57.875 58.200 0.173 0.000 1.063 327 S CB 0.066 63.419 63.200 0.254 0.000 0.881 327 S HN 0.720 nan 8.310 nan 0.000 0.493 328 F N 5.136 125.087 119.950 0.002 0.000 2.225 328 F HA -0.047 4.479 4.527 -0.003 0.000 0.302 328 F C 1.562 177.365 175.800 0.005 0.000 1.068 328 F CA 1.372 59.420 58.000 0.080 0.000 1.327 328 F CB -0.072 38.947 39.000 0.032 0.000 1.043 328 F HN 0.616 nan 8.300 nan 0.000 0.506 329 R N 1.347 121.681 120.500 -0.276 0.000 4.980 329 R HA 0.021 4.359 4.340 -0.003 0.000 0.190 329 R C 0.277 176.199 176.300 -0.629 0.000 2.095 329 R CA 0.662 56.239 56.100 -0.872 0.000 1.717 329 R CB -1.249 28.814 30.300 -0.396 0.000 1.337 329 R HN 0.467 nan 8.270 nan 0.000 0.820 330 D N -1.931 118.213 120.400 -0.427 0.000 2.501 330 D HA -0.062 4.576 4.640 -0.003 0.000 0.224 330 D C 0.412 176.741 176.300 0.049 0.000 1.202 330 D CA -0.290 53.630 54.000 -0.134 0.000 0.829 330 D CB -0.436 40.322 40.800 -0.070 0.000 1.023 330 D HN 0.338 nan 8.370 nan 0.000 0.499 331 F N -0.001 119.793 119.950 -0.260 0.000 2.664 331 F HA 0.135 4.660 4.527 -0.003 0.000 0.297 331 F C 1.486 177.242 175.800 -0.073 0.000 1.164 331 F CA -0.187 57.705 58.000 -0.181 0.000 1.472 331 F CB -0.392 38.486 39.000 -0.203 0.000 1.108 331 F HN 0.011 nan 8.300 nan 0.000 0.596 332 I N -0.143 120.486 120.570 0.099 0.000 2.499 332 I HA -0.033 4.135 4.170 -0.003 0.000 0.243 332 I C 1.540 177.708 176.117 0.086 0.000 1.085 332 I CA 0.095 61.437 61.300 0.071 0.000 1.422 332 I CB -0.002 38.002 38.000 0.006 0.000 1.165 332 I HN -0.073 nan 8.210 nan 0.000 0.440 333 R N 2.251 122.785 120.500 0.058 0.000 2.490 333 R HA 0.125 4.463 4.340 -0.003 0.000 0.280 333 R C -0.836 175.505 176.300 0.067 0.000 1.077 333 R CA -0.097 56.040 56.100 0.061 0.000 1.065 333 R CB 0.463 30.782 30.300 0.032 0.000 1.003 333 R HN 0.175 nan 8.270 nan 0.000 0.470 334 E N 1.326 121.589 120.200 0.105 0.000 7.670 334 E HA -0.294 4.054 4.350 -0.003 0.000 0.463 334 E C -0.815 175.884 176.600 0.165 0.000 0.435 334 E CA 0.981 57.468 56.400 0.144 0.000 0.770 334 E CB -0.412 29.349 29.700 0.102 0.000 0.972 334 E HN 0.712 nan 8.360 nan 0.000 0.272 335 F N 1.442 121.444 119.950 0.087 0.000 2.619 335 F HA 0.292 4.818 4.527 -0.002 0.000 0.281 335 F C 0.754 176.622 175.800 0.114 0.000 1.065 335 F CA 1.211 59.264 58.000 0.088 0.000 1.304 335 F CB 1.046 40.081 39.000 0.060 0.000 1.059 335 F HN 0.389 nan 8.300 nan 0.000 0.648 336 T N 1.391 115.849 114.554 -0.160 0.000 2.893 336 T HA 0.383 4.731 4.350 -0.003 0.000 0.291 336 T C -1.657 173.051 174.700 0.014 0.000 1.028 336 T CA -0.683 61.260 62.100 -0.261 0.000 0.995 336 T CB 1.471 70.350 68.868 0.018 0.000 1.051 336 T HN 0.182 nan 8.240 nan 0.000 0.470 337 K N 2.787 123.230 120.400 0.072 0.000 2.471 337 K HA 0.764 5.082 4.320 -0.003 0.000 0.252 337 K C -1.736 174.971 176.600 0.179 0.000 0.938 337 K CA -0.677 55.684 56.287 0.124 0.000 0.796 337 K CB 1.242 33.815 32.500 0.121 0.000 1.161 337 K HN 0.661 nan 8.250 nan 0.000 0.425 338 L N 3.082 124.398 121.223 0.155 0.000 2.439 338 L HA 0.580 4.918 4.340 -0.003 0.000 0.270 338 L C -0.491 176.426 176.870 0.079 0.000 0.972 338 L CA -0.952 53.980 54.840 0.155 0.000 0.836 338 L CB 1.469 43.636 42.059 0.179 0.000 1.255 338 L HN 0.767 nan 8.230 nan 0.000 0.404 339 E N 4.023 124.240 120.200 0.028 0.000 2.179 339 E HA 0.645 4.993 4.350 -0.003 0.000 0.275 339 E C -1.301 175.216 176.600 -0.138 0.000 0.945 339 E CA -0.829 55.533 56.400 -0.064 0.000 0.792 339 E CB 2.669 32.352 29.700 -0.028 0.000 1.125 339 E HN 0.487 nan 8.360 nan 0.000 0.397 340 I N 2.573 123.005 120.570 -0.229 0.000 2.304 340 I HA 0.119 4.288 4.170 -0.003 0.000 0.291 340 I C -0.089 175.907 176.117 -0.201 0.000 1.018 340 I CA -0.881 60.269 61.300 -0.251 0.000 1.260 340 I CB 0.689 38.492 38.000 -0.329 0.000 1.390 340 I HN 0.555 nan 8.210 nan 0.000 0.475 341 C N 6.763 125.911 119.300 -0.252 0.000 2.514 341 C HA 0.252 4.711 4.460 -0.003 0.000 0.392 341 C C 0.818 175.745 174.990 -0.105 0.000 1.294 341 C CA -0.717 58.202 59.018 -0.164 0.000 1.957 341 C CB -0.585 26.839 27.740 -0.527 0.000 2.541 341 C HN 0.618 nan 8.230 nan 0.000 0.569 342 N N 2.325 121.094 118.700 0.116 0.000 2.513 342 N HA 0.464 5.202 4.740 -0.003 0.000 0.274 342 N C -0.501 175.192 175.510 0.305 0.000 1.189 342 N CA -0.472 52.673 53.050 0.159 0.000 0.975 342 N CB 0.455 39.019 38.487 0.128 0.000 1.157 342 N HN 0.336 nan 8.380 nan 0.000 0.465 343 L N 0.028 121.397 121.223 0.243 0.000 2.417 343 L HA 0.242 4.580 4.340 -0.003 0.000 0.268 343 L C 2.113 179.078 176.870 0.157 0.000 1.158 343 L CA -0.298 54.660 54.840 0.197 0.000 0.819 343 L CB -0.510 41.649 42.059 0.167 0.000 1.112 343 L HN 0.704 nan 8.230 nan 0.000 0.458 344 T N -1.466 113.162 114.554 0.122 0.000 2.822 344 T HA -0.098 4.250 4.350 -0.003 0.000 0.270 344 T C -0.463 174.285 174.700 0.079 0.000 1.064 344 T CA 1.151 63.309 62.100 0.098 0.000 1.131 344 T CB -1.387 67.524 68.868 0.072 0.000 0.858 344 T HN 0.691 nan 8.240 nan 0.000 0.483 345 P HA -0.068 nan 4.420 nan 0.000 0.215 345 P C 1.095 178.433 177.300 0.062 0.000 1.153 345 P CA 1.506 64.648 63.100 0.071 0.000 0.853 345 P CB -0.194 31.561 31.700 0.092 0.000 0.788 346 D N 0.292 120.733 120.400 0.068 0.000 2.435 346 D HA -0.200 4.439 4.640 -0.003 0.000 0.206 346 D C 2.022 178.348 176.300 0.042 0.000 1.055 346 D CA 2.538 56.568 54.000 0.050 0.000 0.908 346 D CB -0.807 40.035 40.800 0.071 0.000 1.151 346 D HN 0.127 nan 8.370 nan 0.000 0.479 347 A N -0.947 121.900 122.820 0.044 0.000 2.014 347 A HA 0.223 4.541 4.320 -0.003 0.000 0.210 347 A C 1.351 178.949 177.584 0.023 0.000 1.188 347 A CA 0.174 52.227 52.037 0.028 0.000 0.731 347 A CB 0.038 19.053 19.000 0.025 0.000 0.858 347 A HN 0.440 nan 8.150 nan 0.000 0.464 348 L N -0.911 120.330 121.223 0.030 0.000 3.858 348 L HA -0.224 4.115 4.340 -0.003 0.000 0.425 348 L C 0.581 177.456 176.870 0.008 0.000 1.177 348 L CA 1.014 55.866 54.840 0.019 0.000 0.943 348 L CB -1.367 40.699 42.059 0.011 0.000 1.861 348 L HN 0.653 nan 8.230 nan 0.000 0.985 349 K N 0.584 120.988 120.400 0.007 0.000 2.230 349 K HA 0.190 4.508 4.320 -0.003 0.000 0.253 349 K C 0.875 177.472 176.600 -0.005 0.000 1.008 349 K CA 0.536 56.822 56.287 -0.002 0.000 0.910 349 K CB 0.847 33.343 32.500 -0.005 0.000 0.994 349 K HN 0.309 nan 8.250 nan 0.000 0.495 350 S N 1.120 116.814 115.700 -0.009 0.000 2.596 350 S HA 0.464 4.932 4.470 -0.003 0.000 0.260 350 S C 0.104 174.697 174.600 -0.013 0.000 1.336 350 S CA 0.271 58.464 58.200 -0.011 0.000 0.993 350 S CB 0.633 63.825 63.200 -0.013 0.000 0.923 350 S HN 1.189 nan 8.310 nan 0.000 0.567 355 N N 0.481 119.119 118.700 -0.104 0.000 2.238 355 N HA 0.615 5.353 4.740 -0.003 0.000 0.302 355 N C -0.946 174.522 175.510 -0.070 0.000 1.072 355 N CA -0.659 52.371 53.050 -0.032 0.000 0.792 355 N CB 1.196 39.695 38.487 0.019 0.000 1.425 355 N HN 0.653 nan 8.380 nan 0.000 0.478 356 W N 0.494 121.811 121.300 0.029 0.000 2.086 356 W HA 0.289 4.947 4.660 -0.003 0.000 0.355 356 W C 0.410 176.901 176.519 -0.048 0.000 1.313 356 W CA -0.214 57.146 57.345 0.026 0.000 1.358 356 W CB 0.387 29.895 29.460 0.081 0.000 1.166 356 W HN 0.342 nan 8.180 nan 0.000 0.630 357 N N 0.649 119.515 118.700 0.277 0.000 2.422 357 N HA 0.317 5.056 4.740 -0.003 0.000 0.266 357 N C -0.247 175.230 175.510 -0.056 0.000 1.007 357 N CA -0.433 52.667 53.050 0.084 0.000 0.941 357 N CB 1.067 39.612 38.487 0.096 0.000 1.115 357 N HN 0.290 nan 8.380 nan 0.000 0.492 358 T N -0.620 113.836 114.554 -0.164 0.000 2.949 358 T HA 0.817 5.165 4.350 -0.003 0.000 0.287 358 T C -0.315 174.336 174.700 -0.081 0.000 1.034 358 T CA -0.562 61.356 62.100 -0.303 0.000 1.018 358 T CB 1.639 70.242 68.868 -0.441 0.000 1.135 358 T HN 0.464 nan 8.240 nan 0.000 0.532 359 T N -0.042 114.495 114.554 -0.028 0.000 3.003 359 T HA 0.547 4.896 4.350 -0.003 0.000 0.354 359 T C -1.281 173.408 174.700 -0.019 0.000 1.651 359 T CA -1.077 60.979 62.100 -0.073 0.000 1.103 359 T CB 0.657 69.439 68.868 -0.145 0.000 1.450 359 T HN 1.135 nan 8.240 nan 0.000 0.484 360 F N -0.331 119.391 119.950 -0.380 0.000 2.565 360 F HA 0.865 5.390 4.527 -0.003 0.000 0.313 360 F C -1.849 173.512 175.800 -0.732 0.000 1.091 360 F CA -1.672 56.077 58.000 -0.420 0.000 0.915 360 F CB 1.200 40.150 39.000 -0.082 0.000 1.208 360 F HN 0.674 nan 8.300 nan 0.000 0.453 361 Y N 0.708 121.035 120.300 0.046 0.000 2.429 361 Y HA 0.447 4.995 4.550 -0.003 0.000 0.342 361 Y C -0.126 175.777 175.900 0.005 0.000 1.004 361 Y CA -1.072 57.023 58.100 -0.008 0.000 1.075 361 Y CB 1.780 40.254 38.460 0.022 0.000 1.214 361 Y HN 0.570 nan 8.280 nan 0.000 0.455 362 E N 1.886 122.158 120.200 0.119 0.000 2.146 362 E HA 0.505 4.854 4.350 -0.003 0.000 0.282 362 E C -0.249 176.154 176.600 -0.329 0.000 0.989 362 E CA -0.406 55.918 56.400 -0.127 0.000 0.799 362 E CB 1.608 31.273 29.700 -0.057 0.000 1.088 362 E HN 0.921 nan 8.360 nan 0.000 0.397 363 G N 1.220 109.369 108.800 -1.085 0.000 2.949 363 G HA2 0.572 4.530 3.960 -0.003 0.000 0.285 363 G HA3 0.572 4.530 3.960 -0.003 0.000 0.285 363 G C -0.797 173.372 174.900 -1.219 0.000 1.395 363 G CA -0.464 43.996 45.100 -1.067 0.000 0.901 363 G HN 0.403 nan 8.290 nan 0.000 0.519 364 T N -2.494 111.679 114.554 -0.634 0.000 2.906 364 T HA 0.587 4.935 4.350 -0.003 0.000 0.295 364 T C -1.518 173.119 174.700 -0.105 0.000 1.075 364 T CA -0.679 61.214 62.100 -0.345 0.000 1.005 364 T CB 1.995 70.774 68.868 -0.149 0.000 1.136 364 T HN 0.477 nan 8.240 nan 0.000 0.498 365 W N 3.437 124.837 121.300 0.167 0.000 2.374 365 W HA 0.395 5.053 4.660 -0.003 0.000 0.302 365 W C -0.037 176.531 176.519 0.082 0.000 0.942 365 W CA -0.970 56.465 57.345 0.150 0.000 1.666 365 W CB 0.403 29.972 29.460 0.182 0.000 1.593 365 W HN 0.454 nan 8.180 nan 0.000 0.412 366 R N 0.940 121.578 120.500 0.230 0.000 2.340 366 R HA 0.286 4.624 4.340 -0.003 0.000 0.300 366 R C 0.849 177.203 176.300 0.089 0.000 1.069 366 R CA -0.538 55.633 56.100 0.118 0.000 0.984 366 R CB 0.060 30.376 30.300 0.027 0.000 1.003 366 R HN 0.384 nan 8.270 nan 0.000 0.459 367 R N 1.403 121.932 120.500 0.050 0.000 2.763 367 R HA 0.141 4.479 4.340 -0.003 0.000 0.348 367 R C 1.321 177.488 176.300 -0.222 0.000 0.826 367 R CA 0.959 57.050 56.100 -0.014 0.000 1.109 367 R CB -1.732 28.572 30.300 0.007 0.000 0.889 367 R HN 0.928 nan 8.270 nan 0.000 0.402 368 G N 0.347 108.788 108.800 -0.598 0.000 2.179 368 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.260 368 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.260 368 G C 1.016 175.488 174.900 -0.714 0.000 0.977 368 G CA 1.415 45.707 45.100 -1.348 0.000 0.641 368 G HN 2.133 nan 8.290 nan 0.000 0.533 369 S N -2.181 113.368 115.700 -0.252 0.000 3.472 369 S HA 0.255 4.723 4.470 -0.003 0.000 0.247 369 S C 1.815 176.443 174.600 0.047 0.000 1.084 369 S CA 1.527 59.698 58.200 -0.048 0.000 0.795 369 S CB 0.075 63.260 63.200 -0.025 0.000 0.892 369 S HN 1.272 nan 8.310 nan 0.000 0.513 370 T N -0.731 113.897 114.554 0.123 0.000 2.975 370 T HA 0.580 4.929 4.350 -0.003 0.000 0.261 370 T C 0.604 175.482 174.700 0.295 0.000 0.984 370 T CA 0.397 62.606 62.100 0.182 0.000 0.911 370 T CB 0.305 69.286 68.868 0.188 0.000 1.127 370 T HN 0.641 nan 8.240 nan 0.000 0.514 371 A N 1.175 124.179 122.820 0.305 0.000 2.922 371 A HA 0.696 5.014 4.320 -0.003 0.000 0.298 371 A C 1.238 178.888 177.584 0.110 0.000 1.588 371 A CA -0.230 51.952 52.037 0.240 0.000 1.288 371 A CB -0.794 18.344 19.000 0.230 0.000 1.130 371 A HN 0.567 nan 8.150 nan 0.000 0.557 372 G N 0.361 109.146 108.800 -0.025 0.000 3.441 372 G HA2 0.540 4.498 3.960 -0.003 0.000 0.263 372 G HA3 0.540 4.498 3.960 -0.003 0.000 0.263 372 G C 0.635 175.427 174.900 -0.180 0.000 1.014 372 G CA 0.526 45.507 45.100 -0.198 0.000 0.833 372 G HN 1.820 nan 8.290 nan 0.000 0.514 373 G N -1.172 107.531 108.800 -0.162 0.000 2.434 373 G HA2 0.220 4.178 3.960 -0.003 0.000 0.671 373 G HA3 0.220 4.178 3.960 -0.003 0.000 0.671 373 G C 0.261 175.204 174.900 0.072 0.000 1.280 373 G CA -0.189 44.793 45.100 -0.196 0.000 0.975 373 G HN 1.242 nan 8.290 nan 0.000 0.510 374 C N -1.152 118.185 119.300 0.062 0.000 2.536 374 C HA 0.807 5.265 4.460 -0.003 0.000 0.385 374 C C 2.293 176.922 174.990 -0.601 0.000 2.253 374 C CA 0.430 59.497 59.018 0.081 0.000 1.823 374 C CB 0.209 27.926 27.740 -0.038 0.000 2.000 374 C HN 1.148 nan 8.230 nan 0.000 0.444 375 R N 1.426 121.271 120.500 -1.091 0.000 2.189 375 R HA -0.229 4.109 4.340 -0.003 0.000 0.252 375 R C 1.309 177.230 176.300 -0.632 0.000 1.134 375 R CA 2.566 58.032 56.100 -1.058 0.000 0.954 375 R CB -1.269 28.738 30.300 -0.489 0.000 0.890 375 R HN 0.817 nan 8.270 nan 0.000 0.443 376 N N -0.277 118.093 118.700 -0.550 0.000 2.626 376 N HA -0.076 4.662 4.740 -0.003 0.000 0.193 376 N C -0.544 174.546 175.510 -0.699 0.000 1.213 376 N CA 0.743 53.429 53.050 -0.606 0.000 0.914 376 N CB -0.003 38.029 38.487 -0.757 0.000 0.994 376 N HN 0.367 nan 8.380 nan 0.000 0.447 377 Y N -1.080 119.047 120.300 -0.287 0.000 2.513 377 Y HA 0.314 4.862 4.550 -0.003 0.000 0.341 377 Y C -2.000 173.850 175.900 -0.084 0.000 1.075 377 Y CA -2.017 55.977 58.100 -0.177 0.000 1.190 377 Y CB 1.748 40.095 38.460 -0.188 0.000 1.111 377 Y HN -0.022 nan 8.280 nan 0.000 0.644 378 P HA -0.029 nan 4.420 nan 0.000 0.239 378 P C 1.055 178.475 177.300 0.201 0.000 1.184 378 P CA 0.953 64.117 63.100 0.107 0.000 0.760 378 P CB 0.387 32.115 31.700 0.045 0.000 0.884 379 A N -0.452 122.467 122.820 0.166 0.000 2.085 379 A HA 0.081 4.399 4.320 -0.003 0.000 0.208 379 A C 1.768 179.488 177.584 0.227 0.000 1.191 379 A CA 1.435 53.580 52.037 0.178 0.000 0.799 379 A CB -0.710 18.342 19.000 0.086 0.000 0.877 379 A HN 0.280 nan 8.150 nan 0.000 0.473 380 T N -4.764 109.831 114.554 0.069 0.000 3.043 380 T HA 0.163 4.511 4.350 -0.003 0.000 0.272 380 T C 1.248 175.872 174.700 -0.127 0.000 0.990 380 T CA 0.258 62.238 62.100 -0.200 0.000 0.897 380 T CB -0.403 68.149 68.868 -0.527 0.000 1.111 380 T HN 0.110 nan 8.240 nan 0.000 0.529 381 F N 3.475 123.377 119.950 -0.080 0.000 2.095 381 F HA -0.069 4.456 4.527 -0.003 0.000 0.298 381 F C 2.210 177.891 175.800 -0.197 0.000 1.104 381 F CA 1.670 59.589 58.000 -0.136 0.000 1.232 381 F CB -0.514 38.420 39.000 -0.110 0.000 0.987 381 F HN 0.446 nan 8.300 nan 0.000 0.475 382 W N 0.073 121.318 121.300 -0.093 0.000 2.321 382 W HA -0.206 4.452 4.660 -0.003 0.000 0.285 382 W C 1.612 178.157 176.519 0.043 0.000 1.213 382 W CA 1.380 58.644 57.345 -0.134 0.000 1.205 382 W CB -1.746 27.843 29.460 0.215 0.000 1.134 382 W HN -0.026 nan 8.180 nan 0.000 0.549 383 V N 2.336 121.874 119.914 -0.627 0.000 2.667 383 V HA -0.192 3.927 4.120 -0.003 0.000 0.252 383 V C 1.455 177.504 176.094 -0.074 0.000 1.065 383 V CA 0.949 62.892 62.300 -0.595 0.000 1.083 383 V CB -0.983 30.443 31.823 -0.662 0.000 0.692 383 V HN 0.083 nan 8.190 nan 0.000 0.468 384 N N 1.183 119.867 118.700 -0.027 0.000 2.226 384 N HA -0.017 4.721 4.740 -0.003 0.000 0.232 384 N C -2.448 173.202 175.510 0.233 0.000 1.255 384 N CA -0.214 52.937 53.050 0.168 0.000 0.855 384 N CB -0.061 38.526 38.487 0.167 0.000 1.095 384 N HN 0.219 nan 8.380 nan 0.000 0.444 385 P HA 0.158 nan 4.420 nan 0.000 0.280 385 P C -0.781 176.597 177.300 0.130 0.000 1.244 385 P CA 0.012 63.257 63.100 0.241 0.000 0.784 385 P CB 0.703 32.609 31.700 0.343 0.000 0.913 386 Q N 2.051 121.747 119.800 -0.173 0.000 2.266 386 Q HA 0.643 4.982 4.340 -0.003 0.000 0.261 386 Q C -0.858 174.779 176.000 -0.605 0.000 0.985 386 Q CA -0.451 55.214 55.803 -0.230 0.000 0.873 386 Q CB 1.456 30.041 28.738 -0.255 0.000 1.306 386 Q HN 0.372 nan 8.270 nan 0.000 0.447 387 F N 0.474 120.467 119.950 0.072 0.000 2.588 387 F HA 0.495 5.021 4.527 -0.003 0.000 0.314 387 F C -0.165 175.699 175.800 0.107 0.000 1.069 387 F CA -1.103 56.948 58.000 0.085 0.000 0.931 387 F CB 1.817 40.971 39.000 0.258 0.000 1.260 387 F HN 0.359 nan 8.300 nan 0.000 0.465 388 K N 1.116 121.616 120.400 0.167 0.000 2.385 388 K HA 0.885 5.204 4.320 -0.003 0.000 0.248 388 K C -1.770 174.787 176.600 -0.073 0.000 0.955 388 K CA -0.851 55.483 56.287 0.078 0.000 0.816 388 K CB 2.460 34.956 32.500 -0.006 0.000 1.250 388 K HN 0.450 nan 8.250 nan 0.000 0.434 389 I N 0.648 121.138 120.570 -0.133 0.000 2.509 389 I HA 0.421 4.590 4.170 -0.003 0.000 0.293 389 I C -0.538 175.502 176.117 -0.128 0.000 1.020 389 I CA -0.854 60.239 61.300 -0.346 0.000 1.088 389 I CB 1.817 39.481 38.000 -0.560 0.000 1.267 389 I HN 0.634 nan 8.210 nan 0.000 0.430 390 R N 5.292 125.704 120.500 -0.148 0.000 2.255 390 R HA 0.713 5.052 4.340 -0.003 0.000 0.326 390 R C -1.599 174.662 176.300 -0.066 0.000 0.986 390 R CA -0.275 55.782 56.100 -0.071 0.000 0.847 390 R CB 0.676 30.939 30.300 -0.062 0.000 1.111 390 R HN 0.717 nan 8.270 nan 0.000 0.452 391 L N 5.268 126.497 121.223 0.011 0.000 2.318 391 L HA 0.347 4.686 4.340 -0.003 0.000 0.277 391 L C 0.418 177.310 176.870 0.038 0.000 1.008 391 L CA -0.364 54.482 54.840 0.010 0.000 0.846 391 L CB 1.727 43.814 42.059 0.046 0.000 1.220 391 L HN 0.805 nan 8.230 nan 0.000 0.423 392 E N 1.862 122.068 120.200 0.010 0.000 2.045 392 E HA 0.061 4.410 4.350 -0.003 0.000 0.195 392 E C 0.075 176.689 176.600 0.023 0.000 0.953 392 E CA -0.146 56.263 56.400 0.015 0.000 0.859 392 E CB 0.209 29.910 29.700 0.002 0.000 0.854 392 E HN 0.586 nan 8.360 nan 0.000 0.471 393 E N 1.166 121.376 120.200 0.016 0.000 2.470 393 E HA 0.111 4.459 4.350 -0.003 0.000 0.258 393 E C -0.313 176.307 176.600 0.032 0.000 1.295 393 E CA 0.041 56.454 56.400 0.020 0.000 1.032 393 E CB 0.613 30.320 29.700 0.013 0.000 0.980 393 E HN 0.040 nan 8.360 nan 0.000 0.500 394 V N -2.372 117.560 119.914 0.030 0.000 3.159 394 V HA 0.254 4.372 4.120 -0.003 0.000 0.308 394 V C -0.887 175.222 176.094 0.026 0.000 1.190 394 V CA -1.310 61.013 62.300 0.038 0.000 1.037 394 V CB 1.970 33.818 31.823 0.041 0.000 1.060 394 V HN 0.454 nan 8.190 nan 0.000 0.437 395 D N 1.807 122.224 120.400 0.029 0.000 2.382 395 D HA 0.098 4.736 4.640 -0.003 0.000 0.259 395 D C -0.117 176.183 176.300 0.000 0.000 1.224 395 D CA 0.554 54.561 54.000 0.013 0.000 0.894 395 D CB 0.554 41.363 40.800 0.014 0.000 1.127 395 D HN 0.771 nan 8.370 nan 0.000 0.487 396 D N 1.303 121.694 120.400 -0.014 0.000 3.306 396 D HA -0.129 4.509 4.640 -0.003 0.000 0.194 396 D C -0.881 175.416 176.300 -0.005 0.000 1.231 396 D CA 0.807 54.795 54.000 -0.020 0.000 0.840 396 D CB -0.326 40.452 40.800 -0.037 0.000 0.851 396 D HN 0.525 nan 8.370 nan 0.000 0.406 397 A N 2.511 125.335 122.820 0.007 0.000 2.491 397 A HA 0.387 4.705 4.320 -0.003 0.000 0.293 397 A C 0.307 177.902 177.584 0.019 0.000 1.047 397 A CA -0.703 51.347 52.037 0.021 0.000 0.735 397 A CB 1.207 20.226 19.000 0.031 0.000 1.281 397 A HN 0.132 nan 8.150 nan 0.000 0.398 398 D N 1.290 121.703 120.400 0.022 0.000 2.594 398 D HA 0.024 4.663 4.640 -0.003 0.000 0.258 398 D C -0.495 175.834 176.300 0.049 0.000 1.332 398 D CA 1.659 55.679 54.000 0.033 0.000 1.022 398 D CB 0.040 40.855 40.800 0.025 0.000 1.055 398 D HN 0.408 nan 8.370 nan 0.000 0.472 399 D N -1.235 119.199 120.400 0.056 0.000 2.891 399 D HA 0.021 4.660 4.640 -0.003 0.000 0.224 399 D C 0.205 176.570 176.300 0.108 0.000 1.321 399 D CA -0.683 53.376 54.000 0.099 0.000 0.929 399 D CB 0.697 41.537 40.800 0.066 0.000 1.551 399 D HN 0.084 nan 8.370 nan 0.000 0.574 400 Y N 2.095 122.398 120.300 0.005 0.000 2.374 400 Y HA 0.014 4.563 4.550 -0.003 0.000 0.276 400 Y C 0.871 176.776 175.900 0.009 0.000 0.679 400 Y CA 0.675 58.780 58.100 0.008 0.000 1.141 400 Y CB -0.251 38.214 38.460 0.008 0.000 1.048 400 Y HN 0.375 nan 8.280 nan 0.000 0.738 401 D N -1.208 119.197 120.400 0.009 0.000 4.556 401 D HA -0.235 4.404 4.640 -0.003 0.000 0.303 401 D C -0.377 175.923 176.300 0.001 0.000 2.368 401 D CA 1.260 55.186 54.000 -0.124 0.000 1.145 401 D CB -0.931 39.597 40.800 -0.453 0.000 1.097 401 D HN 0.985 nan 8.370 nan 0.000 1.280 402 S N -0.732 114.958 115.700 -0.017 0.000 2.669 402 S HA 0.760 5.228 4.470 -0.003 0.000 0.270 402 S C 0.963 175.569 174.600 0.010 0.000 1.225 402 S CA 1.333 59.543 58.200 0.016 0.000 0.991 402 S CB 1.363 64.575 63.200 0.021 0.000 0.987 402 S HN 1.407 nan 8.310 nan 0.000 0.552 403 R N 0.675 121.190 120.500 0.025 0.000 2.307 403 R HA 0.287 4.625 4.340 -0.003 0.000 0.210 403 R C 0.181 176.502 176.300 0.035 0.000 0.725 403 R CA 0.688 56.804 56.100 0.026 0.000 0.711 403 R CB -2.629 27.682 30.300 0.018 0.000 1.444 403 R HN 1.099 nan 8.270 nan 0.000 0.529 404 E N -0.685 119.540 120.200 0.042 0.000 3.611 404 E HA -0.144 4.204 4.350 -0.003 0.000 0.238 404 E C -0.479 176.152 176.600 0.052 0.000 1.468 404 E CA 1.558 57.987 56.400 0.048 0.000 2.235 404 E CB -1.374 28.355 29.700 0.048 0.000 2.090 404 E HN 1.515 nan 8.360 nan 0.000 0.483 405 S N -0.447 115.287 115.700 0.056 0.000 2.653 405 S HA 0.672 5.140 4.470 -0.003 0.000 0.268 405 S C -0.251 174.389 174.600 0.065 0.000 1.153 405 S CA -0.389 57.846 58.200 0.058 0.000 1.036 405 S CB 1.991 65.226 63.200 0.057 0.000 1.103 405 S HN 0.913 nan 8.310 nan 0.000 0.466 406 G N 0.772 109.611 108.800 0.065 0.000 2.746 406 G HA2 0.606 4.564 3.960 -0.003 0.000 0.297 406 G HA3 0.606 4.564 3.960 -0.003 0.000 0.297 406 G C -0.959 173.988 174.900 0.078 0.000 1.426 406 G CA -0.570 44.574 45.100 0.074 0.000 0.989 406 G HN 0.874 nan 8.290 nan 0.000 0.520 407 C N 0.115 119.472 119.300 0.095 0.000 2.561 407 C HA 0.879 5.337 4.460 -0.003 0.000 0.319 407 C C 0.353 175.445 174.990 0.170 0.000 1.198 407 C CA -0.792 58.289 59.018 0.106 0.000 1.665 407 C CB 1.420 29.207 27.740 0.078 0.000 2.258 407 C HN 0.655 nan 8.230 nan 0.000 0.493 408 S N 1.361 117.197 115.700 0.226 0.000 2.659 408 S HA 0.788 5.257 4.470 -0.003 0.000 0.312 408 S C -0.754 174.132 174.600 0.477 0.000 1.114 408 S CA -0.423 57.955 58.200 0.297 0.000 1.063 408 S CB 0.478 63.801 63.200 0.205 0.000 0.996 408 S HN 0.681 nan 8.310 nan 0.000 0.478 409 F N 1.196 121.235 119.950 0.149 0.000 2.613 409 F HA 0.804 5.330 4.527 -0.003 0.000 0.314 409 F C -1.715 174.166 175.800 0.136 0.000 1.075 409 F CA -1.600 56.518 58.000 0.196 0.000 0.945 409 F CB 0.690 39.813 39.000 0.204 0.000 1.310 409 F HN 0.168 nan 8.300 nan 0.000 0.467 410 L N 3.747 124.956 121.223 -0.023 0.000 2.260 410 L HA 0.450 4.788 4.340 -0.003 0.000 0.289 410 L C -0.660 176.113 176.870 -0.161 0.000 1.057 410 L CA -0.388 54.339 54.840 -0.190 0.000 0.811 410 L CB 0.799 42.699 42.059 -0.266 0.000 1.184 410 L HN 0.613 nan 8.230 nan 0.000 0.429 411 L N 4.065 125.085 121.223 -0.338 0.000 2.329 411 L HA 0.907 5.246 4.340 -0.003 0.000 0.279 411 L C -0.468 176.268 176.870 -0.224 0.000 1.014 411 L CA -0.352 54.278 54.840 -0.349 0.000 0.814 411 L CB 1.595 43.288 42.059 -0.610 0.000 1.257 411 L HN 0.661 nan 8.230 nan 0.000 0.424 412 A N 4.883 127.562 122.820 -0.235 0.000 2.459 412 A HA 0.725 5.043 4.320 -0.003 0.000 0.296 412 A C -2.057 175.492 177.584 -0.058 0.000 1.039 412 A CA -0.447 51.533 52.037 -0.095 0.000 0.698 412 A CB 1.395 20.297 19.000 -0.163 0.000 1.261 412 A HN 0.697 nan 8.150 nan 0.000 0.405 413 L N 2.469 123.718 121.223 0.044 0.000 2.385 413 L HA 0.912 5.250 4.340 -0.003 0.000 0.273 413 L C -0.632 176.299 176.870 0.101 0.000 0.990 413 L CA -0.418 54.459 54.840 0.062 0.000 0.821 413 L CB 1.769 43.880 42.059 0.087 0.000 1.279 413 L HN 0.896 nan 8.230 nan 0.000 0.412 414 M N 3.819 123.514 119.600 0.159 0.000 2.602 414 M HA 0.599 5.078 4.480 -0.003 0.000 0.312 414 M C -1.412 175.038 176.300 0.250 0.000 1.181 414 M CA -0.223 55.187 55.300 0.183 0.000 0.910 414 M CB 2.023 34.739 32.600 0.193 0.000 1.723 414 M HN 0.716 nan 8.290 nan 0.000 0.459 415 Q N 2.035 121.983 119.800 0.247 0.000 2.301 415 Q HA 0.621 4.960 4.340 -0.003 0.000 0.267 415 Q C -1.630 174.495 176.000 0.208 0.000 1.035 415 Q CA -1.126 54.832 55.803 0.258 0.000 0.856 415 Q CB 2.027 30.931 28.738 0.275 0.000 1.337 415 Q HN 0.601 nan 8.270 nan 0.000 0.450 416 K N 1.679 122.083 120.400 0.007 0.000 2.376 416 K HA 0.296 4.615 4.320 -0.003 0.000 0.257 416 K C -1.199 175.210 176.600 -0.318 0.000 0.939 416 K CA -0.720 55.305 56.287 -0.437 0.000 0.809 416 K CB 1.181 33.400 32.500 -0.469 0.000 1.121 416 K HN 0.713 nan 8.250 nan 0.000 0.425 417 H N 1.243 120.098 119.070 -0.358 0.000 2.652 417 H HA 0.430 4.984 4.556 -0.003 0.000 0.349 417 H C 0.043 175.237 175.328 -0.224 0.000 1.099 417 H CA -0.770 55.154 56.048 -0.207 0.000 1.417 417 H CB 1.124 30.799 29.762 -0.145 0.000 1.457 417 H HN 0.578 nan 8.280 nan 0.000 0.568 425 G N 3.445 112.135 108.800 -0.184 0.000 3.264 425 G HA2 0.563 4.521 3.960 -0.003 0.000 0.168 425 G HA3 0.563 4.521 3.960 -0.003 0.000 0.168 425 G C -0.100 174.656 174.900 -0.240 0.000 1.145 425 G CA -0.225 44.713 45.100 -0.270 0.000 0.855 425 G HN 0.735 nan 8.290 nan 0.000 0.629 426 R N -0.388 120.055 120.500 -0.095 0.000 4.024 426 R HA -0.170 4.168 4.340 -0.003 0.000 0.391 426 R C 1.015 177.291 176.300 -0.040 0.000 1.157 426 R CA 1.429 57.522 56.100 -0.013 0.000 1.215 426 R CB -1.536 28.831 30.300 0.112 0.000 1.738 426 R HN 0.588 nan 8.270 nan 0.000 0.566 427 D N 0.629 120.920 120.400 -0.181 0.000 2.224 427 D HA -0.067 4.571 4.640 -0.003 0.000 0.205 427 D C 1.117 177.390 176.300 -0.046 0.000 0.965 427 D CA 0.647 54.550 54.000 -0.163 0.000 0.852 427 D CB -0.024 40.560 40.800 -0.361 0.000 0.947 427 D HN 0.179 nan 8.370 nan 0.000 0.494 428 M N 1.366 120.947 119.600 -0.031 0.000 2.092 428 M HA -0.031 4.447 4.480 -0.003 0.000 0.247 428 M C 0.867 177.190 176.300 0.038 0.000 1.162 428 M CA 0.989 56.302 55.300 0.022 0.000 1.019 428 M CB -0.074 32.536 32.600 0.017 0.000 1.268 428 M HN -0.039 nan 8.290 nan 0.000 0.379 429 E N -0.295 119.940 120.200 0.058 0.000 2.355 429 E HA 0.425 4.773 4.350 -0.003 0.000 0.261 429 E C -0.806 175.815 176.600 0.036 0.000 0.943 429 E CA -0.777 55.648 56.400 0.042 0.000 0.806 429 E CB 0.755 30.480 29.700 0.043 0.000 1.286 429 E HN 0.471 nan 8.360 nan 0.000 0.424 430 T N 2.099 116.679 114.554 0.043 0.000 2.799 430 T HA 0.364 4.712 4.350 -0.003 0.000 0.296 430 T C 0.318 175.070 174.700 0.086 0.000 0.947 430 T CA 0.064 62.220 62.100 0.094 0.000 1.141 430 T CB -0.644 68.300 68.868 0.126 0.000 0.891 430 T HN 0.343 nan 8.240 nan 0.000 0.533 431 I N -0.094 120.466 120.570 -0.017 0.000 2.722 431 I HA 0.939 5.108 4.170 -0.003 0.000 0.295 431 I C -0.074 175.672 176.117 -0.619 0.000 1.161 431 I CA -0.980 60.172 61.300 -0.246 0.000 1.032 431 I CB 2.317 40.268 38.000 -0.083 0.000 1.244 431 I HN 0.705 nan 8.210 nan 0.000 0.421 432 G N 3.577 111.775 108.800 -1.003 0.000 2.606 432 G HA2 0.781 4.740 3.960 -0.003 0.000 0.300 432 G HA3 0.781 4.740 3.960 -0.003 0.000 0.300 432 G C -1.630 172.929 174.900 -0.567 0.000 1.360 432 G CA -0.602 43.704 45.100 -1.324 0.000 0.783 432 G HN 0.951 nan 8.290 nan 0.000 0.484 433 F N -2.315 117.445 119.950 -0.318 0.000 2.950 433 F HA 0.950 5.475 4.527 -0.003 0.000 0.327 433 F C -0.417 175.459 175.800 0.127 0.000 1.197 433 F CA -1.777 56.201 58.000 -0.038 0.000 0.954 433 F CB 1.308 40.287 39.000 -0.035 0.000 1.442 433 F HN 1.133 nan 8.300 nan 0.000 0.509 434 A N 0.486 123.640 122.820 0.556 0.000 2.422 434 A HA 0.751 5.069 4.320 -0.003 0.000 0.302 434 A C -2.012 175.737 177.584 0.274 0.000 1.041 434 A CA -0.774 51.476 52.037 0.355 0.000 0.708 434 A CB 1.657 20.871 19.000 0.356 0.000 1.257 434 A HN 0.926 nan 8.150 nan 0.000 0.414 435 V N 3.605 123.590 119.914 0.119 0.000 2.305 435 V HA 0.356 4.474 4.120 -0.003 0.000 0.275 435 V C -0.952 175.283 176.094 0.234 0.000 1.020 435 V CA -0.203 62.245 62.300 0.247 0.000 0.811 435 V CB -0.340 31.630 31.823 0.245 0.000 1.031 435 V HN 0.838 nan 8.190 nan 0.000 0.439 436 Y N 1.687 122.253 120.300 0.444 0.000 2.593 436 Y HA 0.575 5.123 4.550 -0.003 0.000 0.330 436 Y C 0.565 176.718 175.900 0.423 0.000 1.223 436 Y CA -0.686 57.670 58.100 0.426 0.000 1.350 436 Y CB 0.972 39.740 38.460 0.512 0.000 1.499 436 Y HN 0.442 nan 8.280 nan 0.000 0.554 437 Q N 0.726 120.855 119.800 0.548 0.000 2.312 437 Q HA 0.549 4.887 4.340 -0.003 0.000 0.263 437 Q C -1.613 174.551 176.000 0.272 0.000 0.995 437 Q CA -0.870 55.095 55.803 0.270 0.000 0.853 437 Q CB 1.661 30.470 28.738 0.118 0.000 1.300 437 Q HN 0.538 nan 8.270 nan 0.000 0.448 438 V N 4.557 124.506 119.914 0.058 0.000 2.686 438 V HA 0.366 4.485 4.120 -0.003 0.000 0.295 438 V C -1.927 174.171 176.094 0.007 0.000 1.055 438 V CA -1.119 61.177 62.300 -0.007 0.000 1.050 438 V CB 0.438 32.200 31.823 -0.102 0.000 0.984 438 V HN 0.793 nan 8.190 nan 0.000 0.482 439 P HA 0.341 nan 4.420 nan 0.000 0.283 439 P C 0.803 178.091 177.300 -0.019 0.000 1.278 439 P CA -0.752 62.365 63.100 0.028 0.000 0.834 439 P CB 0.895 32.647 31.700 0.086 0.000 1.150 440 R N 0.606 121.093 120.500 -0.021 0.000 2.327 440 R HA -0.301 4.037 4.340 -0.003 0.000 0.239 440 R C 0.984 177.264 176.300 -0.034 0.000 1.085 440 R CA 2.822 58.906 56.100 -0.028 0.000 0.890 440 R CB -2.945 27.343 30.300 -0.020 0.000 0.983 440 R HN 0.574 nan 8.270 nan 0.000 0.419 441 E N 2.680 122.861 120.200 -0.033 0.000 3.299 441 E HA 0.393 4.741 4.350 -0.003 0.000 0.294 441 E C 2.101 178.666 176.600 -0.059 0.000 1.160 441 E CA 0.993 57.368 56.400 -0.042 0.000 1.241 441 E CB -1.445 28.232 29.700 -0.039 0.000 1.046 441 E HN 0.680 nan 8.360 nan 0.000 0.460 442 L N -0.321 120.867 121.223 -0.058 0.000 2.265 442 L HA 0.366 4.704 4.340 -0.003 0.000 0.215 442 L C 2.484 179.315 176.870 -0.064 0.000 1.117 442 L CA 2.188 56.988 54.840 -0.067 0.000 0.782 442 L CB -1.793 40.226 42.059 -0.066 0.000 0.914 442 L HN 1.933 nan 8.230 nan 0.000 0.441 443 A N -1.722 121.066 122.820 -0.054 0.000 5.668 443 A HA 0.294 4.613 4.320 -0.003 0.000 0.317 443 A C 2.059 179.614 177.584 -0.049 0.000 1.826 443 A CA 2.123 54.130 52.037 -0.050 0.000 0.735 443 A CB -1.683 17.286 19.000 -0.052 0.000 1.336 443 A HN 3.060 nan 8.150 nan 0.000 0.396 447 V N -1.086 118.819 119.914 -0.014 0.000 5.259 447 V HA 0.471 4.589 4.120 -0.003 0.000 0.136 447 V C 0.764 176.894 176.094 0.059 0.000 0.888 447 V CA 0.352 62.633 62.300 -0.030 0.000 1.412 447 V CB -0.354 31.415 31.823 -0.090 0.000 2.358 447 V HN 0.428 nan 8.190 nan 0.000 0.398 448 H N 1.177 120.213 119.070 -0.056 0.000 3.025 448 H HA -0.097 4.457 4.556 -0.003 0.000 0.306 448 H C -0.634 174.707 175.328 0.020 0.000 0.903 448 H CA 0.668 56.717 56.048 0.001 0.000 0.966 448 H CB -0.668 29.128 29.762 0.058 0.000 1.577 448 H HN 0.484 nan 8.280 nan 0.000 0.333 449 L N 3.261 124.420 121.223 -0.107 0.000 2.416 449 L HA 0.392 4.731 4.340 -0.003 0.000 0.262 449 L C 0.794 177.828 176.870 0.274 0.000 1.093 449 L CA -0.463 54.307 54.840 -0.116 0.000 0.801 449 L CB 1.097 42.780 42.059 -0.626 0.000 1.191 449 L HN 0.354 nan 8.230 nan 0.000 0.459 450 K N -0.810 119.714 120.400 0.207 0.000 2.261 450 K HA 0.345 4.664 4.320 -0.003 0.000 0.242 450 K C 0.624 177.387 176.600 0.272 0.000 1.083 450 K CA -0.714 55.659 56.287 0.144 0.000 0.880 450 K CB 1.158 33.485 32.500 -0.288 0.000 1.353 450 K HN 0.447 nan 8.250 nan 0.000 0.486 451 R N 0.137 120.585 120.500 -0.087 0.000 2.066 451 R HA -0.067 4.271 4.340 -0.003 0.000 0.232 451 R C 0.659 177.120 176.300 0.268 0.000 1.131 451 R CA 1.899 58.111 56.100 0.185 0.000 0.955 451 R CB -0.445 29.799 30.300 -0.093 0.000 0.851 451 R HN 0.425 nan 8.270 nan 0.000 0.432 452 D N 0.572 121.004 120.400 0.055 0.000 2.106 452 D HA -0.206 4.432 4.640 -0.003 0.000 0.191 452 D C 1.562 177.843 176.300 -0.032 0.000 0.997 452 D CA 1.455 55.462 54.000 0.011 0.000 0.834 452 D CB -0.529 40.250 40.800 -0.035 0.000 0.956 452 D HN 0.205 nan 8.370 nan 0.000 0.448 453 F N 0.311 120.155 119.950 -0.176 0.000 2.094 453 F HA -0.347 4.178 4.527 -0.003 0.000 0.296 453 F C 1.877 177.406 175.800 -0.451 0.000 1.070 453 F CA 1.701 59.483 58.000 -0.363 0.000 1.255 453 F CB -0.443 38.186 39.000 -0.618 0.000 1.000 453 F HN -0.030 nan 8.300 nan 0.000 0.490 454 F N -1.773 118.174 119.950 -0.005 0.000 2.446 454 F HA -0.009 4.517 4.527 -0.003 0.000 0.292 454 F C 1.933 177.696 175.800 -0.061 0.000 1.096 454 F CA -0.120 57.824 58.000 -0.093 0.000 1.438 454 F CB -0.671 38.451 39.000 0.204 0.000 1.107 454 F HN -0.092 nan 8.300 nan 0.000 0.546 455 L N 0.630 121.931 121.223 0.129 0.000 1.970 455 L HA -0.188 4.150 4.340 -0.003 0.000 0.212 455 L C 2.495 179.360 176.870 -0.008 0.000 1.071 455 L CA 1.813 56.685 54.840 0.054 0.000 0.751 455 L CB -1.702 40.376 42.059 0.031 0.000 0.889 455 L HN 0.139 nan 8.230 nan 0.000 0.432 456 A N -0.306 122.463 122.820 -0.084 0.000 2.404 456 A HA -0.210 4.109 4.320 -0.003 0.000 0.189 456 A C 0.619 178.132 177.584 -0.117 0.000 1.145 456 A CA 0.873 52.837 52.037 -0.122 0.000 0.839 456 A CB -1.389 17.508 19.000 -0.172 0.000 0.848 456 A HN 0.676 nan 8.150 nan 0.000 0.545 457 N N -0.257 118.304 118.700 -0.232 0.000 1.403 457 N HA 0.053 4.791 4.740 -0.003 0.000 0.406 457 N C -0.405 175.227 175.510 0.203 0.000 1.163 457 N CA 0.195 53.165 53.050 -0.133 0.000 0.746 457 N CB -0.121 38.084 38.487 -0.470 0.000 0.945 457 N HN 0.846 nan 8.380 nan 0.000 0.558 458 A N 2.184 125.176 122.820 0.285 0.000 2.331 458 A HA 0.521 4.839 4.320 -0.003 0.000 0.320 458 A C 0.344 178.104 177.584 0.293 0.000 1.138 458 A CA -0.765 51.469 52.037 0.328 0.000 0.790 458 A CB 0.952 20.046 19.000 0.156 0.000 1.206 458 A HN 0.712 nan 8.150 nan 0.000 0.470 459 S N 2.393 118.091 115.700 -0.004 0.000 2.593 459 S HA -0.044 4.425 4.470 -0.003 0.000 0.303 459 S C 0.674 175.292 174.600 0.030 0.000 1.267 459 S CA 0.071 58.105 58.200 -0.277 0.000 1.047 459 S CB 0.288 63.262 63.200 -0.378 0.000 0.777 459 S HN 0.688 nan 8.310 nan 0.000 0.498 460 R N 1.426 121.990 120.500 0.107 0.000 2.310 460 R HA 0.405 4.743 4.340 -0.003 0.000 0.202 460 R C 0.633 176.988 176.300 0.091 0.000 0.933 460 R CA 0.766 56.957 56.100 0.151 0.000 1.054 460 R CB -0.647 29.827 30.300 0.289 0.000 0.985 460 R HN 0.932 nan 8.270 nan 0.000 0.489 461 A N 0.447 123.302 122.820 0.059 0.000 2.485 461 A HA 0.352 4.670 4.320 -0.003 0.000 0.299 461 A C -1.634 176.018 177.584 0.112 0.000 0.947 461 A CA -0.941 51.137 52.037 0.069 0.000 0.595 461 A CB 0.611 19.659 19.000 0.079 0.000 1.397 461 A HN 0.170 nan 8.150 nan 0.000 0.462 462 Q N -1.521 118.384 119.800 0.176 0.000 3.107 462 Q HA 0.544 4.883 4.340 -0.003 0.000 0.319 462 Q C -0.476 175.576 176.000 0.086 0.000 0.868 462 Q CA -0.306 55.682 55.803 0.309 0.000 0.825 462 Q CB -0.010 28.825 28.738 0.162 0.000 1.553 462 Q HN 2.057 nan 8.270 nan 0.000 0.489 463 S N 0.854 116.300 115.700 -0.423 0.000 2.465 463 S HA 0.131 4.599 4.470 -0.003 0.000 0.307 463 S C 0.225 174.685 174.600 -0.233 0.000 1.187 463 S CA -0.240 57.556 58.200 -0.674 0.000 1.141 463 S CB -0.099 62.365 63.200 -1.227 0.000 1.108 463 S HN 0.590 nan 8.310 nan 0.000 0.525 464 E N 4.429 124.510 120.200 -0.198 0.000 2.868 464 E HA -0.212 4.136 4.350 -0.003 0.000 0.246 464 E C -0.379 176.079 176.600 -0.236 0.000 0.962 464 E CA 0.229 56.477 56.400 -0.253 0.000 0.955 464 E CB -0.557 29.011 29.700 -0.220 0.000 0.903 464 E HN 0.862 nan 8.360 nan 0.000 0.524 465 H N 1.813 120.911 119.070 0.047 0.000 3.934 465 H HA -0.225 4.330 4.556 -0.003 0.000 0.263 465 H C -0.424 175.020 175.328 0.194 0.000 0.639 465 H CA 0.868 56.970 56.048 0.089 0.000 0.754 465 H CB -0.948 28.841 29.762 0.046 0.000 1.253 465 H HN 0.594 nan 8.280 nan 0.000 0.299 466 F N 1.912 121.898 119.950 0.060 0.000 2.668 466 F HA 0.260 4.786 4.527 -0.003 0.000 0.297 466 F C 1.231 177.017 175.800 -0.024 0.000 1.124 466 F CA -0.731 57.278 58.000 0.014 0.000 1.353 466 F CB -0.189 38.862 39.000 0.086 0.000 0.992 466 F HN 0.411 nan 8.300 nan 0.000 0.524 467 I N 2.356 123.021 120.570 0.158 0.000 3.618 467 I HA -0.294 3.874 4.170 -0.003 0.000 0.306 467 I C 0.928 177.067 176.117 0.036 0.000 1.210 467 I CA 0.312 61.646 61.300 0.055 0.000 1.676 467 I CB -0.745 37.275 38.000 0.034 0.000 1.367 467 I HN 0.252 nan 8.210 nan 0.000 0.479 468 N N 9.068 127.786 118.700 0.030 0.000 2.434 468 N HA 0.273 5.012 4.740 -0.003 0.000 0.268 468 N C -0.802 174.711 175.510 0.006 0.000 1.256 468 N CA -0.055 53.007 53.050 0.019 0.000 0.914 468 N CB 1.086 39.587 38.487 0.024 0.000 1.088 468 N HN 0.606 nan 8.380 nan 0.000 0.478 469 L N 0.351 121.578 121.223 0.007 0.000 2.963 469 L HA 0.513 4.851 4.340 -0.003 0.000 0.273 469 L C 1.049 177.930 176.870 0.018 0.000 1.078 469 L CA -0.995 53.843 54.840 -0.004 0.000 0.970 469 L CB 0.596 42.642 42.059 -0.022 0.000 1.564 469 L HN 0.405 nan 8.230 nan 0.000 0.381 470 R N -0.113 120.392 120.500 0.009 0.000 2.073 470 R HA 0.050 4.388 4.340 -0.003 0.000 0.234 470 R C -0.020 176.326 176.300 0.076 0.000 1.134 470 R CA 1.896 58.024 56.100 0.045 0.000 0.952 470 R CB 0.189 30.484 30.300 -0.008 0.000 0.850 470 R HN 0.803 nan 8.270 nan 0.000 0.433 471 E N 0.016 120.238 120.200 0.037 0.000 2.308 471 E HA 0.262 4.610 4.350 -0.003 0.000 0.275 471 E C -1.656 174.947 176.600 0.004 0.000 0.890 471 E CA -0.751 55.669 56.400 0.034 0.000 0.754 471 E CB 2.274 31.982 29.700 0.014 0.000 1.207 471 E HN 0.035 nan 8.360 nan 0.000 0.426 472 V N 2.018 121.927 119.914 -0.009 0.000 2.547 472 V HA 0.703 4.821 4.120 -0.003 0.000 0.299 472 V C -0.347 175.734 176.094 -0.021 0.000 1.040 472 V CA -0.711 61.556 62.300 -0.056 0.000 0.913 472 V CB 1.306 33.028 31.823 -0.168 0.000 0.992 472 V HN 0.697 nan 8.190 nan 0.000 0.449 473 S N 2.062 117.732 115.700 -0.050 0.000 2.652 473 S HA 0.563 5.031 4.470 -0.003 0.000 0.273 473 S C -1.023 173.546 174.600 -0.052 0.000 1.172 473 S CA -0.746 57.456 58.200 0.004 0.000 1.009 473 S CB 1.593 64.747 63.200 -0.077 0.000 1.094 473 S HN 0.800 nan 8.310 nan 0.000 0.471 474 N N 1.791 120.522 118.700 0.052 0.000 3.061 474 N HA 0.625 5.364 4.740 -0.003 0.000 0.346 474 N C -0.852 174.562 175.510 -0.160 0.000 1.392 474 N CA -1.018 51.976 53.050 -0.093 0.000 0.762 474 N CB 1.524 39.992 38.487 -0.030 0.000 1.367 474 N HN 0.809 nan 8.380 nan 0.000 0.607 475 R N 0.569 120.967 120.500 -0.170 0.000 2.686 475 R HA 0.556 4.894 4.340 -0.003 0.000 0.286 475 R C -1.483 174.698 176.300 -0.197 0.000 0.969 475 R CA -0.540 55.444 56.100 -0.193 0.000 0.898 475 R CB 0.635 30.883 30.300 -0.086 0.000 1.183 475 R HN 0.475 nan 8.270 nan 0.000 0.456 476 I N 2.540 122.908 120.570 -0.337 0.000 2.785 476 I HA 0.550 4.719 4.170 -0.003 0.000 0.302 476 I C -0.498 175.583 176.117 -0.060 0.000 1.069 476 I CA -0.847 60.277 61.300 -0.294 0.000 1.045 476 I CB 1.932 39.544 38.000 -0.645 0.000 1.236 476 I HN 0.685 nan 8.210 nan 0.000 0.429 477 R N 4.773 125.295 120.500 0.036 0.000 2.512 477 R HA 0.761 5.100 4.340 -0.003 0.000 0.291 477 R C -2.094 174.244 176.300 0.063 0.000 1.097 477 R CA -0.497 55.656 56.100 0.089 0.000 0.940 477 R CB 1.777 32.114 30.300 0.062 0.000 1.198 477 R HN 0.594 nan 8.270 nan 0.000 0.429 478 L N 5.014 126.271 121.223 0.057 0.000 2.455 478 L HA 0.594 4.933 4.340 -0.003 0.000 0.264 478 L C -2.388 174.531 176.870 0.081 0.000 0.968 478 L CA -2.236 52.593 54.840 -0.019 0.000 0.827 478 L CB 2.720 44.538 42.059 -0.401 0.000 1.317 478 L HN 0.470 nan 8.230 nan 0.000 0.407 479 P HA 0.282 nan 4.420 nan 0.000 0.274 479 P C -2.646 174.810 177.300 0.261 0.000 1.231 479 P CA -1.745 61.464 63.100 0.182 0.000 0.790 479 P CB -0.143 31.661 31.700 0.173 0.000 0.951 480 P HA 0.251 nan 4.420 nan 0.000 0.267 480 P C 0.264 177.661 177.300 0.161 0.000 1.195 480 P CA 1.061 64.259 63.100 0.164 0.000 0.773 480 P CB 0.022 31.771 31.700 0.082 0.000 0.837 481 G N 0.458 109.325 108.800 0.112 0.000 2.350 481 G HA2 0.106 4.064 3.960 -0.003 0.000 0.304 481 G HA3 0.106 4.064 3.960 -0.003 0.000 0.304 481 G C -1.815 172.976 174.900 -0.180 0.000 1.421 481 G CA -0.725 44.290 45.100 -0.142 0.000 0.934 481 G HN 0.398 nan 8.290 nan 0.000 0.632 482 E N -0.255 119.741 120.200 -0.340 0.000 2.197 482 E HA 0.580 4.929 4.350 -0.003 0.000 0.281 482 E C -1.172 175.182 176.600 -0.410 0.000 0.995 482 E CA -0.331 55.929 56.400 -0.233 0.000 0.808 482 E CB 1.588 31.194 29.700 -0.156 0.000 1.093 482 E HN 0.408 nan 8.360 nan 0.000 0.394 483 Y N 1.210 121.514 120.300 0.006 0.000 2.576 483 Y HA 0.370 4.919 4.550 -0.003 0.000 0.346 483 Y C -0.206 175.763 175.900 0.116 0.000 1.018 483 Y CA -1.161 56.993 58.100 0.091 0.000 1.050 483 Y CB 1.223 39.745 38.460 0.104 0.000 1.280 483 Y HN 0.326 nan 8.280 nan 0.000 0.474 484 I N 2.719 123.511 120.570 0.369 0.000 2.354 484 I HA 0.337 4.505 4.170 -0.003 0.000 0.292 484 I C -0.655 175.720 176.117 0.431 0.000 0.989 484 I CA -1.017 60.474 61.300 0.318 0.000 1.188 484 I CB 1.291 39.471 38.000 0.301 0.000 1.342 484 I HN 0.341 nan 8.210 nan 0.000 0.457 485 V N 8.150 128.307 119.914 0.404 0.000 2.378 485 V HA 0.485 4.603 4.120 -0.003 0.000 0.288 485 V C -0.675 175.646 176.094 0.378 0.000 1.016 485 V CA -0.417 62.115 62.300 0.386 0.000 0.840 485 V CB 1.821 33.851 31.823 0.344 0.000 0.994 485 V HN 0.394 nan 8.190 nan 0.000 0.431 486 V N 10.534 130.652 119.914 0.341 0.000 2.304 486 V HA 0.432 4.550 4.120 -0.003 0.000 0.269 486 V C -2.095 174.148 176.094 0.249 0.000 1.036 486 V CA -1.332 61.109 62.300 0.235 0.000 0.840 486 V CB 1.376 33.193 31.823 -0.010 0.000 1.036 486 V HN 0.833 nan 8.190 nan 0.000 0.466 487 P HA 0.475 nan 4.420 nan 0.000 0.290 487 P C -0.642 176.826 177.300 0.280 0.000 1.276 487 P CA -0.069 63.125 63.100 0.157 0.000 0.808 487 P CB 1.903 33.511 31.700 -0.154 0.000 0.966 488 S N 0.882 116.664 115.700 0.137 0.000 2.611 488 S HA 0.489 4.957 4.470 -0.003 0.000 0.268 488 S C -0.566 173.762 174.600 -0.454 0.000 1.156 488 S CA -0.708 57.420 58.200 -0.120 0.000 0.817 488 S CB 0.681 63.921 63.200 0.067 0.000 1.122 488 S HN 0.536 nan 8.310 nan 0.000 0.466 489 T N 0.329 114.401 114.554 -0.803 0.000 2.851 489 T HA 0.422 4.770 4.350 -0.003 0.000 0.298 489 T C 0.942 175.695 174.700 0.089 0.000 0.977 489 T CA -0.422 61.442 62.100 -0.393 0.000 1.126 489 T CB -0.088 68.481 68.868 -0.499 0.000 0.916 489 T HN 0.549 nan 8.240 nan 0.000 0.529 490 F N 2.595 122.750 119.950 0.341 0.000 2.132 490 F HA -0.197 4.329 4.527 -0.003 0.000 0.294 490 F C 1.531 177.298 175.800 -0.055 0.000 1.157 490 F CA 1.950 60.070 58.000 0.200 0.000 1.258 490 F CB -0.486 38.568 39.000 0.089 0.000 0.927 490 F HN 0.720 nan 8.300 nan 0.000 0.535 491 E N 0.913 121.114 120.200 0.002 0.000 2.301 491 E HA 0.200 4.549 4.350 -0.003 0.000 0.275 491 E C -2.231 174.115 176.600 -0.423 0.000 1.030 491 E CA -1.888 54.263 56.400 -0.415 0.000 0.852 491 E CB 0.672 30.285 29.700 -0.144 0.000 1.060 491 E HN 0.083 nan 8.360 nan 0.000 0.401 492 P HA 0.075 nan 4.420 nan 0.000 0.286 492 P C -0.554 176.656 177.300 -0.150 0.000 1.293 492 P CA -0.176 62.724 63.100 -0.333 0.000 0.770 492 P CB 0.440 31.914 31.700 -0.376 0.000 1.206 493 N N -4.193 114.497 118.700 -0.017 0.000 2.955 493 N HA -0.187 4.552 4.740 -0.003 0.000 0.230 493 N C -0.362 175.177 175.510 0.047 0.000 0.891 493 N CA 0.778 53.885 53.050 0.096 0.000 1.002 493 N CB -1.106 37.433 38.487 0.087 0.000 1.063 493 N HN 0.430 nan 8.380 nan 0.000 0.601 494 K N 1.518 121.912 120.400 -0.010 0.000 2.144 494 K HA 0.376 4.694 4.320 -0.003 0.000 0.270 494 K C -0.182 176.453 176.600 0.059 0.000 1.005 494 K CA 0.185 56.472 56.287 -0.000 0.000 0.932 494 K CB 1.130 33.602 32.500 -0.047 0.000 1.021 494 K HN 0.126 nan 8.250 nan 0.000 0.462 495 E N -0.320 119.954 120.200 0.124 0.000 2.312 495 E HA 0.633 4.981 4.350 -0.003 0.000 0.267 495 E C -0.698 176.074 176.600 0.288 0.000 0.894 495 E CA -0.807 55.723 56.400 0.216 0.000 0.773 495 E CB 2.241 32.026 29.700 0.141 0.000 1.241 495 E HN 0.728 nan 8.360 nan 0.000 0.432 496 G N 1.347 110.390 108.800 0.406 0.000 2.451 496 G HA2 0.332 4.291 3.960 -0.003 0.000 0.292 496 G HA3 0.332 4.291 3.960 -0.003 0.000 0.292 496 G C -1.851 173.207 174.900 0.263 0.000 1.427 496 G CA -0.716 44.645 45.100 0.436 0.000 0.792 496 G HN 0.370 nan 8.290 nan 0.000 0.498 497 D N 0.029 120.511 120.400 0.137 0.000 2.505 497 D HA 0.738 5.377 4.640 -0.003 0.000 0.249 497 D C -0.433 175.825 176.300 -0.070 0.000 1.082 497 D CA -0.019 53.918 54.000 -0.105 0.000 0.839 497 D CB 2.018 42.733 40.800 -0.142 0.000 1.317 497 D HN 0.420 nan 8.370 nan 0.000 0.497 498 F N -0.042 119.745 119.950 -0.272 0.000 2.894 498 F HA 0.781 5.306 4.527 -0.003 0.000 0.332 498 F C -1.797 173.940 175.800 -0.105 0.000 1.192 498 F CA -1.438 56.455 58.000 -0.178 0.000 0.980 498 F CB 1.253 40.062 39.000 -0.318 0.000 1.448 498 F HN 0.123 nan 8.300 nan 0.000 0.514 499 L N 2.181 123.583 121.223 0.299 0.000 2.568 499 L HA 0.553 4.891 4.340 -0.003 0.000 0.262 499 L C -1.980 175.036 176.870 0.243 0.000 0.980 499 L CA -0.141 54.828 54.840 0.215 0.000 0.882 499 L CB 1.325 43.484 42.059 0.166 0.000 1.198 499 L HN 0.740 nan 8.230 nan 0.000 0.425 500 L N 4.296 125.624 121.223 0.175 0.000 2.379 500 L HA 0.609 4.947 4.340 -0.003 0.000 0.269 500 L C 0.004 176.820 176.870 -0.090 0.000 1.084 500 L CA -0.504 54.284 54.840 -0.086 0.000 0.802 500 L CB 1.450 43.280 42.059 -0.382 0.000 1.175 500 L HN 0.656 nan 8.230 nan 0.000 0.448 501 R N 1.424 121.819 120.500 -0.174 0.000 2.837 501 R HA 0.614 4.953 4.340 -0.003 0.000 0.271 501 R C -1.731 174.453 176.300 -0.193 0.000 0.993 501 R CA -0.616 55.475 56.100 -0.015 0.000 0.931 501 R CB 2.189 32.613 30.300 0.206 0.000 1.206 501 R HN 0.234 nan 8.270 nan 0.000 0.474 502 F N 1.493 121.574 119.950 0.218 0.000 2.539 502 F HA 0.446 4.972 4.527 -0.003 0.000 0.328 502 F C -0.999 174.909 175.800 0.180 0.000 1.148 502 F CA -0.545 57.598 58.000 0.239 0.000 0.940 502 F CB 1.223 40.319 39.000 0.161 0.000 1.194 502 F HN 0.268 nan 8.300 nan 0.000 0.438 503 F N 1.870 121.908 119.950 0.146 0.000 2.411 503 F HA 0.589 5.114 4.527 -0.003 0.000 0.352 503 F C 0.242 176.212 175.800 0.284 0.000 1.123 503 F CA -0.692 57.341 58.000 0.054 0.000 1.044 503 F CB 1.850 40.587 39.000 -0.438 0.000 1.135 503 F HN 0.209 nan 8.300 nan 0.000 0.461 504 S N 1.973 117.987 115.700 0.522 0.000 2.513 504 S HA 0.202 4.670 4.470 -0.003 0.000 0.299 504 S C 0.921 175.857 174.600 0.559 0.000 1.087 504 S CA -0.796 57.742 58.200 0.563 0.000 1.012 504 S CB 1.944 65.309 63.200 0.274 0.000 1.044 504 S HN 0.797 nan 8.310 nan 0.000 0.485 505 E N 1.580 122.028 120.200 0.413 0.000 2.204 505 E HA -0.024 4.325 4.350 -0.003 0.000 0.194 505 E C 0.535 177.144 176.600 0.016 0.000 0.989 505 E CA 0.934 57.385 56.400 0.086 0.000 0.824 505 E CB 0.087 29.812 29.700 0.041 0.000 0.756 505 E HN 0.580 nan 8.360 nan 0.000 0.477 506 K N 0.908 121.346 120.400 0.062 0.000 2.385 506 K HA 0.396 4.715 4.320 -0.003 0.000 0.248 506 K C -0.850 175.770 176.600 0.034 0.000 0.955 506 K CA -0.846 55.457 56.287 0.027 0.000 0.816 506 K CB 0.888 33.400 32.500 0.019 0.000 1.250 506 K HN -0.131 nan 8.250 nan 0.000 0.434 507 K N 0.420 120.830 120.400 0.017 0.000 2.550 507 K HA 0.386 4.705 4.320 -0.003 0.000 0.280 507 K C 0.150 176.748 176.600 -0.004 0.000 0.987 507 K CA 0.876 57.170 56.287 0.011 0.000 1.048 507 K CB 0.718 33.219 32.500 0.002 0.000 0.879 507 K HN 0.897 nan 8.250 nan 0.000 0.491 508 A N 2.495 125.304 122.820 -0.019 0.000 3.300 508 A HA 0.452 4.770 4.320 -0.003 0.000 0.300 508 A C 0.331 177.857 177.584 -0.096 0.000 1.099 508 A CA -0.461 51.537 52.037 -0.065 0.000 0.846 508 A CB 0.026 18.963 19.000 -0.104 0.000 1.255 508 A HN 0.677 nan 8.150 nan 0.000 0.519 509 G N 2.016 110.776 108.800 -0.066 0.000 2.115 509 G HA2 0.335 4.293 3.960 -0.003 0.000 0.244 509 G HA3 0.335 4.293 3.960 -0.003 0.000 0.244 509 G C 0.424 175.262 174.900 -0.104 0.000 1.105 509 G CA 1.109 46.174 45.100 -0.059 0.000 0.893 509 G HN 1.241 nan 8.290 nan 0.000 0.443 510 T N -1.127 113.386 114.554 -0.068 0.000 2.856 510 T HA 0.866 5.214 4.350 -0.003 0.000 0.283 510 T C -0.299 174.475 174.700 0.123 0.000 1.008 510 T CA 0.128 62.170 62.100 -0.097 0.000 0.997 510 T CB 2.006 70.789 68.868 -0.142 0.000 0.992 510 T HN 1.446 nan 8.240 nan 0.000 0.454 511 Q N 1.176 121.031 119.800 0.093 0.000 2.418 511 Q HA 0.595 4.933 4.340 -0.003 0.000 0.282 511 Q C -0.722 175.162 176.000 -0.194 0.000 1.044 511 Q CA -1.192 54.623 55.803 0.019 0.000 0.813 511 Q CB 1.094 29.811 28.738 -0.036 0.000 1.428 511 Q HN 0.956 nan 8.270 nan 0.000 0.402 512 E N 1.556 121.467 120.200 -0.482 0.000 2.406 512 E HA 0.282 4.631 4.350 -0.003 0.000 0.258 512 E C -0.787 175.540 176.600 -0.455 0.000 1.043 512 E CA -0.518 55.480 56.400 -0.670 0.000 0.929 512 E CB 0.486 29.800 29.700 -0.642 0.000 0.969 512 E HN 0.514 nan 8.360 nan 0.000 0.462 513 L N 3.957 124.894 121.223 -0.475 0.000 2.261 513 L HA 0.432 4.770 4.340 -0.003 0.000 0.289 513 L C -0.874 175.862 176.870 -0.223 0.000 1.059 513 L CA 0.330 55.005 54.840 -0.276 0.000 0.816 513 L CB 0.225 42.151 42.059 -0.222 0.000 1.191 513 L HN 0.605 nan 8.230 nan 0.000 0.431 514 D N 1.624 121.956 120.400 -0.112 0.000 2.755 514 D HA 0.198 4.836 4.640 -0.003 0.000 0.277 514 D C -1.100 175.219 176.300 0.032 0.000 1.261 514 D CA -0.471 53.543 54.000 0.024 0.000 0.759 514 D CB 1.466 42.279 40.800 0.023 0.000 1.279 514 D HN 0.352 nan 8.370 nan 0.000 0.420 515 D N 0.267 120.719 120.400 0.086 0.000 2.307 515 D HA 0.045 4.683 4.640 -0.003 0.000 0.234 515 D C -0.121 176.196 176.300 0.028 0.000 1.308 515 D CA 0.583 54.619 54.000 0.060 0.000 0.886 515 D CB 0.418 41.275 40.800 0.095 0.000 1.202 515 D HN 0.158 nan 8.370 nan 0.000 0.479 516 Q N 0.518 120.334 119.800 0.027 0.000 2.325 516 Q HA 0.274 4.612 4.340 -0.003 0.000 0.270 516 Q C -0.629 175.393 176.000 0.036 0.000 1.020 516 Q CA -0.974 54.837 55.803 0.015 0.000 0.785 516 Q CB 1.754 30.494 28.738 0.003 0.000 1.259 516 Q HN 0.236 nan 8.270 nan 0.000 0.452 517 I N 2.145 122.733 120.570 0.031 0.000 2.943 517 I HA -0.109 4.059 4.170 -0.003 0.000 0.296 517 I C 0.325 176.534 176.117 0.153 0.000 1.220 517 I CA 0.988 62.330 61.300 0.071 0.000 1.409 517 I CB -0.632 37.362 38.000 -0.011 0.000 1.374 517 I HN 0.487 nan 8.210 nan 0.000 0.545 518 Q N 4.374 124.319 119.800 0.242 0.000 2.507 518 Q HA 0.684 5.022 4.340 -0.003 0.000 0.248 518 Q C -1.750 174.175 176.000 -0.124 0.000 0.941 518 Q CA -0.530 55.309 55.803 0.060 0.000 1.003 518 Q CB 1.798 30.532 28.738 -0.007 0.000 1.517 518 Q HN 0.842 nan 8.270 nan 0.000 0.443 519 A N 2.108 124.613 122.820 -0.524 0.000 2.293 519 A HA 0.747 5.065 4.320 -0.003 0.000 0.312 519 A C -0.709 176.508 177.584 -0.612 0.000 1.309 519 A CA 0.139 51.626 52.037 -0.917 0.000 0.839 519 A CB 0.330 18.198 19.000 -1.887 0.000 1.155 519 A HN 0.768 nan 8.150 nan 0.000 0.501 520 N N 3.111 121.512 118.700 -0.497 0.000 2.501 520 N HA 0.620 5.359 4.740 -0.003 0.000 0.245 520 N C -0.824 174.466 175.510 -0.367 0.000 0.974 520 N CA -0.370 52.460 53.050 -0.367 0.000 0.941 520 N CB 0.437 38.788 38.487 -0.226 0.000 1.122 520 N HN 0.652 nan 8.380 nan 0.000 0.507 521 L N 0.649 121.678 121.223 -0.324 0.000 2.388 521 L HA 0.737 5.076 4.340 -0.003 0.000 0.264 521 L C -1.901 174.879 176.870 -0.149 0.000 0.998 521 L CA -1.898 52.787 54.840 -0.260 0.000 0.817 521 L CB 1.605 43.481 42.059 -0.305 0.000 1.338 521 L HN 0.390 nan 8.230 nan 0.000 0.414 522 P HA 0.240 nan 4.420 nan 0.000 0.269 522 P C -0.474 176.782 177.300 -0.074 0.000 1.215 522 P CA -0.146 62.899 63.100 -0.093 0.000 0.780 522 P CB 0.216 31.860 31.700 -0.092 0.000 0.898 523 D N 1.242 121.608 120.400 -0.057 0.000 2.362 523 D HA 0.026 4.664 4.640 -0.003 0.000 0.242 523 D C 1.439 177.714 176.300 -0.041 0.000 1.132 523 D CA -0.184 53.791 54.000 -0.041 0.000 0.907 523 D CB 0.435 nan 40.800 nan 0.000 1.195 523 D HN 0.558 nan 8.370 nan 0.000 0.429 524 E N 0.756 120.937 120.200 -0.032 0.000 2.197 524 E HA -0.303 4.045 4.350 -0.003 0.000 0.205 524 E C 0.327 176.908 176.600 -0.032 0.000 1.029 524 E CA 1.234 57.614 56.400 -0.033 0.000 0.828 524 E CB -0.789 28.899 29.700 -0.019 0.000 0.737 524 E HN 0.671 nan 8.360 nan 0.000 0.464 525 K N 3.003 123.387 120.400 -0.026 0.000 2.196 525 K HA 0.049 4.367 4.320 -0.003 0.000 0.254 525 K C 0.988 177.572 176.600 -0.027 0.000 1.303 525 K CA 0.771 57.044 56.287 -0.022 0.000 1.306 525 K CB -0.857 31.631 32.500 -0.020 0.000 0.803 525 K HN 0.283 nan 8.250 nan 0.000 0.469 538 T N 0.818 115.379 114.554 0.012 0.000 0.541 538 T HA -0.173 4.176 4.350 -0.003 0.000 0.774 538 T C -0.698 173.990 174.700 -0.019 0.000 0.992 538 T CA 0.430 62.530 62.100 -0.001 0.000 4.077 538 T CB -0.328 68.544 68.868 0.007 0.000 2.303 538 T HN 0.794 nan 8.240 nan 0.000 0.398 539 L N -0.436 120.778 121.223 -0.014 0.000 1.437 539 L HA 0.120 4.458 4.340 -0.003 0.000 0.582 539 L C 0.180 177.021 176.870 -0.049 0.000 1.001 539 L CA -0.574 54.260 54.840 -0.010 0.000 1.233 539 L CB -0.676 41.363 42.059 -0.032 0.000 2.116 539 L HN 0.867 nan 8.230 nan 0.000 1.086 551 S N 0.983 116.639 115.700 -0.074 0.000 2.423 551 S HA 0.670 5.138 4.470 -0.003 0.000 0.244 551 S C 1.759 176.369 174.600 0.016 0.000 1.267 551 S CA 2.071 60.268 58.200 -0.006 0.000 0.988 551 S CB -0.027 63.190 63.200 0.029 0.000 0.978 551 S HN 2.627 nan 8.310 nan 0.000 0.506 552 V N 1.140 121.077 119.914 0.038 0.000 2.231 552 V HA 0.028 4.146 4.120 -0.003 0.000 0.239 552 V C 2.995 179.125 176.094 0.059 0.000 1.035 552 V CA 3.501 65.832 62.300 0.052 0.000 0.989 552 V CB -2.243 29.610 31.823 0.050 0.000 0.636 552 V HN 1.160 nan 8.190 nan 0.000 0.457 553 K N 0.264 120.699 120.400 0.059 0.000 2.442 553 K HA -0.010 4.308 4.320 -0.003 0.000 0.200 553 K C 2.028 178.668 176.600 0.067 0.000 1.045 553 K CA 2.671 58.997 56.287 0.065 0.000 0.937 553 K CB -1.617 30.919 32.500 0.060 0.000 0.757 553 K HN 1.144 nan 8.250 nan 0.000 0.474 554 E N -0.243 119.991 120.200 0.057 0.000 2.086 554 E HA 0.318 4.667 4.350 -0.003 0.000 0.190 554 E C 2.624 179.234 176.600 0.018 0.000 0.975 554 E CA 1.283 57.707 56.400 0.039 0.000 0.813 554 E CB -1.199 28.510 29.700 0.016 0.000 0.768 554 E HN 0.860 nan 8.360 nan 0.000 0.457 555 L N 1.028 122.267 121.223 0.026 0.000 1.970 555 L HA -0.212 4.126 4.340 -0.003 0.000 0.212 555 L C 2.845 179.808 176.870 0.156 0.000 1.071 555 L CA 3.265 58.150 54.840 0.075 0.000 0.751 555 L CB -1.815 40.343 42.059 0.165 0.000 0.889 555 L HN 0.671 nan 8.230 nan 0.000 0.432 556 Q N -1.034 118.865 119.800 0.164 0.000 2.012 556 Q HA -0.310 4.028 4.340 -0.003 0.000 0.211 556 Q C 2.218 178.343 176.000 0.208 0.000 1.009 556 Q CA 3.232 59.173 55.803 0.230 0.000 0.866 556 Q CB -0.707 28.140 28.738 0.182 0.000 0.945 556 Q HN 0.715 nan 8.270 nan 0.000 0.414 557 T N 0.990 115.625 114.554 0.134 0.000 2.464 557 T HA -0.363 3.985 4.350 -0.003 0.000 0.245 557 T C 2.100 176.866 174.700 0.111 0.000 1.298 557 T CA 3.159 65.320 62.100 0.103 0.000 1.152 557 T CB -1.485 67.427 68.868 0.074 0.000 0.854 557 T HN 0.579 nan 8.240 nan 0.000 0.428 558 I N 2.334 122.956 120.570 0.087 0.000 2.110 558 I HA -0.032 4.137 4.170 -0.003 0.000 0.226 558 I C 3.249 179.452 176.117 0.142 0.000 1.001 558 I CA 3.627 64.966 61.300 0.066 0.000 1.309 558 I CB -1.934 36.057 38.000 -0.015 0.000 1.022 558 I HN 0.590 nan 8.210 nan 0.000 0.384 559 L N 0.692 122.086 121.223 0.285 0.000 1.997 559 L HA -0.121 4.217 4.340 -0.003 0.000 0.227 559 L C 2.100 179.126 176.870 0.260 0.000 1.087 559 L CA 4.267 59.376 54.840 0.447 0.000 0.797 559 L CB -2.784 39.809 42.059 0.889 0.000 0.902 559 L HN 1.590 nan 8.230 nan 0.000 0.441 571 T N -1.623 112.961 114.554 0.049 0.000 3.502 571 T HA 0.216 4.564 4.350 -0.003 0.000 0.310 571 T C -0.288 174.446 174.700 0.057 0.000 0.902 571 T CA 0.278 62.413 62.100 0.059 0.000 0.964 571 T CB -0.563 68.347 68.868 0.070 0.000 1.200 571 T HN 0.588 nan 8.240 nan 0.000 0.599 572 N N 1.475 120.197 118.700 0.036 0.000 2.223 572 N HA 0.318 5.056 4.740 -0.003 0.000 0.271 572 N C 0.425 175.929 175.510 -0.010 0.000 1.315 572 N CA 1.736 54.791 53.050 0.009 0.000 0.835 572 N CB -0.017 38.467 38.487 -0.005 0.000 1.066 572 N HN 0.773 nan 8.380 nan 0.000 0.486 573 G N 2.081 110.845 108.800 -0.060 0.000 2.612 573 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.686 573 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.686 573 G C -0.244 174.630 174.900 -0.043 0.000 1.274 573 G CA -0.752 44.262 45.100 -0.144 0.000 0.849 573 G HN 0.396 nan 8.290 nan 0.000 0.595 574 F N 1.206 121.259 119.950 0.172 0.000 1.951 574 F HA 0.617 5.143 4.527 -0.003 0.000 0.206 574 F C 1.844 177.713 175.800 0.116 0.000 0.871 574 F CA 1.025 59.118 58.000 0.154 0.000 1.173 574 F CB -0.649 38.449 39.000 0.164 0.000 2.060 574 F HN 1.557 nan 8.300 nan 0.000 0.568 575 S N -2.144 113.760 115.700 0.341 0.000 2.636 575 S HA 0.343 4.811 4.470 -0.003 0.000 0.266 575 S C -0.374 174.330 174.600 0.173 0.000 1.116 575 S CA -0.835 57.487 58.200 0.203 0.000 0.893 575 S CB 0.355 63.655 63.200 0.166 0.000 1.171 575 S HN 0.272 nan 8.310 nan 0.000 0.482 576 L N 1.828 123.125 121.223 0.123 0.000 1.883 576 L HA 0.363 4.701 4.340 -0.003 0.000 0.221 576 L C 2.309 179.223 176.870 0.073 0.000 1.122 576 L CA 1.995 56.890 54.840 0.092 0.000 1.006 576 L CB -1.561 40.543 42.059 0.075 0.000 0.960 576 L HN 0.970 nan 8.230 nan 0.000 0.533 577 E N 0.060 120.293 120.200 0.056 0.000 2.535 577 E HA -0.377 3.971 4.350 -0.003 0.000 0.249 577 E C 2.067 178.690 176.600 0.038 0.000 1.106 577 E CA 2.416 58.840 56.400 0.039 0.000 1.212 577 E CB -1.288 28.435 29.700 0.039 0.000 1.058 577 E HN 0.673 nan 8.360 nan 0.000 0.469 578 S N -0.092 115.641 115.700 0.055 0.000 2.378 578 S HA -0.304 4.164 4.470 -0.003 0.000 0.221 578 S C 2.499 177.089 174.600 -0.017 0.000 1.037 578 S CA 1.869 60.078 58.200 0.016 0.000 1.069 578 S CB -1.450 61.766 63.200 0.026 0.000 1.006 578 S HN 0.722 nan 8.310 nan 0.000 0.423 579 C N 2.388 121.692 119.300 0.007 0.000 2.411 579 C HA 0.180 4.639 4.460 -0.003 0.000 0.279 579 C C 2.910 177.910 174.990 0.017 0.000 1.288 579 C CA 1.456 60.478 59.018 0.006 0.000 1.764 579 C CB -1.538 26.248 27.740 0.076 0.000 1.974 579 C HN 0.717 nan 8.230 nan 0.000 0.498 580 R N 0.384 120.898 120.500 0.024 0.000 2.096 580 R HA -0.115 4.223 4.340 -0.003 0.000 0.235 580 R C 2.486 178.793 176.300 0.011 0.000 1.127 580 R CA 1.725 57.838 56.100 0.021 0.000 0.968 580 R CB -0.060 30.251 30.300 0.019 0.000 0.861 580 R HN 0.582 nan 8.270 nan 0.000 0.440 581 S N 0.326 116.027 115.700 0.001 0.000 2.414 581 S HA -0.034 4.435 4.470 -0.003 0.000 0.227 581 S C 1.626 176.220 174.600 -0.011 0.000 1.022 581 S CA 0.513 58.711 58.200 -0.004 0.000 0.958 581 S CB 0.026 63.219 63.200 -0.011 0.000 0.797 581 S HN 0.270 nan 8.310 nan 0.000 0.493 582 M N 1.208 120.789 119.600 -0.032 0.000 2.610 582 M HA -0.074 4.405 4.480 -0.003 0.000 0.257 582 M C 0.206 176.512 176.300 0.010 0.000 1.070 582 M CA 0.810 56.091 55.300 -0.033 0.000 1.047 582 M CB 0.098 32.655 32.600 -0.072 0.000 1.386 582 M HN 0.158 nan 8.290 nan 0.000 0.493 583 V N -1.069 118.858 119.914 0.022 0.000 3.087 583 V HA 0.294 4.413 4.120 -0.003 0.000 0.306 583 V C 0.186 176.299 176.094 0.032 0.000 1.187 583 V CA -0.210 62.113 62.300 0.038 0.000 0.999 583 V CB 1.842 33.694 31.823 0.049 0.000 1.049 583 V HN 0.557 nan 8.190 nan 0.000 0.431 584 N N 0.809 119.531 118.700 0.036 0.000 2.649 584 N HA -0.239 4.500 4.740 -0.003 0.000 0.214 584 N C 0.812 176.356 175.510 0.057 0.000 1.042 584 N CA 1.641 54.714 53.050 0.040 0.000 1.906 584 N CB -0.710 37.796 38.487 0.031 0.000 0.898 584 N HN 0.637 nan 8.380 nan 0.000 0.532 585 L N 1.788 123.040 121.223 0.049 0.000 1.882 585 L HA 0.026 4.364 4.340 -0.003 0.000 0.222 585 L C 1.700 178.601 176.870 0.052 0.000 1.095 585 L CA 1.772 56.644 54.840 0.054 0.000 0.794 585 L CB -0.807 41.274 42.059 0.036 0.000 0.886 585 L HN 0.215 nan 8.230 nan 0.000 0.429 586 M N 0.419 120.041 119.600 0.038 0.000 1.667 586 M HA -0.148 4.330 4.480 -0.003 0.000 0.074 586 M C 0.515 176.840 176.300 0.042 0.000 0.928 586 M CA 1.345 56.666 55.300 0.035 0.000 0.251 586 M CB -1.690 30.930 32.600 0.033 0.000 0.512 586 M HN 0.811 nan 8.290 nan 0.000 0.156 595 G N -1.134 107.691 108.800 0.040 0.000 2.405 595 G HA2 0.568 4.527 3.960 -0.003 0.000 0.312 595 G HA3 0.568 4.527 3.960 -0.003 0.000 0.312 595 G C -0.354 174.609 174.900 0.104 0.000 1.579 595 G CA 0.061 45.206 45.100 0.075 0.000 0.933 595 G HN 0.975 nan 8.290 nan 0.000 0.628 596 L N 1.794 123.055 121.223 0.063 0.000 2.554 596 L HA 0.594 4.933 4.340 -0.003 0.000 0.226 596 L C 1.984 178.924 176.870 0.117 0.000 1.137 596 L CA 2.053 56.933 54.840 0.067 0.000 0.863 596 L CB -0.322 41.752 42.059 0.025 0.000 0.985 596 L HN 0.945 nan 8.230 nan 0.000 0.451 597 V N -1.868 118.112 119.914 0.110 0.000 3.102 597 V HA 0.081 4.199 4.120 -0.003 0.000 0.225 597 V C 2.531 178.664 176.094 0.065 0.000 1.301 597 V CA 1.304 63.652 62.300 0.079 0.000 1.308 597 V CB 0.829 32.682 31.823 0.050 0.000 1.129 597 V HN 0.547 nan 8.190 nan 0.000 0.502 598 E N 0.828 121.069 120.200 0.068 0.000 2.065 598 E HA -0.287 4.061 4.350 -0.003 0.000 0.201 598 E C 1.805 178.431 176.600 0.043 0.000 1.016 598 E CA 2.268 58.699 56.400 0.051 0.000 0.818 598 E CB -0.945 28.793 29.700 0.063 0.000 0.749 598 E HN 0.637 nan 8.360 nan 0.000 0.453 599 F N 2.014 121.975 119.950 0.019 0.000 2.087 599 F HA -0.308 4.217 4.527 -0.003 0.000 0.299 599 F C 1.995 177.839 175.800 0.074 0.000 1.100 599 F CA 2.040 60.062 58.000 0.037 0.000 1.226 599 F CB -0.586 38.426 39.000 0.020 0.000 0.983 599 F HN 0.110 nan 8.300 nan 0.000 0.479 600 N N 0.405 119.084 118.700 -0.036 0.000 2.027 600 N HA -0.263 4.476 4.740 -0.003 0.000 0.200 600 N C 1.778 177.218 175.510 -0.116 0.000 1.042 600 N CA 1.993 55.017 53.050 -0.044 0.000 0.871 600 N CB -0.302 38.210 38.487 0.043 0.000 1.063 600 N HN 0.227 nan 8.380 nan 0.000 0.438 601 I N 1.388 121.902 120.570 -0.095 0.000 3.241 601 I HA -0.128 4.040 4.170 -0.003 0.000 0.280 601 I C 1.956 177.954 176.117 -0.199 0.000 1.320 601 I CA 0.375 61.606 61.300 -0.114 0.000 1.413 601 I CB -0.817 37.139 38.000 -0.074 0.000 1.060 601 I HN 0.357 nan 8.210 nan 0.000 0.500 602 L N 0.355 121.386 121.223 -0.321 0.000 2.095 602 L HA -0.108 4.230 4.340 -0.003 0.000 0.204 602 L C 2.206 178.852 176.870 -0.373 0.000 1.080 602 L CA 1.621 56.248 54.840 -0.354 0.000 0.759 602 L CB -0.757 41.066 42.059 -0.394 0.000 0.914 602 L HN 0.351 nan 8.230 nan 0.000 0.439 603 W N 0.342 121.341 121.300 -0.502 0.000 2.525 603 W HA -0.154 4.504 4.660 -0.003 0.000 0.259 603 W C 1.882 178.309 176.519 -0.153 0.000 1.253 603 W CA 0.790 57.969 57.345 -0.277 0.000 1.262 603 W CB -0.185 29.143 29.460 -0.221 0.000 1.122 603 W HN 0.341 nan 8.180 nan 0.000 0.607 604 N N 0.837 119.401 118.700 -0.227 0.000 2.028 604 N HA -0.178 4.561 4.740 -0.003 0.000 0.194 604 N C 1.765 177.088 175.510 -0.311 0.000 1.050 604 N CA 1.713 54.642 53.050 -0.200 0.000 0.848 604 N CB -0.665 37.744 38.487 -0.131 0.000 1.038 604 N HN 0.141 nan 8.380 nan 0.000 0.423 605 R N 0.945 121.217 120.500 -0.381 0.000 2.249 605 R HA -0.158 4.180 4.340 -0.003 0.000 0.229 605 R C 2.379 178.216 176.300 -0.772 0.000 1.104 605 R CA 1.801 57.532 56.100 -0.615 0.000 0.876 605 R CB -0.793 29.176 30.300 -0.553 0.000 0.871 605 R HN 0.242 nan 8.270 nan 0.000 0.426 606 I N 0.054 120.256 120.570 -0.613 0.000 2.315 606 I HA -0.359 3.809 4.170 -0.003 0.000 0.251 606 I C 2.820 178.713 176.117 -0.373 0.000 1.125 606 I CA 1.351 62.400 61.300 -0.418 0.000 1.392 606 I CB -0.294 37.389 38.000 -0.528 0.000 1.065 606 I HN 0.287 nan 8.210 nan 0.000 0.424 607 R N 0.900 121.070 120.500 -0.550 0.000 2.056 607 R HA -0.184 4.155 4.340 -0.003 0.000 0.227 607 R C 2.264 178.499 176.300 -0.108 0.000 1.149 607 R CA 1.643 57.551 56.100 -0.319 0.000 0.937 607 R CB -0.454 29.734 30.300 -0.187 0.000 0.835 607 R HN 0.355 nan 8.270 nan 0.000 0.430 608 N N -0.242 118.359 118.700 -0.165 0.000 2.089 608 N HA -0.268 4.470 4.740 -0.003 0.000 0.198 608 N C 1.637 177.175 175.510 0.046 0.000 1.017 608 N CA 2.114 55.100 53.050 -0.107 0.000 0.880 608 N CB -0.245 38.112 38.487 -0.217 0.000 1.042 608 N HN 0.256 nan 8.380 nan 0.000 0.446 609 Y N 1.035 121.408 120.300 0.121 0.000 2.274 609 Y HA -0.148 4.400 4.550 -0.003 0.000 0.290 609 Y C 2.348 178.589 175.900 0.569 0.000 1.145 609 Y CA 0.940 59.211 58.100 0.284 0.000 1.203 609 Y CB -0.829 37.668 38.460 0.062 0.000 0.984 609 Y HN 0.231 nan 8.280 nan 0.000 0.533 610 L N -2.425 119.166 121.223 0.612 0.000 2.179 610 L HA 0.046 4.384 4.340 -0.003 0.000 0.208 610 L C 1.876 178.937 176.870 0.318 0.000 1.096 610 L CA 1.819 56.993 54.840 0.557 0.000 0.779 610 L CB -1.817 40.298 42.059 0.094 0.000 0.922 610 L HN -0.089 nan 8.230 nan 0.000 0.443 611 T N 0.601 115.292 114.554 0.228 0.000 2.822 611 T HA -0.170 4.179 4.350 -0.003 0.000 0.270 611 T C 2.158 176.967 174.700 0.181 0.000 1.064 611 T CA 2.680 64.884 62.100 0.174 0.000 1.131 611 T CB -0.905 68.033 68.868 0.117 0.000 0.858 611 T HN 0.547 nan 8.240 nan 0.000 0.483 612 I N -0.303 120.411 120.570 0.240 0.000 2.628 612 I HA 0.396 4.564 4.170 -0.003 0.000 0.255 612 I C 2.172 178.327 176.117 0.062 0.000 1.119 612 I CA 0.459 61.854 61.300 0.158 0.000 1.448 612 I CB -1.418 36.741 38.000 0.266 0.000 1.133 612 I HN 0.279 nan 8.210 nan 0.000 0.438 613 F N 1.530 121.439 119.950 -0.069 0.000 2.115 613 F HA -0.258 4.267 4.527 -0.003 0.000 0.300 613 F C 2.579 178.392 175.800 0.021 0.000 1.092 613 F CA 2.281 60.150 58.000 -0.217 0.000 1.245 613 F CB -0.006 38.961 39.000 -0.054 0.000 0.995 613 F HN 0.136 nan 8.300 nan 0.000 0.481 614 R N 0.748 121.438 120.500 0.316 0.000 2.189 614 R HA -0.014 4.324 4.340 -0.003 0.000 0.218 614 R C 1.647 178.017 176.300 0.117 0.000 1.074 614 R CA 0.777 57.011 56.100 0.224 0.000 0.991 614 R CB -0.798 29.624 30.300 0.202 0.000 0.883 614 R HN 0.323 nan 8.270 nan 0.000 0.457 615 K N -0.645 119.823 120.400 0.113 0.000 2.569 615 K HA 0.029 4.348 4.320 -0.003 0.000 0.193 615 K C 0.202 176.936 176.600 0.224 0.000 1.026 615 K CA 0.383 56.743 56.287 0.121 0.000 1.093 615 K CB 0.118 32.679 32.500 0.102 0.000 0.849 615 K HN 0.136 nan 8.250 nan 0.000 0.509 616 F N 0.062 119.894 119.950 -0.197 0.000 2.856 616 F HA 0.073 4.598 4.527 -0.003 0.000 0.333 616 F C -0.494 175.030 175.800 -0.459 0.000 1.200 616 F CA -0.385 57.416 58.000 -0.332 0.000 1.128 616 F CB 1.096 39.822 39.000 -0.456 0.000 1.172 616 F HN -0.115 nan 8.300 nan 0.000 0.511 617 D N 0.360 120.642 120.400 -0.197 0.000 4.569 617 D HA 0.039 4.678 4.640 -0.003 0.000 0.176 617 D C 0.975 177.277 176.300 0.005 0.000 1.237 617 D CA 0.339 54.265 54.000 -0.123 0.000 1.009 617 D CB -0.513 40.238 40.800 -0.081 0.000 1.341 617 D HN 0.053 nan 8.370 nan 0.000 0.874 618 L N 0.409 121.632 121.223 0.001 0.000 2.772 618 L HA 0.066 4.405 4.340 -0.003 0.000 0.243 618 L C 0.716 177.600 176.870 0.023 0.000 1.187 618 L CA 1.787 56.641 54.840 0.024 0.000 0.844 618 L CB -1.279 40.790 42.059 0.016 0.000 0.985 618 L HN 0.391 nan 8.230 nan 0.000 0.459 619 D N -1.682 118.731 120.400 0.022 0.000 2.453 619 D HA 0.408 5.046 4.640 -0.003 0.000 0.238 619 D C 0.400 176.734 176.300 0.057 0.000 1.088 619 D CA -0.256 53.764 54.000 0.033 0.000 0.854 619 D CB 0.652 41.465 40.800 0.022 0.000 1.076 619 D HN 0.468 nan 8.370 nan 0.000 0.533 620 K N 1.515 121.952 120.400 0.061 0.000 3.858 620 K HA -0.060 4.258 4.320 -0.003 0.000 0.243 620 K C 0.767 177.406 176.600 0.064 0.000 0.990 620 K CA 1.207 57.531 56.287 0.062 0.000 1.078 620 K CB -1.948 30.577 32.500 0.041 0.000 1.735 620 K HN 0.684 nan 8.250 nan 0.000 0.433 621 S N -0.547 115.209 115.700 0.093 0.000 2.589 621 S HA 0.398 4.867 4.470 -0.003 0.000 0.235 621 S C 1.870 176.542 174.600 0.121 0.000 1.051 621 S CA 0.688 58.947 58.200 0.098 0.000 0.978 621 S CB 0.147 63.403 63.200 0.093 0.000 0.929 621 S HN 2.193 nan 8.310 nan 0.000 0.523 622 G N 1.138 110.023 108.800 0.142 0.000 2.296 622 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.282 622 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.282 622 G C 0.064 175.162 174.900 0.328 0.000 1.014 622 G CA 0.690 45.879 45.100 0.148 0.000 0.812 622 G HN 0.809 nan 8.290 nan 0.000 0.508 623 S N -1.794 114.214 115.700 0.515 0.000 2.615 623 S HA 0.752 5.220 4.470 -0.003 0.000 0.269 623 S C 0.372 175.108 174.600 0.227 0.000 1.161 623 S CA -0.194 58.322 58.200 0.525 0.000 0.817 623 S CB 1.842 65.190 63.200 0.247 0.000 1.131 623 S HN 0.700 nan 8.310 nan 0.000 0.467 624 M N -0.064 119.596 119.600 0.100 0.000 2.319 624 M HA 0.825 5.304 4.480 -0.003 0.000 0.215 624 M C -0.184 176.107 176.300 -0.016 0.000 1.410 624 M CA -0.534 54.700 55.300 -0.110 0.000 1.874 624 M CB 0.268 32.678 32.600 -0.317 0.000 1.141 624 M HN 0.458 nan 8.290 nan 0.000 0.907 625 S N -0.759 114.954 115.700 0.023 0.000 2.546 625 S HA 0.570 5.038 4.470 -0.003 0.000 0.303 625 S C -0.216 174.435 174.600 0.084 0.000 1.067 625 S CA -0.166 58.066 58.200 0.053 0.000 0.944 625 S CB 1.194 64.439 63.200 0.075 0.000 1.155 625 S HN 0.790 nan 8.310 nan 0.000 0.449 626 A N 3.656 126.492 122.820 0.027 0.000 2.015 626 A HA 0.062 4.380 4.320 -0.003 0.000 0.219 626 A C 1.223 178.820 177.584 0.023 0.000 1.163 626 A CA 1.262 53.322 52.037 0.037 0.000 0.646 626 A CB -0.899 18.089 19.000 -0.021 0.000 0.806 626 A HN 0.949 nan 8.150 nan 0.000 0.448 627 Y N -0.612 119.710 120.300 0.037 0.000 2.723 627 Y HA -0.189 4.359 4.550 -0.003 0.000 0.286 627 Y C 2.198 178.152 175.900 0.091 0.000 1.159 627 Y CA 1.310 59.400 58.100 -0.017 0.000 1.442 627 Y CB -0.030 38.407 38.460 -0.039 0.000 0.959 627 Y HN 0.409 nan 8.280 nan 0.000 0.581 628 E N -2.117 118.268 120.200 0.308 0.000 2.474 628 E HA 0.025 4.374 4.350 -0.003 0.000 0.215 628 E C 1.909 178.851 176.600 0.570 0.000 0.867 628 E CA -0.095 56.577 56.400 0.453 0.000 1.135 628 E CB -0.007 29.751 29.700 0.098 0.000 1.147 628 E HN 0.153 nan 8.360 nan 0.000 0.534 629 M N 0.671 120.515 119.600 0.407 0.000 2.108 629 M HA -0.251 4.227 4.480 -0.003 0.000 0.257 629 M C 2.033 178.508 176.300 0.292 0.000 1.071 629 M CA 1.492 57.000 55.300 0.346 0.000 1.093 629 M CB -0.439 32.310 32.600 0.249 0.000 1.345 629 M HN 0.131 nan 8.290 nan 0.000 0.403 630 R N 0.699 121.352 120.500 0.256 0.000 2.261 630 R HA -0.221 4.117 4.340 -0.003 0.000 0.241 630 R C 0.864 177.296 176.300 0.220 0.000 1.113 630 R CA 2.332 58.493 56.100 0.102 0.000 0.908 630 R CB -0.649 29.621 30.300 -0.050 0.000 0.938 630 R HN 0.426 nan 8.270 nan 0.000 0.427 631 M N -1.941 117.847 119.600 0.313 0.000 3.028 631 M HA 0.475 4.953 4.480 -0.003 0.000 0.296 631 M C -0.117 176.164 176.300 -0.032 0.000 1.314 631 M CA -0.507 54.919 55.300 0.210 0.000 1.383 631 M CB 0.539 33.241 32.600 0.169 0.000 1.128 631 M HN 0.240 nan 8.290 nan 0.000 0.544 632 A N 1.786 124.557 122.820 -0.081 0.000 2.011 632 A HA 0.215 4.534 4.320 -0.003 0.000 0.183 632 A C 1.290 178.898 177.584 0.041 0.000 2.000 632 A CA 0.129 52.030 52.037 -0.227 0.000 1.623 632 A CB -0.548 18.110 19.000 -0.570 0.000 1.510 632 A HN 0.532 nan 8.150 nan 0.000 0.297 633 I N 1.127 121.759 120.570 0.103 0.000 2.335 633 I HA -0.245 3.923 4.170 -0.003 0.000 0.251 633 I C 2.251 178.464 176.117 0.160 0.000 1.129 633 I CA 1.897 63.267 61.300 0.116 0.000 1.402 633 I CB -0.252 37.806 38.000 0.097 0.000 1.069 633 I HN 0.480 nan 8.210 nan 0.000 0.424 634 E N 0.929 121.207 120.200 0.130 0.000 2.077 634 E HA -0.207 4.142 4.350 -0.003 0.000 0.193 634 E C 2.395 179.019 176.600 0.040 0.000 0.989 634 E CA 1.251 57.704 56.400 0.089 0.000 0.800 634 E CB -0.145 29.604 29.700 0.082 0.000 0.746 634 E HN 0.530 nan 8.360 nan 0.000 0.452 635 A N 1.087 123.926 122.820 0.031 0.000 1.933 635 A HA -0.098 4.221 4.320 -0.003 0.000 0.218 635 A C 2.260 179.870 177.584 0.042 0.000 1.175 635 A CA 1.605 53.655 52.037 0.021 0.000 0.628 635 A CB -0.447 18.556 19.000 0.005 0.000 0.814 635 A HN 0.290 nan 8.150 nan 0.000 0.444 636 A N -2.071 120.802 122.820 0.088 0.000 2.235 636 A HA 0.404 4.722 4.320 -0.003 0.000 0.208 636 A C 1.722 179.272 177.584 -0.057 0.000 1.172 636 A CA 1.283 53.388 52.037 0.114 0.000 0.786 636 A CB -0.782 18.334 19.000 0.194 0.000 0.804 636 A HN 1.884 nan 8.150 nan 0.000 0.479 637 G N -2.398 106.336 108.800 -0.109 0.000 2.163 637 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.213 637 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.213 637 G C -0.169 174.447 174.900 -0.474 0.000 0.991 637 G CA -0.084 44.837 45.100 -0.298 0.000 0.653 637 G HN 0.304 nan 8.290 nan 0.000 0.518 638 F N 1.073 120.971 119.950 -0.087 0.000 2.421 638 F HA 0.728 5.254 4.527 -0.003 0.000 0.337 638 F C 0.520 176.306 175.800 -0.023 0.000 1.105 638 F CA -0.093 57.855 58.000 -0.087 0.000 1.049 638 F CB 1.800 40.770 39.000 -0.049 0.000 1.139 638 F HN 0.273 nan 8.300 nan 0.000 0.479 639 K N 4.194 124.701 120.400 0.179 0.000 2.376 639 K HA 0.869 5.187 4.320 -0.003 0.000 0.257 639 K C -1.556 175.118 176.600 0.123 0.000 0.939 639 K CA -0.567 55.801 56.287 0.136 0.000 0.809 639 K CB 0.976 33.517 32.500 0.069 0.000 1.121 639 K HN 0.697 nan 8.250 nan 0.000 0.425 640 L N 1.880 123.150 121.223 0.079 0.000 2.350 640 L HA 0.700 5.038 4.340 -0.003 0.000 0.260 640 L C -2.625 174.243 176.870 -0.003 0.000 1.015 640 L CA -2.371 52.433 54.840 -0.061 0.000 0.821 640 L CB 2.660 44.527 42.059 -0.321 0.000 1.370 640 L HN 0.408 nan 8.230 nan 0.000 0.416 641 P HA 0.194 nan 4.420 nan 0.000 0.281 641 P C 0.188 177.539 177.300 0.086 0.000 1.249 641 P CA -0.662 62.454 63.100 0.027 0.000 0.810 641 P CB 0.855 32.543 31.700 -0.019 0.000 1.008 642 C N 0.666 120.037 119.300 0.117 0.000 2.396 642 C HA -0.242 4.216 4.460 -0.003 0.000 0.277 642 C C 2.355 177.382 174.990 0.061 0.000 1.231 642 C CA 0.764 59.872 59.018 0.151 0.000 1.775 642 C CB -1.859 25.911 27.740 0.051 0.000 2.036 642 C HN 0.681 nan 8.230 nan 0.000 0.484 643 Q N 1.501 121.299 119.800 -0.004 0.000 2.028 643 Q HA -0.279 4.059 4.340 -0.003 0.000 0.213 643 Q C 2.024 177.968 176.000 -0.094 0.000 1.017 643 Q CA 2.076 57.844 55.803 -0.057 0.000 0.875 643 Q CB -0.779 27.919 28.738 -0.068 0.000 0.962 643 Q HN 0.636 nan 8.270 nan 0.000 0.413 644 L N -0.057 121.089 121.223 -0.128 0.000 2.211 644 L HA -0.262 4.076 4.340 -0.003 0.000 0.216 644 L C 2.337 179.090 176.870 -0.195 0.000 1.092 644 L CA 1.285 56.006 54.840 -0.199 0.000 0.767 644 L CB -0.567 41.337 42.059 -0.259 0.000 0.894 644 L HN 0.427 nan 8.230 nan 0.000 0.437 645 H N -1.504 117.521 119.070 -0.075 0.000 2.563 645 H HA 0.053 4.608 4.556 -0.003 0.000 0.264 645 H C 1.786 177.071 175.328 -0.072 0.000 0.957 645 H CA 0.331 56.343 56.048 -0.059 0.000 1.173 645 H CB 0.398 30.127 29.762 -0.054 0.000 1.420 645 H HN 0.548 nan 8.280 nan 0.000 0.551 646 Q N 0.652 120.457 119.800 0.009 0.000 1.775 646 Q HA -0.078 4.260 4.340 -0.003 0.000 0.303 646 Q C 2.552 178.452 176.000 -0.166 0.000 0.954 646 Q CA 1.369 57.124 55.803 -0.080 0.000 0.883 646 Q CB -0.313 28.359 28.738 -0.110 0.000 0.916 646 Q HN 0.216 nan 8.270 nan 0.000 0.427 647 V N -0.113 119.622 119.914 -0.298 0.000 2.295 647 V HA -0.412 3.706 4.120 -0.003 0.000 0.261 647 V C 2.021 178.055 176.094 -0.099 0.000 1.097 647 V CA 2.254 64.347 62.300 -0.345 0.000 1.100 647 V CB -1.363 30.326 31.823 -0.224 0.000 0.737 647 V HN 0.444 nan 8.190 nan 0.000 0.458 648 I N -0.183 120.380 120.570 -0.013 0.000 2.077 648 I HA -0.307 3.861 4.170 -0.003 0.000 0.231 648 I C 2.591 178.821 176.117 0.187 0.000 1.011 648 I CA 2.785 64.165 61.300 0.134 0.000 1.304 648 I CB -0.603 37.409 38.000 0.019 0.000 1.019 648 I HN 0.329 nan 8.210 nan 0.000 0.388 649 V N 1.157 121.129 119.914 0.095 0.000 2.215 649 V HA -0.399 3.719 4.120 -0.003 0.000 0.249 649 V C 2.646 178.755 176.094 0.025 0.000 1.054 649 V CA 2.465 64.802 62.300 0.063 0.000 1.012 649 V CB -1.280 30.534 31.823 -0.015 0.000 0.639 649 V HN 0.659 nan 8.190 nan 0.000 0.448 650 A N -0.466 122.326 122.820 -0.045 0.000 2.032 650 A HA -0.303 4.015 4.320 -0.003 0.000 0.221 650 A C 2.395 179.984 177.584 0.009 0.000 1.165 650 A CA 2.430 54.437 52.037 -0.050 0.000 0.645 650 A CB -0.596 18.299 19.000 -0.174 0.000 0.807 650 A HN 0.609 nan 8.150 nan 0.000 0.453 651 R N -2.508 117.984 120.500 -0.013 0.000 2.206 651 R HA 0.170 4.509 4.340 -0.003 0.000 0.198 651 R C 0.685 176.812 176.300 -0.287 0.000 0.986 651 R CA 0.551 56.560 56.100 -0.151 0.000 1.029 651 R CB -0.043 30.088 30.300 -0.281 0.000 0.966 651 R HN 0.420 nan 8.270 nan 0.000 0.487 652 F N 0.615 120.568 119.950 0.006 0.000 2.641 652 F HA 0.442 4.967 4.527 -0.003 0.000 0.302 652 F C 0.190 176.011 175.800 0.036 0.000 1.098 652 F CA -0.310 57.697 58.000 0.012 0.000 1.318 652 F CB 1.274 40.271 39.000 -0.005 0.000 1.035 652 F HN 0.013 nan 8.300 nan 0.000 0.551 653 A N 0.262 123.176 122.820 0.157 0.000 2.359 653 A HA 0.539 4.857 4.320 -0.003 0.000 0.303 653 A C -0.127 177.495 177.584 0.063 0.000 1.066 653 A CA -0.150 51.958 52.037 0.117 0.000 0.730 653 A CB -0.223 18.833 19.000 0.093 0.000 1.211 653 A HN 0.251 nan 8.150 nan 0.000 0.439 654 D N 1.371 121.814 120.400 0.073 0.000 2.309 654 D HA 0.015 4.654 4.640 -0.003 0.000 0.232 654 D C 0.522 176.843 176.300 0.035 0.000 1.319 654 D CA 1.309 55.342 54.000 0.055 0.000 0.884 654 D CB 0.020 40.861 40.800 0.068 0.000 1.237 654 D HN 0.714 nan 8.370 nan 0.000 0.507 655 D N -0.996 119.426 120.400 0.036 0.000 2.178 655 D HA -0.045 4.593 4.640 -0.003 0.000 0.202 655 D C 1.844 178.163 176.300 0.032 0.000 0.974 655 D CA 0.983 55.003 54.000 0.032 0.000 0.841 655 D CB 0.383 41.205 40.800 0.036 0.000 0.953 655 D HN 0.414 nan 8.370 nan 0.000 0.478 656 E N -0.531 119.691 120.200 0.038 0.000 2.022 656 E HA 0.070 4.418 4.350 -0.003 0.000 0.190 656 E C 1.137 177.756 176.600 0.031 0.000 0.973 656 E CA 1.008 57.431 56.400 0.039 0.000 0.816 656 E CB 0.399 30.127 29.700 0.047 0.000 0.781 656 E HN 0.263 nan 8.360 nan 0.000 0.456 657 L N -2.696 118.546 121.223 0.031 0.000 5.779 657 L HA 0.376 4.714 4.340 -0.003 0.000 0.585 657 L C -0.182 176.698 176.870 0.016 0.000 0.604 657 L CA -0.048 54.798 54.840 0.010 0.000 2.463 657 L CB 0.154 42.229 42.059 0.028 0.000 1.850 657 L HN -0.059 nan 8.230 nan 0.000 0.564 658 I N 1.339 121.941 120.570 0.054 0.000 2.651 658 I HA 0.733 4.902 4.170 -0.003 0.000 0.287 658 I C -0.845 175.345 176.117 0.122 0.000 1.244 658 I CA -0.513 60.838 61.300 0.085 0.000 1.061 658 I CB 1.904 39.957 38.000 0.089 0.000 1.286 658 I HN 0.082 nan 8.210 nan 0.000 0.434 659 I N 4.571 125.238 120.570 0.161 0.000 2.385 659 I HA 0.614 4.783 4.170 -0.003 0.000 0.294 659 I C -0.329 175.972 176.117 0.307 0.000 0.988 659 I CA -0.367 61.064 61.300 0.218 0.000 1.265 659 I CB 1.224 39.364 38.000 0.233 0.000 1.388 659 I HN 0.611 nan 8.210 nan 0.000 0.480 660 D N 2.665 123.244 120.400 0.298 0.000 2.326 660 D HA 0.355 4.993 4.640 -0.003 0.000 0.251 660 D C 0.682 177.176 176.300 0.324 0.000 1.023 660 D CA -0.677 53.511 54.000 0.313 0.000 0.966 660 D CB 0.945 41.866 40.800 0.202 0.000 1.156 660 D HN 0.566 nan 8.370 nan 0.000 0.494 661 F N 0.673 120.580 119.950 -0.073 0.000 2.087 661 F HA -0.316 4.209 4.527 -0.003 0.000 0.299 661 F C 1.898 177.811 175.800 0.189 0.000 1.100 661 F CA 2.458 60.384 58.000 -0.123 0.000 1.226 661 F CB -0.124 38.543 39.000 -0.555 0.000 0.983 661 F HN 0.503 nan 8.300 nan 0.000 0.479 662 D N 0.197 120.769 120.400 0.288 0.000 2.154 662 D HA -0.279 4.359 4.640 -0.003 0.000 0.190 662 D C 1.679 178.043 176.300 0.106 0.000 1.003 662 D CA 2.428 56.598 54.000 0.284 0.000 0.849 662 D CB -0.610 40.351 40.800 0.268 0.000 0.942 662 D HN 0.453 nan 8.370 nan 0.000 0.446 663 N N -1.374 117.405 118.700 0.131 0.000 2.305 663 N HA 0.017 4.755 4.740 -0.003 0.000 0.179 663 N C 1.397 176.866 175.510 -0.068 0.000 1.019 663 N CA 0.361 53.478 53.050 0.111 0.000 0.869 663 N CB -0.427 38.214 38.487 0.255 0.000 1.000 663 N HN 0.078 nan 8.380 nan 0.000 0.431 664 F N 1.692 121.576 119.950 -0.111 0.000 2.064 664 F HA -0.313 4.212 4.527 -0.003 0.000 0.293 664 F C 1.918 177.433 175.800 -0.475 0.000 1.086 664 F CA 1.928 59.803 58.000 -0.208 0.000 1.242 664 F CB -0.687 38.293 39.000 -0.034 0.000 0.970 664 F HN 0.022 nan 8.300 nan 0.000 0.494 665 V N -2.593 116.938 119.914 -0.639 0.000 3.644 665 V HA 0.334 4.453 4.120 -0.003 0.000 0.267 665 V C 2.086 177.744 176.094 -0.728 0.000 1.277 665 V CA 1.026 62.749 62.300 -0.963 0.000 1.096 665 V CB -0.800 30.558 31.823 -0.774 0.000 0.828 665 V HN 0.326 nan 8.190 nan 0.000 0.446 666 R N -0.433 119.756 120.500 -0.518 0.000 2.153 666 R HA 0.035 4.374 4.340 -0.003 0.000 0.218 666 R C 2.114 178.090 176.300 -0.541 0.000 1.072 666 R CA 1.611 57.512 56.100 -0.332 0.000 0.990 666 R CB -1.627 28.637 30.300 -0.061 0.000 0.889 666 R HN 0.707 nan 8.270 nan 0.000 0.452 667 C N 0.066 118.778 119.300 -0.981 0.000 2.548 667 C HA 0.100 4.559 4.460 -0.003 0.000 0.284 667 C C 2.554 177.057 174.990 -0.812 0.000 1.252 667 C CA 0.993 59.296 59.018 -1.192 0.000 1.725 667 C CB -1.008 25.937 27.740 -1.326 0.000 2.098 667 C HN 0.707 nan 8.230 nan 0.000 0.471 668 L N 1.000 121.632 121.223 -0.984 0.000 1.976 668 L HA -0.237 4.101 4.340 -0.003 0.000 0.223 668 L C 2.791 179.320 176.870 -0.569 0.000 1.081 668 L CA 2.550 56.849 54.840 -0.902 0.000 0.784 668 L CB -1.494 39.786 42.059 -1.297 0.000 0.896 668 L HN 0.539 nan 8.230 nan 0.000 0.438 669 V N 0.227 119.846 119.914 -0.491 0.000 2.233 669 V HA -0.430 3.689 4.120 -0.003 0.000 0.252 669 V C 2.715 178.730 176.094 -0.133 0.000 1.063 669 V CA 3.307 65.507 62.300 -0.167 0.000 1.032 669 V CB -0.834 30.923 31.823 -0.110 0.000 0.645 669 V HN 0.423 nan 8.190 nan 0.000 0.446 670 R N -0.850 119.546 120.500 -0.173 0.000 2.096 670 R HA -0.184 4.154 4.340 -0.003 0.000 0.240 670 R C 2.107 178.339 176.300 -0.114 0.000 1.139 670 R CA 2.146 58.187 56.100 -0.098 0.000 0.952 670 R CB -0.700 29.570 30.300 -0.049 0.000 0.854 670 R HN 0.654 nan 8.270 nan 0.000 0.436 671 L N 1.165 122.245 121.223 -0.239 0.000 1.971 671 L HA -0.224 4.115 4.340 -0.003 0.000 0.215 671 L C 2.248 179.113 176.870 -0.008 0.000 1.072 671 L CA 2.580 57.250 54.840 -0.285 0.000 0.758 671 L CB -0.970 40.694 42.059 -0.659 0.000 0.889 671 L HN 0.470 nan 8.230 nan 0.000 0.433 672 E N -0.229 120.012 120.200 0.070 0.000 2.072 672 E HA -0.328 4.021 4.350 -0.003 0.000 0.218 672 E C 2.092 178.850 176.600 0.264 0.000 1.051 672 E CA 2.917 59.536 56.400 0.365 0.000 0.880 672 E CB -0.507 29.375 29.700 0.304 0.000 0.783 672 E HN 0.555 nan 8.360 nan 0.000 0.473 673 I N 0.357 121.016 120.570 0.148 0.000 2.109 673 I HA -0.406 3.763 4.170 -0.003 0.000 0.233 673 I C 2.413 178.663 176.117 0.221 0.000 1.005 673 I CA 1.389 62.781 61.300 0.153 0.000 1.294 673 I CB -0.752 37.303 38.000 0.092 0.000 1.005 673 I HN 0.307 nan 8.210 nan 0.000 0.392 674 L N -0.266 121.058 121.223 0.168 0.000 2.058 674 L HA -0.308 4.030 4.340 -0.003 0.000 0.226 674 L C 2.529 179.631 176.870 0.386 0.000 1.089 674 L CA 2.265 57.240 54.840 0.225 0.000 0.799 674 L CB -1.856 40.163 42.059 -0.066 0.000 0.900 674 L HN 0.203 nan 8.230 nan 0.000 0.442 675 F N 0.123 120.217 119.950 0.241 0.000 2.102 675 F HA -0.232 4.293 4.527 -0.003 0.000 0.298 675 F C 2.637 178.590 175.800 0.255 0.000 1.105 675 F CA 2.270 60.410 58.000 0.234 0.000 1.239 675 F CB -0.812 38.309 39.000 0.201 0.000 0.991 675 F HN 0.160 nan 8.300 nan 0.000 0.474 676 K N 0.232 120.858 120.400 0.377 0.000 2.103 676 K HA -0.037 4.281 4.320 -0.003 0.000 0.204 676 K C 1.916 178.640 176.600 0.207 0.000 1.052 676 K CA 1.697 58.136 56.287 0.253 0.000 0.945 676 K CB -1.420 31.196 32.500 0.193 0.000 0.722 676 K HN 0.353 nan 8.250 nan 0.000 0.443 677 I N -0.651 120.048 120.570 0.215 0.000 2.394 677 I HA -0.106 4.062 4.170 -0.003 0.000 0.251 677 I C 2.325 178.369 176.117 -0.120 0.000 1.136 677 I CA 0.961 62.295 61.300 0.056 0.000 1.425 677 I CB -0.111 37.922 38.000 0.056 0.000 1.079 677 I HN 0.390 nan 8.210 nan 0.000 0.425 678 F N 1.804 121.699 119.950 -0.092 0.000 2.043 678 F HA -0.363 4.163 4.527 -0.003 0.000 0.297 678 F C 2.638 178.352 175.800 -0.144 0.000 1.118 678 F CA 2.168 60.022 58.000 -0.245 0.000 1.202 678 F CB -0.306 38.623 39.000 -0.119 0.000 0.965 678 F HN -0.110 nan 8.300 nan 0.000 0.482 679 K N -0.044 120.480 120.400 0.206 0.000 2.026 679 K HA -0.254 4.064 4.320 -0.003 0.000 0.208 679 K C 2.328 178.934 176.600 0.009 0.000 1.048 679 K CA 1.812 58.187 56.287 0.146 0.000 0.929 679 K CB -0.575 32.022 32.500 0.162 0.000 0.713 679 K HN 0.428 nan 8.250 nan 0.000 0.439 680 Q N 1.182 120.986 119.800 0.007 0.000 2.133 680 Q HA -0.167 4.171 4.340 -0.003 0.000 0.208 680 Q C 2.180 178.137 176.000 -0.072 0.000 0.991 680 Q CA 2.132 57.935 55.803 -0.000 0.000 0.867 680 Q CB -0.936 27.833 28.738 0.052 0.000 0.911 680 Q HN 0.505 nan 8.270 nan 0.000 0.417 681 L N -0.189 120.914 121.223 -0.200 0.000 2.240 681 L HA 0.072 4.410 4.340 -0.003 0.000 0.211 681 L C 1.136 177.832 176.870 -0.290 0.000 1.106 681 L CA 0.758 55.412 54.840 -0.310 0.000 0.793 681 L CB 0.238 41.960 42.059 -0.562 0.000 0.927 681 L HN 0.351 nan 8.230 nan 0.000 0.446 682 D N -0.482 119.766 120.400 -0.254 0.000 3.163 682 D HA 0.126 4.765 4.640 -0.003 0.000 0.284 682 D C -1.533 174.735 176.300 -0.053 0.000 1.368 682 D CA -2.041 51.861 54.000 -0.163 0.000 0.895 682 D CB 0.439 41.159 40.800 -0.134 0.000 1.061 682 D HN -0.042 nan 8.370 nan 0.000 0.496 683 P HA -0.169 nan 4.420 nan 0.000 0.213 683 P C 0.631 177.924 177.300 -0.012 0.000 1.170 683 P CA 1.202 64.288 63.100 -0.022 0.000 0.902 683 P CB 0.126 31.812 31.700 -0.024 0.000 0.789 684 E N -0.684 119.505 120.200 -0.019 0.000 2.495 684 E HA -0.103 4.246 4.350 -0.003 0.000 0.204 684 E C 0.290 176.888 176.600 -0.002 0.000 1.163 684 E CA 0.255 56.648 56.400 -0.011 0.000 0.922 684 E CB -1.735 27.954 29.700 -0.018 0.000 0.918 684 E HN 0.276 nan 8.360 nan 0.000 0.537 685 N N 0.448 119.153 118.700 0.009 0.000 2.689 685 N HA -0.265 4.473 4.740 -0.003 0.000 0.263 685 N C 0.529 176.053 175.510 0.023 0.000 0.987 685 N CA 1.041 54.108 53.050 0.029 0.000 0.782 685 N CB -0.642 37.864 38.487 0.032 0.000 0.903 685 N HN 0.407 nan 8.380 nan 0.000 0.547 686 T N -2.096 112.466 114.554 0.012 0.000 3.100 686 T HA 0.277 4.625 4.350 -0.003 0.000 0.253 686 T C 1.649 176.366 174.700 0.029 0.000 1.118 686 T CA 0.846 62.950 62.100 0.006 0.000 1.058 686 T CB 0.013 68.868 68.868 -0.021 0.000 0.953 686 T HN 1.102 nan 8.240 nan 0.000 0.515 687 G N 0.986 109.832 108.800 0.077 0.000 2.162 687 G HA2 -0.205 3.754 3.960 -0.003 0.000 0.260 687 G HA3 -0.205 3.754 3.960 -0.003 0.000 0.260 687 G C 0.245 175.239 174.900 0.157 0.000 0.976 687 G CA 0.674 45.857 45.100 0.138 0.000 0.655 687 G HN 1.464 nan 8.290 nan 0.000 0.533 688 T N -1.132 113.449 114.554 0.045 0.000 3.032 688 T HA 0.662 5.011 4.350 -0.003 0.000 0.312 688 T C -0.282 174.298 174.700 -0.201 0.000 1.078 688 T CA -0.262 61.823 62.100 -0.025 0.000 1.028 688 T CB 1.766 70.612 68.868 -0.035 0.000 1.091 688 T HN 1.451 nan 8.240 nan 0.000 0.457 689 I N 1.475 121.821 120.570 -0.373 0.000 2.412 689 I HA 0.811 4.979 4.170 -0.003 0.000 0.296 689 I C -1.131 174.783 176.117 -0.340 0.000 0.987 689 I CA -1.023 59.974 61.300 -0.505 0.000 1.180 689 I CB 1.778 39.207 38.000 -0.951 0.000 1.340 689 I HN 0.515 nan 8.210 nan 0.000 0.455 690 Q N 7.269 126.914 119.800 -0.257 0.000 2.347 690 Q HA 0.655 4.994 4.340 -0.003 0.000 0.265 690 Q C -1.227 174.710 176.000 -0.104 0.000 1.024 690 Q CA -0.502 55.204 55.803 -0.162 0.000 0.731 690 Q CB 1.925 30.592 28.738 -0.118 0.000 1.245 690 Q HN 0.725 nan 8.270 nan 0.000 0.472 691 L N -1.410 119.784 121.223 -0.049 0.000 2.327 691 L HA 0.908 5.246 4.340 -0.003 0.000 0.258 691 L C -0.768 176.225 176.870 0.206 0.000 1.024 691 L CA -1.225 53.656 54.840 0.068 0.000 0.825 691 L CB 1.349 43.451 42.059 0.071 0.000 1.386 691 L HN 0.426 nan 8.230 nan 0.000 0.417 692 D N -0.000 120.539 120.400 0.233 0.000 2.449 692 D HA 0.406 5.045 4.640 -0.003 0.000 0.250 692 D C 0.937 177.234 176.300 -0.005 0.000 1.050 692 D CA -0.710 53.426 54.000 0.226 0.000 1.024 692 D CB 0.806 41.668 40.800 0.103 0.000 1.218 692 D HN 0.655 nan 8.370 nan 0.000 0.566 693 L N 0.275 121.233 121.223 -0.442 0.000 2.021 693 L HA -0.143 4.195 4.340 -0.003 0.000 0.215 693 L C 1.844 178.468 176.870 -0.409 0.000 1.074 693 L CA 1.804 55.997 54.840 -1.079 0.000 0.760 693 L CB -0.705 40.848 42.059 -0.844 0.000 0.889 693 L HN 0.655 nan 8.230 nan 0.000 0.433 694 I N -0.612 119.862 120.570 -0.160 0.000 2.179 694 I HA -0.290 3.878 4.170 -0.003 0.000 0.242 694 I C 2.541 178.700 176.117 0.070 0.000 1.088 694 I CA 1.498 62.779 61.300 -0.032 0.000 1.357 694 I CB -0.492 37.508 38.000 -0.000 0.000 1.051 694 I HN 0.490 nan 8.210 nan 0.000 0.409 695 S N 0.132 115.914 115.700 0.137 0.000 2.402 695 S HA -0.234 4.234 4.470 -0.003 0.000 0.229 695 S C 1.880 176.756 174.600 0.460 0.000 1.021 695 S CA 0.460 58.821 58.200 0.268 0.000 0.974 695 S CB -1.019 62.342 63.200 0.268 0.000 0.800 695 S HN 0.642 nan 8.310 nan 0.000 0.484 696 W N 2.405 123.815 121.300 0.184 0.000 2.311 696 W HA -0.289 4.369 4.660 -0.003 0.000 0.326 696 W C 2.652 179.270 176.519 0.166 0.000 1.239 696 W CA 2.024 59.503 57.345 0.224 0.000 1.258 696 W CB -0.490 29.052 29.460 0.137 0.000 1.165 696 W HN 0.406 nan 8.180 nan 0.000 0.466 697 L N -0.133 121.126 121.223 0.061 0.000 2.179 697 L HA -0.028 4.311 4.340 -0.003 0.000 0.208 697 L C 2.065 178.854 176.870 -0.134 0.000 1.096 697 L CA 2.300 57.014 54.840 -0.209 0.000 0.779 697 L CB -1.594 40.449 42.059 -0.027 0.000 0.922 697 L HN 0.123 nan 8.230 nan 0.000 0.443 698 S N -1.509 114.171 115.700 -0.032 0.000 2.701 698 S HA 0.242 4.710 4.470 -0.003 0.000 0.220 698 S C 0.937 175.496 174.600 -0.070 0.000 0.954 698 S CA 0.343 58.500 58.200 -0.072 0.000 0.936 698 S CB -0.349 62.798 63.200 -0.087 0.000 0.777 698 S HN 0.674 nan 8.310 nan 0.000 0.518 699 F N 0.731 120.640 119.950 -0.068 0.000 2.856 699 F HA 0.198 4.724 4.527 -0.003 0.000 0.338 699 F C 1.849 177.552 175.800 -0.161 0.000 1.100 699 F CA -0.297 57.698 58.000 -0.009 0.000 1.150 699 F CB 0.369 39.475 39.000 0.178 0.000 1.101 699 F HN 0.190 nan 8.300 nan 0.000 0.548 700 S N -1.190 114.353 115.700 -0.262 0.000 2.591 700 S HA 0.112 4.580 4.470 -0.003 0.000 0.235 700 S C 0.725 174.992 174.600 -0.555 0.000 1.074 700 S CA 0.477 58.195 58.200 -0.803 0.000 0.925 700 S CB -0.574 61.377 63.200 -2.081 0.000 0.818 700 S HN -0.112 nan 8.310 nan 0.000 0.535 701 V N 4.359 124.014 119.914 -0.432 0.000 2.055 701 V HA 0.387 4.506 4.120 -0.003 0.000 0.248 701 V C 0.460 176.459 176.094 -0.158 0.000 1.476 701 V CA -0.912 61.238 62.300 -0.251 0.000 1.417 701 V CB -2.035 29.661 31.823 -0.211 0.000 1.465 701 V HN 0.507 nan 8.190 nan 0.000 0.502 711 H N -1.426 117.626 119.070 -0.029 0.000 2.428 711 H HA 0.471 5.025 4.556 -0.003 0.000 0.296 711 H C 2.042 177.255 175.328 -0.191 0.000 1.062 711 H CA 2.848 58.923 56.048 0.044 0.000 1.350 711 H CB -1.147 28.762 29.762 0.244 0.000 1.403 711 H HN 2.594 nan 8.280 nan 0.000 0.533 712 Y N -0.175 120.061 120.300 -0.107 0.000 2.788 712 Y HA 0.073 4.622 4.550 -0.003 0.000 0.050 712 Y C 0.903 176.748 175.900 -0.092 0.000 1.997 712 Y CA 0.122 58.162 58.100 -0.100 0.000 1.194 712 Y CB -2.455 nan 38.460 nan 0.000 1.860 712 Y HN 1.125 nan 8.280 nan 0.000 0.294 713 S N 1.697 117.364 115.700 -0.055 0.000 2.545 713 S HA 0.342 4.811 4.470 -0.003 0.000 0.268 713 S C 0.824 175.372 174.600 -0.087 0.000 1.369 713 S CA 0.753 58.922 58.200 -0.052 0.000 1.001 713 S CB 0.168 63.346 63.200 -0.037 0.000 0.838 713 S HN 2.403 nan 8.310 nan 0.000 0.520 719 E N 0.646 120.862 120.200 0.027 0.000 3.898 719 E HA 0.360 4.709 4.350 -0.003 0.000 0.219 719 E C 0.584 177.209 176.600 0.042 0.000 1.207 719 E CA -0.239 56.181 56.400 0.033 0.000 1.240 719 E CB 0.617 30.339 29.700 0.036 0.000 1.239 719 E HN 0.946 nan 8.360 nan 0.000 0.422 724 R N -0.471 120.120 120.500 0.152 0.000 2.248 724 R HA 0.667 5.005 4.340 -0.003 0.000 0.337 724 R C 0.651 176.935 176.300 -0.027 0.000 1.106 724 R CA 0.852 56.950 56.100 -0.003 0.000 0.959 724 R CB 0.517 30.788 30.300 -0.050 0.000 1.075 724 R HN 1.486 nan 8.270 nan 0.000 0.480 725 Q N 2.205 121.863 119.800 -0.237 0.000 7.942 725 Q HA -0.108 4.231 4.340 -0.003 0.000 0.369 725 Q C 1.119 176.707 176.000 -0.685 0.000 0.943 725 Q CA 0.378 55.794 55.803 -0.644 0.000 0.541 725 Q CB -1.560 26.463 28.738 -1.192 0.000 0.165 725 Q HN 0.472 nan 8.270 nan 0.000 0.898 726 F N 2.542 122.404 119.950 -0.148 0.000 2.192 726 F HA 0.077 4.602 4.527 -0.003 0.000 0.301 726 F C 3.085 178.764 175.800 -0.202 0.000 1.079 726 F CA 2.593 60.500 58.000 -0.155 0.000 1.303 726 F CB -0.713 38.188 39.000 -0.166 0.000 1.024 726 F HN 0.658 nan 8.300 nan 0.000 0.494 727 R N 1.084 121.530 120.500 -0.091 0.000 2.093 727 R HA 0.172 4.510 4.340 -0.003 0.000 0.224 727 R C 1.479 177.705 176.300 -0.122 0.000 1.101 727 R CA 1.224 57.192 56.100 -0.219 0.000 0.979 727 R CB -1.767 nan 30.300 nan 0.000 0.877 727 R HN 0.298 nan 8.270 nan 0.000 0.441 728 K N 1.912 122.244 120.400 -0.114 0.000 2.366 728 K HA 0.455 4.774 4.320 -0.003 0.000 0.279 728 K C 0.572 177.138 176.600 -0.057 0.000 1.098 728 K CA 0.351 56.595 56.287 -0.071 0.000 1.087 728 K CB -1.092 31.359 32.500 -0.083 0.000 0.901 728 K HN 0.514 nan 8.250 nan 0.000 0.463 729 L N 0.402 121.610 121.223 -0.024 0.000 2.945 729 L HA 0.571 4.910 4.340 -0.003 0.000 0.171 729 L C 2.365 179.228 176.870 -0.011 0.000 1.669 729 L CA -0.099 54.734 54.840 -0.011 0.000 1.963 729 L CB -0.012 42.053 42.059 0.011 0.000 2.719 729 L HN 0.630 nan 8.230 nan 0.000 0.570 730 F N -0.291 119.660 119.950 0.001 0.000 2.816 730 F HA 0.204 4.730 4.527 -0.003 0.000 0.302 730 F C 1.220 177.027 175.800 0.012 0.000 1.178 730 F CA -0.295 57.707 58.000 0.004 0.000 1.421 730 F CB -1.367 37.638 39.000 0.007 0.000 1.114 730 F HN 0.155 nan 8.300 nan 0.000 0.573 731 V N 1.984 121.908 119.914 0.017 0.000 2.107 731 V HA 0.302 4.421 4.120 -0.003 0.000 0.229 731 V C 0.690 176.798 176.094 0.024 0.000 1.545 731 V CA 0.946 63.263 62.300 0.027 0.000 1.546 731 V CB -2.543 29.302 31.823 0.038 0.000 1.542 731 V HN 1.652 nan 8.190 nan 0.000 0.492 732 Q N -0.009 119.804 119.800 0.022 0.000 2.667 732 Q HA 0.383 4.722 4.340 -0.003 0.000 0.210 732 Q C 0.095 176.103 176.000 0.012 0.000 1.417 732 Q CA 0.577 56.392 55.803 0.020 0.000 0.607 732 Q CB -2.500 26.253 28.738 0.025 0.000 0.739 732 Q HN 2.540 nan 8.270 nan 0.000 0.315 739 E N -0.059 120.169 120.200 0.046 0.000 2.263 739 E HA 0.677 5.026 4.350 -0.003 0.000 0.264 739 E C -0.427 176.219 176.600 0.076 0.000 0.923 739 E CA -0.405 56.032 56.400 0.062 0.000 0.802 739 E CB 2.484 32.213 29.700 0.049 0.000 1.228 739 E HN 0.101 nan 8.360 nan 0.000 0.417 740 V N 0.775 120.749 119.914 0.101 0.000 3.743 740 V HA 0.659 4.778 4.120 -0.003 0.000 0.274 740 V C 0.437 176.567 176.094 0.061 0.000 1.001 740 V CA 0.063 62.432 62.300 0.115 0.000 0.890 740 V CB 1.159 33.116 31.823 0.223 0.000 1.225 740 V HN 0.818 nan 8.190 nan 0.000 0.411 741 S N -1.527 114.198 115.700 0.041 0.000 2.790 741 S HA 0.669 5.138 4.470 -0.003 0.000 0.292 741 S C 0.409 175.000 174.600 -0.015 0.000 1.197 741 S CA 0.125 58.333 58.200 0.013 0.000 0.851 741 S CB 1.064 64.281 63.200 0.029 0.000 1.217 741 S HN 1.145 nan 8.310 nan 0.000 0.526 742 A N 0.009 122.818 122.820 -0.018 0.000 2.021 742 A HA 0.348 4.666 4.320 -0.003 0.000 0.216 742 A C 2.178 179.766 177.584 0.006 0.000 1.163 742 A CA 1.893 53.913 52.037 -0.028 0.000 0.676 742 A CB -1.850 17.125 19.000 -0.042 0.000 0.818 742 A HN 1.320 nan 8.150 nan 0.000 0.453 743 T N -0.141 114.426 114.554 0.023 0.000 2.812 743 T HA -0.087 4.262 4.350 -0.003 0.000 0.264 743 T C 1.777 176.509 174.700 0.055 0.000 1.042 743 T CA 1.496 63.619 62.100 0.038 0.000 1.140 743 T CB -0.324 68.567 68.868 0.038 0.000 0.870 743 T HN 0.569 nan 8.240 nan 0.000 0.445 744 E N 0.287 120.523 120.200 0.059 0.000 2.072 744 E HA 0.013 4.361 4.350 -0.003 0.000 0.191 744 E C 2.165 178.828 176.600 0.104 0.000 0.985 744 E CA 0.708 57.157 56.400 0.081 0.000 0.801 744 E CB -0.135 29.616 29.700 0.086 0.000 0.750 744 E HN 0.433 nan 8.360 nan 0.000 0.452 745 L N 0.832 122.099 121.223 0.073 0.000 1.976 745 L HA -0.082 4.256 4.340 -0.003 0.000 0.209 745 L C 1.526 178.471 176.870 0.125 0.000 1.071 745 L CA 1.368 56.249 54.840 0.068 0.000 0.746 745 L CB -0.162 41.877 42.059 -0.033 0.000 0.890 745 L HN 0.133 nan 8.230 nan 0.000 0.432 765 G N 0.451 109.379 108.800 0.214 0.000 2.535 765 G HA2 0.494 4.452 3.960 -0.003 0.000 0.303 765 G HA3 0.494 4.452 3.960 -0.003 0.000 0.303 765 G C 0.421 175.374 174.900 0.088 0.000 1.237 765 G CA -0.342 44.829 45.100 0.118 0.000 0.986 765 G HN 0.597 nan 8.290 nan 0.000 0.494 766 I N 0.490 121.097 120.570 0.062 0.000 2.141 766 I HA 0.024 4.193 4.170 -0.003 0.000 0.236 766 I C 2.833 178.957 176.117 0.011 0.000 1.071 766 I CA 2.459 63.785 61.300 0.043 0.000 1.345 766 I CB -0.806 37.222 38.000 0.046 0.000 1.066 766 I HN 0.645 nan 8.210 nan 0.000 0.406 767 D N -1.249 119.154 120.400 0.005 0.000 2.178 767 D HA -0.206 4.432 4.640 -0.003 0.000 0.201 767 D C 1.881 178.147 176.300 -0.057 0.000 0.980 767 D CA 1.901 55.883 54.000 -0.029 0.000 0.842 767 D CB -1.375 39.420 40.800 -0.009 0.000 0.948 767 D HN 0.521 nan 8.370 nan 0.000 0.472 768 T N -1.032 113.502 114.554 -0.032 0.000 2.836 768 T HA -0.183 4.165 4.350 -0.003 0.000 0.268 768 T C 2.004 176.640 174.700 -0.106 0.000 1.080 768 T CA 1.467 63.530 62.100 -0.061 0.000 1.128 768 T CB -0.424 68.435 68.868 -0.015 0.000 0.839 768 T HN 0.728 nan 8.240 nan 0.000 0.507 769 C N -0.116 119.134 119.300 -0.083 0.000 2.735 769 C HA 0.354 4.812 4.460 -0.003 0.000 0.444 769 C C 3.147 178.063 174.990 -0.123 0.000 1.331 769 C CA -0.111 58.842 59.018 -0.108 0.000 2.225 769 C CB -0.869 26.839 27.740 -0.053 0.000 2.917 769 C HN 0.585 nan 8.230 nan 0.000 0.567 770 R N 1.619 122.059 120.500 -0.100 0.000 2.244 770 R HA -0.192 4.147 4.340 -0.003 0.000 0.252 770 R C 1.756 177.945 176.300 -0.185 0.000 1.177 770 R CA 2.327 58.351 56.100 -0.128 0.000 1.004 770 R CB -1.782 28.447 30.300 -0.119 0.000 0.873 770 R HN 0.823 nan 8.270 nan 0.000 0.469 771 S N -1.590 113.993 115.700 -0.196 0.000 2.577 771 S HA 0.159 4.627 4.470 -0.003 0.000 0.219 771 S C 1.834 176.283 174.600 -0.251 0.000 0.962 771 S CA 0.499 58.559 58.200 -0.235 0.000 0.921 771 S CB -0.025 63.041 63.200 -0.224 0.000 0.789 771 S HN 0.622 nan 8.310 nan 0.000 0.497 772 M N 1.152 120.609 119.600 -0.239 0.000 2.240 772 M HA 0.240 4.718 4.480 -0.003 0.000 0.257 772 M C 2.742 178.891 176.300 -0.251 0.000 1.107 772 M CA 1.433 56.578 55.300 -0.258 0.000 1.169 772 M CB -1.071 31.362 32.600 -0.279 0.000 1.307 772 M HN 0.275 nan 8.290 nan 0.000 0.447 773 V N 0.753 120.533 119.914 -0.224 0.000 2.511 773 V HA -0.269 3.850 4.120 -0.003 0.000 0.257 773 V C 2.409 178.350 176.094 -0.257 0.000 1.088 773 V CA 2.880 65.056 62.300 -0.207 0.000 1.098 773 V CB -1.431 30.308 31.823 -0.141 0.000 0.674 773 V HN 0.436 nan 8.190 nan 0.000 0.470 774 A N 0.060 122.671 122.820 -0.349 0.000 1.823 774 A HA -0.016 4.302 4.320 -0.003 0.000 0.214 774 A C 2.421 179.547 177.584 -0.764 0.000 1.225 774 A CA 2.510 54.159 52.037 -0.646 0.000 0.604 774 A CB -1.127 17.526 19.000 -0.579 0.000 0.878 774 A HN 1.572 nan 8.150 nan 0.000 0.450 775 V N -1.365 118.232 119.914 -0.528 0.000 2.944 775 V HA -0.209 3.909 4.120 -0.003 0.000 0.265 775 V C 1.585 177.513 176.094 -0.276 0.000 1.125 775 V CA 2.456 64.536 62.300 -0.367 0.000 1.145 775 V CB -0.805 30.854 31.823 -0.273 0.000 0.725 775 V HN 0.512 nan 8.190 nan 0.000 0.510 776 M N 0.535 119.974 119.600 -0.268 0.000 2.337 776 M HA 0.303 4.782 4.480 -0.003 0.000 0.256 776 M C 0.861 177.072 176.300 -0.149 0.000 1.075 776 M CA 0.751 55.939 55.300 -0.187 0.000 1.024 776 M CB -0.941 31.571 32.600 -0.147 0.000 1.429 776 M HN 0.607 nan 8.290 nan 0.000 0.497 777 D N 1.083 121.385 120.400 -0.163 0.000 2.390 777 D HA 0.326 4.964 4.640 -0.003 0.000 0.249 777 D C 0.353 176.690 176.300 0.063 0.000 1.144 777 D CA -0.008 53.978 54.000 -0.024 0.000 0.880 777 D CB 0.613 41.495 40.800 0.137 0.000 1.182 777 D HN 0.211 nan 8.370 nan 0.000 0.451 778 S N 0.538 116.273 115.700 0.057 0.000 2.506 778 S HA 0.280 4.748 4.470 -0.003 0.000 0.245 778 S C -0.595 174.040 174.600 0.058 0.000 1.088 778 S CA -0.331 57.905 58.200 0.061 0.000 1.099 778 S CB 0.123 63.327 63.200 0.007 0.000 0.805 778 S HN 0.585 nan 8.310 nan 0.000 0.461 779 D N 0.142 120.595 120.400 0.088 0.000 2.640 779 D HA 0.047 4.685 4.640 -0.003 0.000 0.282 779 D C 0.237 176.533 176.300 -0.007 0.000 1.558 779 D CA 0.090 54.103 54.000 0.023 0.000 0.820 779 D CB 0.117 40.922 40.800 0.009 0.000 1.243 779 D HN 0.309 nan 8.370 nan 0.000 0.456 780 T N -0.609 113.952 114.554 0.010 0.000 3.151 780 T HA -0.260 4.089 4.350 -0.003 0.000 0.438 780 T C 0.821 175.423 174.700 -0.162 0.000 0.772 780 T CA 1.526 63.406 62.100 -0.366 0.000 2.200 780 T CB -1.853 66.609 68.868 -0.677 0.000 1.653 780 T HN 0.328 nan 8.240 nan 0.000 0.581 781 T N -2.209 112.353 114.554 0.014 0.000 3.010 781 T HA 0.562 4.910 4.350 -0.003 0.000 0.252 781 T C 2.235 176.977 174.700 0.070 0.000 0.963 781 T CA 0.679 62.798 62.100 0.032 0.000 0.952 781 T CB 0.147 69.039 68.868 0.040 0.000 1.182 781 T HN 1.892 nan 8.240 nan 0.000 0.495 782 G N 2.099 110.996 108.800 0.162 0.000 2.363 782 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.238 782 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.238 782 G C 0.556 175.482 174.900 0.044 0.000 1.062 782 G CA 0.676 45.842 45.100 0.109 0.000 0.629 782 G HN 1.103 nan 8.290 nan 0.000 0.514 783 K N 0.212 120.639 120.400 0.045 0.000 2.527 783 K HA 0.562 4.880 4.320 -0.003 0.000 0.278 783 K C 0.136 176.746 176.600 0.017 0.000 0.981 783 K CA 0.979 57.285 56.287 0.032 0.000 1.009 783 K CB 0.071 32.595 32.500 0.040 0.000 0.895 783 K HN 0.916 nan 8.250 nan 0.000 0.493 784 L N 3.211 124.444 121.223 0.018 0.000 2.435 784 L HA 0.367 4.706 4.340 -0.003 0.000 0.253 784 L C 1.296 178.218 176.870 0.087 0.000 1.087 784 L CA -0.390 54.456 54.840 0.010 0.000 0.950 784 L CB 0.659 42.659 42.059 -0.098 0.000 1.304 784 L HN 0.953 nan 8.230 nan 0.000 0.453 785 G N 0.051 108.895 108.800 0.073 0.000 2.504 785 G HA2 0.138 4.096 3.960 -0.003 0.000 0.291 785 G HA3 0.138 4.096 3.960 -0.003 0.000 0.291 785 G C 1.119 176.092 174.900 0.122 0.000 1.345 785 G CA 0.379 45.529 45.100 0.083 0.000 1.090 785 G HN 0.355 nan 8.290 nan 0.000 0.591 786 F N -1.076 118.932 119.950 0.096 0.000 2.074 786 F HA 0.075 4.600 4.527 -0.003 0.000 0.293 786 F C 2.644 178.538 175.800 0.157 0.000 1.116 786 F CA 2.270 60.335 58.000 0.107 0.000 1.212 786 F CB -1.131 37.900 39.000 0.052 0.000 0.998 786 F HN 0.539 nan 8.300 nan 0.000 0.471 787 E N 0.304 120.576 120.200 0.120 0.000 2.110 787 E HA 0.067 4.416 4.350 -0.003 0.000 0.193 787 E C 1.509 178.204 176.600 0.157 0.000 0.988 787 E CA 1.312 57.788 56.400 0.127 0.000 0.804 787 E CB -0.403 29.343 29.700 0.075 0.000 0.745 787 E HN 0.720 nan 8.360 nan 0.000 0.458 788 E N -0.679 119.591 120.200 0.117 0.000 2.411 788 E HA 0.258 4.606 4.350 -0.003 0.000 0.228 788 E C 0.290 176.940 176.600 0.082 0.000 1.169 788 E CA -0.238 56.199 56.400 0.063 0.000 1.421 788 E CB -0.974 28.718 29.700 -0.012 0.000 1.333 788 E HN 0.342 nan 8.360 nan 0.000 0.434 789 F N -0.830 119.155 119.950 0.058 0.000 1.964 789 F HA 0.181 4.706 4.527 -0.003 0.000 0.248 789 F C 2.121 177.989 175.800 0.114 0.000 1.051 789 F CA 0.347 58.380 58.000 0.056 0.000 1.221 789 F CB 0.575 39.575 39.000 -0.000 0.000 1.497 789 F HN 0.117 nan 8.300 nan 0.000 0.653 790 K N 0.476 121.178 120.400 0.503 0.000 1.990 790 K HA -0.346 3.972 4.320 -0.003 0.000 0.225 790 K C 1.980 178.814 176.600 0.389 0.000 1.053 790 K CA 2.610 59.115 56.287 0.363 0.000 0.982 790 K CB -1.156 31.473 32.500 0.216 0.000 0.734 790 K HN 0.436 nan 8.250 nan 0.000 0.448 791 Y N 1.181 121.592 120.300 0.185 0.000 2.029 791 Y HA -0.335 4.213 4.550 -0.003 0.000 0.269 791 Y C 2.252 178.240 175.900 0.147 0.000 1.201 791 Y CA 2.297 60.474 58.100 0.130 0.000 1.115 791 Y CB -0.629 37.873 38.460 0.069 0.000 0.945 791 Y HN 0.270 nan 8.280 nan 0.000 0.497 792 L N -0.096 121.311 121.223 0.307 0.000 2.131 792 L HA -0.223 4.116 4.340 -0.003 0.000 0.210 792 L C 2.340 179.315 176.870 0.175 0.000 1.092 792 L CA 1.835 56.761 54.840 0.144 0.000 0.759 792 L CB -0.824 41.236 42.059 0.002 0.000 0.903 792 L HN 0.600 nan 8.230 nan 0.000 0.435 793 W N 0.329 121.722 121.300 0.154 0.000 2.381 793 W HA -0.291 4.367 4.660 -0.003 0.000 0.321 793 W C 2.339 178.893 176.519 0.059 0.000 1.196 793 W CA 1.486 58.934 57.345 0.171 0.000 1.304 793 W CB -0.595 29.027 29.460 0.270 0.000 1.166 793 W HN 0.348 nan 8.180 nan 0.000 0.473 794 N N 0.870 119.719 118.700 0.249 0.000 2.580 794 N HA -0.263 4.476 4.740 -0.003 0.000 0.193 794 N C 0.971 176.460 175.510 -0.036 0.000 1.075 794 N CA 2.366 55.449 53.050 0.056 0.000 0.921 794 N CB -1.839 36.691 38.487 0.072 0.000 0.950 794 N HN 0.586 nan 8.380 nan 0.000 0.449 795 N N -0.934 117.705 118.700 -0.101 0.000 2.503 795 N HA 0.396 5.134 4.740 -0.003 0.000 0.210 795 N C 2.391 177.749 175.510 -0.254 0.000 1.077 795 N CA 1.187 54.176 53.050 -0.102 0.000 0.855 795 N CB -0.707 37.514 38.487 -0.443 0.000 1.323 795 N HN 0.781 nan 8.380 nan 0.000 0.452 796 I N 1.057 121.446 120.570 -0.302 0.000 2.151 796 I HA -0.145 4.023 4.170 -0.003 0.000 0.243 796 I C 2.352 178.486 176.117 0.029 0.000 1.080 796 I CA 2.362 63.526 61.300 -0.227 0.000 1.339 796 I CB -1.113 36.758 38.000 -0.214 0.000 1.039 796 I HN 0.435 nan 8.210 nan 0.000 0.409 797 K N 0.025 120.390 120.400 -0.058 0.000 1.965 797 K HA -0.277 4.042 4.320 -0.003 0.000 0.218 797 K C 2.357 178.982 176.600 0.042 0.000 1.048 797 K CA 2.186 58.431 56.287 -0.070 0.000 0.960 797 K CB -0.590 31.769 32.500 -0.234 0.000 0.732 797 K HN 0.680 nan 8.250 nan 0.000 0.444 798 K N -0.381 120.047 120.400 0.046 0.000 2.169 798 K HA -0.227 4.091 4.320 -0.003 0.000 0.213 798 K C 1.987 178.602 176.600 0.025 0.000 1.050 798 K CA 2.392 58.694 56.287 0.025 0.000 0.935 798 K CB -0.336 32.181 32.500 0.027 0.000 0.722 798 K HN 0.226 nan 8.250 nan 0.000 0.468 799 W N 0.952 122.207 121.300 -0.075 0.000 2.425 799 W HA -0.085 4.573 4.660 -0.003 0.000 0.277 799 W C 2.571 179.155 176.519 0.109 0.000 1.231 799 W CA 1.320 58.639 57.345 -0.043 0.000 1.248 799 W CB -0.331 29.046 29.460 -0.139 0.000 1.117 799 W HN 0.368 nan 8.180 nan 0.000 0.568 800 Q N 0.246 120.257 119.800 0.351 0.000 1.993 800 Q HA -0.087 4.251 4.340 -0.003 0.000 0.202 800 Q C 2.491 178.621 176.000 0.216 0.000 0.984 800 Q CA 2.553 58.620 55.803 0.440 0.000 0.837 800 Q CB -0.949 27.917 28.738 0.212 0.000 0.902 800 Q HN 0.166 nan 8.270 nan 0.000 0.423 801 G N 1.483 110.339 108.800 0.094 0.000 2.721 801 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.218 801 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.218 801 G C 0.832 175.767 174.900 0.058 0.000 1.265 801 G CA 1.230 46.352 45.100 0.037 0.000 0.796 801 G HN 0.421 nan 8.290 nan 0.000 0.620 806 F N 0.369 120.285 119.950 -0.058 0.000 1.984 806 F HA -0.313 4.213 4.527 -0.003 0.000 0.463 806 F C 0.894 176.670 175.800 -0.040 0.000 0.525 806 F CA 2.558 60.515 58.000 -0.071 0.000 1.992 806 F CB -0.688 38.257 39.000 -0.093 0.000 2.756 806 F HN 1.373 nan 8.300 nan 0.000 0.243 807 E N -2.227 118.057 120.200 0.140 0.000 2.930 807 E HA -0.066 4.282 4.350 -0.003 0.000 0.213 807 E C 0.669 177.284 176.600 0.026 0.000 0.541 807 E CA 0.800 57.242 56.400 0.069 0.000 2.283 807 E CB -1.619 28.100 29.700 0.031 0.000 2.870 807 E HN 0.652 nan 8.360 nan 0.000 0.680 808 T N 0.266 114.834 114.554 0.024 0.000 4.693 808 T HA 0.295 4.643 4.350 -0.003 0.000 0.469 808 T C 1.256 175.961 174.700 0.009 0.000 0.997 808 T CA 3.474 65.582 62.100 0.012 0.000 1.071 808 T CB -0.701 68.176 68.868 0.015 0.000 1.273 808 T HN 0.717 nan 8.240 nan 0.000 0.443 809 D N -2.213 118.188 120.400 0.002 0.000 2.410 809 D HA 0.476 5.115 4.640 -0.003 0.000 0.218 809 D C 1.861 178.153 176.300 -0.014 0.000 1.359 809 D CA 1.536 55.533 54.000 -0.005 0.000 1.348 809 D CB -0.778 nan 40.800 nan 0.000 1.797 809 D HN 0.913 nan 8.370 nan 0.000 0.409 810 R N 0.127 120.617 120.500 -0.016 0.000 1.451 810 R HA 0.708 5.047 4.340 -0.003 0.000 0.066 810 R C 1.756 178.041 176.300 -0.024 0.000 0.461 810 R CA 1.702 57.788 56.100 -0.022 0.000 2.066 810 R CB -1.071 29.218 30.300 -0.018 0.000 0.491 810 R HN 1.042 nan 8.270 nan 0.000 0.765 811 S N -3.759 111.927 115.700 -0.023 0.000 1.213 811 S HA 0.018 4.487 4.470 -0.003 0.000 0.253 811 S C 0.468 175.052 174.600 -0.027 0.000 0.584 811 S CA 0.708 58.898 58.200 -0.018 0.000 0.965 811 S CB -1.677 61.517 63.200 -0.010 0.000 0.888 811 S HN 2.055 nan 8.310 nan 0.000 0.486 821 G N -0.596 108.283 108.800 0.132 0.000 3.899 821 G HA2 0.474 4.432 3.960 -0.003 0.000 0.293 821 G HA3 0.474 4.432 3.960 -0.003 0.000 0.293 821 G C 0.787 175.720 174.900 0.054 0.000 1.054 821 G CA 0.941 46.088 45.100 0.078 0.000 0.846 821 G HN 0.554 nan 8.290 nan 0.000 0.525 822 A N 1.203 124.080 122.820 0.095 0.000 1.849 822 A HA -0.055 4.263 4.320 -0.003 0.000 0.216 822 A C 1.880 179.486 177.584 0.037 0.000 1.225 822 A CA 1.508 53.601 52.037 0.093 0.000 0.653 822 A CB -0.838 18.290 19.000 0.213 0.000 0.844 822 A HN 0.316 nan 8.150 nan 0.000 0.453 823 F N 0.670 120.556 119.950 -0.107 0.000 2.214 823 F HA -0.194 4.331 4.527 -0.003 0.000 0.302 823 F C 2.755 178.442 175.800 -0.188 0.000 1.063 823 F CA 1.746 59.663 58.000 -0.140 0.000 1.319 823 F CB -0.927 38.067 39.000 -0.010 0.000 1.046 823 F HN 0.488 nan 8.300 nan 0.000 0.505 824 E N -0.320 119.852 120.200 -0.047 0.000 2.505 824 E HA 0.387 4.735 4.350 -0.003 0.000 0.197 824 E C 1.491 177.867 176.600 -0.373 0.000 1.111 824 E CA 0.789 56.976 56.400 -0.354 0.000 0.887 824 E CB -0.927 28.520 29.700 -0.422 0.000 0.913 824 E HN 0.435 nan 8.360 nan 0.000 0.517 825 A N -1.633 121.002 122.820 -0.307 0.000 2.591 825 A HA 0.681 4.999 4.320 -0.003 0.000 0.204 825 A C 1.898 179.249 177.584 -0.389 0.000 1.410 825 A CA 0.904 52.769 52.037 -0.286 0.000 1.065 825 A CB 0.270 19.136 19.000 -0.225 0.000 1.362 825 A HN 0.923 nan 8.150 nan 0.000 0.566 826 A N -0.496 122.004 122.820 -0.535 0.000 2.387 826 A HA 0.479 4.798 4.320 -0.003 0.000 0.234 826 A C 1.545 178.636 177.584 -0.821 0.000 1.253 826 A CA 0.901 52.476 52.037 -0.770 0.000 0.894 826 A CB -0.781 17.442 19.000 -1.295 0.000 0.963 826 A HN 1.889 nan 8.150 nan 0.000 0.508 827 G N -0.744 107.638 108.800 -0.698 0.000 2.246 827 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.273 827 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.273 827 G C -0.182 173.929 174.900 -1.316 0.000 1.055 827 G CA 0.471 45.089 45.100 -0.803 0.000 0.851 827 G HN 0.641 nan 8.290 nan 0.000 0.500 828 F N 0.297 120.138 119.950 -0.183 0.000 2.794 828 F HA 0.311 4.836 4.527 -0.003 0.000 0.353 828 F C 0.570 176.374 175.800 0.007 0.000 1.371 828 F CA -1.216 56.733 58.000 -0.085 0.000 1.173 828 F CB 0.569 39.524 39.000 -0.075 0.000 1.693 828 F HN 0.115 nan 8.300 nan 0.000 0.606 829 H N 3.018 122.180 119.070 0.153 0.000 3.325 829 H HA 0.091 4.645 4.556 -0.003 0.000 0.242 829 H C 0.187 175.625 175.328 0.184 0.000 1.117 829 H CA 0.481 56.617 56.048 0.146 0.000 1.470 829 H CB 0.616 30.432 29.762 0.091 0.000 1.573 829 H HN 0.509 nan 8.280 nan 0.000 0.501 830 L N 3.454 124.841 121.223 0.274 0.000 2.994 830 L HA 0.403 4.741 4.340 -0.003 0.000 0.198 830 L C 0.158 177.123 176.870 0.159 0.000 1.530 830 L CA -0.398 54.566 54.840 0.205 0.000 1.565 830 L CB 0.846 42.980 42.059 0.125 0.000 2.470 830 L HN 0.656 nan 8.230 nan 0.000 0.564 831 N N -3.238 115.523 118.700 0.101 0.000 3.452 831 N HA 0.193 4.932 4.740 -0.003 0.000 0.231 831 N C -0.262 175.276 175.510 0.046 0.000 1.264 831 N CA 0.289 53.384 53.050 0.076 0.000 0.928 831 N CB 1.038 39.568 38.487 0.070 0.000 1.547 831 N HN 0.463 nan 8.380 nan 0.000 0.509 832 Q N 0.120 119.943 119.800 0.038 0.000 2.368 832 Q HA -0.134 4.205 4.340 -0.003 0.000 0.210 832 Q C 1.604 177.612 176.000 0.014 0.000 0.982 832 Q CA 2.715 58.534 55.803 0.026 0.000 0.884 832 Q CB -1.876 26.877 28.738 0.025 0.000 0.933 832 Q HN 0.866 nan 8.270 nan 0.000 0.460 833 H N -0.826 118.255 119.070 0.018 0.000 1.921 833 H HA -0.087 4.467 4.556 -0.003 0.000 0.121 833 H C 2.252 177.587 175.328 0.012 0.000 0.947 833 H CA 3.512 59.570 56.048 0.017 0.000 1.830 833 H CB -1.103 28.677 29.762 0.031 0.000 2.237 833 H HN 1.260 nan 8.280 nan 0.000 0.999 834 I N -0.077 120.511 120.570 0.030 0.000 3.241 834 I HA 0.299 4.467 4.170 -0.003 0.000 0.280 834 I C 2.585 178.692 176.117 -0.017 0.000 1.320 834 I CA 2.200 63.510 61.300 0.016 0.000 1.413 834 I CB -2.459 35.578 38.000 0.061 0.000 1.060 834 I HN 1.281 nan 8.210 nan 0.000 0.500 835 Y N -0.701 119.590 120.300 -0.014 0.000 2.470 835 Y HA 0.466 5.014 4.550 -0.003 0.000 0.302 835 Y C 1.767 177.656 175.900 -0.018 0.000 1.194 835 Y CA 0.399 58.483 58.100 -0.026 0.000 1.271 835 Y CB -0.932 37.524 38.460 -0.007 0.000 1.092 835 Y HN 0.454 nan 8.280 nan 0.000 0.513 836 S N 3.365 119.050 115.700 -0.025 0.000 2.858 836 S HA 0.143 4.611 4.470 -0.003 0.000 0.328 836 S C 1.116 175.696 174.600 -0.033 0.000 1.149 836 S CA 0.119 58.300 58.200 -0.030 0.000 1.421 836 S CB -1.385 61.785 63.200 -0.049 0.000 1.461 836 S HN 0.692 nan 8.310 nan 0.000 0.587 837 M N 1.472 121.062 119.600 -0.017 0.000 2.140 837 M HA -0.278 4.200 4.480 -0.003 0.000 0.196 837 M C 1.035 177.318 176.300 -0.030 0.000 0.275 837 M CA 0.479 55.771 55.300 -0.013 0.000 0.375 837 M CB -2.362 30.234 32.600 -0.008 0.000 1.075 837 M HN 0.649 nan 8.290 nan 0.000 0.944 838 I N 1.483 122.025 120.570 -0.046 0.000 2.181 838 I HA -0.332 3.837 4.170 -0.003 0.000 0.247 838 I C 2.296 178.381 176.117 -0.053 0.000 1.081 838 I CA 2.535 63.790 61.300 -0.074 0.000 1.340 838 I CB -0.060 37.868 38.000 -0.120 0.000 1.036 838 I HN 0.666 nan 8.210 nan 0.000 0.417 839 I N 0.988 121.555 120.570 -0.006 0.000 2.317 839 I HA -0.400 3.769 4.170 -0.003 0.000 0.244 839 I C 1.602 177.739 176.117 0.035 0.000 0.986 839 I CA 2.530 63.854 61.300 0.040 0.000 1.286 839 I CB -1.605 36.423 38.000 0.047 0.000 0.983 839 I HN 0.337 nan 8.210 nan 0.000 0.422 844 D N 0.866 121.314 120.400 0.080 0.000 2.325 844 D HA 0.533 5.171 4.640 -0.003 0.000 0.237 844 D C 1.433 177.768 176.300 0.057 0.000 1.328 844 D CA 1.010 55.052 54.000 0.070 0.000 0.918 844 D CB -0.417 40.424 40.800 0.069 0.000 1.156 844 D HN 1.523 nan 8.370 nan 0.000 0.485 845 E N -1.986 118.246 120.200 0.052 0.000 2.160 845 E HA 0.144 4.492 4.350 -0.003 0.000 0.195 845 E C 2.038 178.664 176.600 0.043 0.000 0.991 845 E CA 3.067 59.495 56.400 0.047 0.000 0.810 845 E CB -0.946 28.781 29.700 0.045 0.000 0.742 845 E HN 1.233 nan 8.360 nan 0.000 0.466 846 T N -2.265 112.314 114.554 0.041 0.000 3.074 846 T HA 0.490 4.838 4.350 -0.003 0.000 0.258 846 T C 1.409 176.134 174.700 0.041 0.000 0.891 846 T CA 0.843 62.967 62.100 0.039 0.000 0.867 846 T CB 0.080 68.967 68.868 0.032 0.000 1.261 846 T HN 0.705 nan 8.240 nan 0.000 0.537 847 G N 1.919 110.743 108.800 0.040 0.000 2.651 847 G HA2 0.371 4.330 3.960 -0.003 0.000 0.260 847 G HA3 0.371 4.330 3.960 -0.003 0.000 0.260 847 G C 0.765 175.695 174.900 0.049 0.000 1.216 847 G CA 0.274 45.399 45.100 0.042 0.000 0.913 847 G HN 0.442 nan 8.290 nan 0.000 0.535 848 N N -0.728 118.000 118.700 0.046 0.000 2.398 848 N HA 0.156 4.894 4.740 -0.003 0.000 0.188 848 N C 1.649 177.155 175.510 -0.007 0.000 1.122 848 N CA 1.130 54.198 53.050 0.030 0.000 0.866 848 N CB -0.652 37.866 38.487 0.050 0.000 0.970 848 N HN 1.230 nan 8.380 nan 0.000 0.462 849 M N 0.265 119.883 119.600 0.030 0.000 7.319 849 M HA -0.263 4.215 4.480 -0.003 0.000 0.276 849 M C -0.448 175.885 176.300 0.055 0.000 0.480 849 M CA 1.753 57.097 55.300 0.073 0.000 1.311 849 M CB -1.896 30.784 32.600 0.133 0.000 0.421 849 M HN 0.529 nan 8.290 nan 0.000 0.242 850 D N -1.407 119.100 120.400 0.179 0.000 2.950 850 D HA 0.542 5.181 4.640 -0.003 0.000 0.212 850 D C -0.364 176.242 176.300 0.509 0.000 1.398 850 D CA 0.992 55.147 54.000 0.259 0.000 1.198 850 D CB -0.334 40.540 40.800 0.122 0.000 1.369 850 D HN 1.899 nan 8.370 nan 0.000 0.624 851 F N 0.487 120.603 119.950 0.277 0.000 2.357 851 F HA -0.151 4.374 4.527 -0.003 0.000 0.714 851 F C 1.538 177.672 175.800 0.556 0.000 0.487 851 F CA 1.259 59.482 58.000 0.372 0.000 1.268 851 F CB -0.832 38.297 39.000 0.213 0.000 2.048 851 F HN 0.320 nan 8.300 nan 0.000 0.270 852 D N 0.428 121.100 120.400 0.453 0.000 2.856 852 D HA 0.514 5.152 4.640 -0.003 0.000 0.242 852 D C 0.544 176.990 176.300 0.244 0.000 1.226 852 D CA 1.115 55.366 54.000 0.418 0.000 0.855 852 D CB -0.612 40.334 40.800 0.243 0.000 1.065 852 D HN 0.624 nan 8.370 nan 0.000 0.462 853 N N -2.586 116.235 118.700 0.200 0.000 2.609 853 N HA 0.014 4.752 4.740 -0.003 0.000 0.353 853 N C 0.993 176.568 175.510 0.109 0.000 0.565 853 N CA -0.188 52.942 53.050 0.133 0.000 1.543 853 N CB -0.358 38.232 38.487 0.170 0.000 1.565 853 N HN 0.047 nan 8.380 nan 0.000 1.799 854 F N 2.296 122.257 119.950 0.019 0.000 2.106 854 F HA -0.238 4.288 4.527 -0.003 0.000 0.299 854 F C 2.461 178.256 175.800 -0.009 0.000 1.082 854 F CA 2.468 60.495 58.000 0.045 0.000 1.244 854 F CB -0.688 38.363 39.000 0.085 0.000 0.997 854 F HN 0.348 nan 8.300 nan 0.000 0.486 855 I N -1.538 118.986 120.570 -0.076 0.000 2.406 855 I HA -0.039 4.129 4.170 -0.003 0.000 0.249 855 I C 2.554 178.388 176.117 -0.472 0.000 1.122 855 I CA 1.962 63.025 61.300 -0.395 0.000 1.431 855 I CB -1.794 35.796 38.000 -0.684 0.000 1.087 855 I HN 0.336 nan 8.210 nan 0.000 0.424 856 S N -0.886 114.600 115.700 -0.357 0.000 2.349 856 S HA -0.280 4.189 4.470 -0.003 0.000 0.216 856 S C 2.213 176.640 174.600 -0.290 0.000 1.033 856 S CA 1.735 59.741 58.200 -0.323 0.000 1.021 856 S CB -1.409 61.667 63.200 -0.206 0.000 0.968 856 S HN 0.706 nan 8.310 nan 0.000 0.426 857 C N 1.038 120.209 119.300 -0.214 0.000 2.452 857 C HA 0.292 4.750 4.460 -0.003 0.000 0.300 857 C C 2.497 177.362 174.990 -0.209 0.000 1.509 857 C CA 1.027 59.921 59.018 -0.208 0.000 1.722 857 C CB -2.123 25.504 27.740 -0.188 0.000 1.591 857 C HN 0.619 nan 8.230 nan 0.000 0.592 858 L N -1.267 119.781 121.223 -0.291 0.000 2.362 858 L HA 0.476 4.814 4.340 -0.003 0.000 0.204 858 L C 2.463 178.938 176.870 -0.657 0.000 1.060 858 L CA 1.762 56.325 54.840 -0.462 0.000 0.827 858 L CB -1.487 40.125 42.059 -0.745 0.000 1.027 858 L HN 0.222 nan 8.230 nan 0.000 0.474 859 V N -0.246 119.278 119.914 -0.650 0.000 3.078 859 V HA -0.045 4.073 4.120 -0.003 0.000 0.265 859 V C 2.366 178.239 176.094 -0.367 0.000 1.122 859 V CA 2.262 64.219 62.300 -0.572 0.000 1.141 859 V CB -0.680 30.836 31.823 -0.511 0.000 0.735 859 V HN 0.723 nan 8.190 nan 0.000 0.498 860 R N -1.293 119.008 120.500 -0.332 0.000 2.307 860 R HA 0.208 4.546 4.340 -0.003 0.000 0.200 860 R C 1.846 178.027 176.300 -0.198 0.000 0.893 860 R CA 0.322 56.280 56.100 -0.236 0.000 1.042 860 R CB 0.031 30.192 30.300 -0.231 0.000 1.059 860 R HN 0.443 nan 8.270 nan 0.000 0.530 861 L N 1.801 122.871 121.223 -0.254 0.000 2.079 861 L HA -0.159 4.179 4.340 -0.003 0.000 0.210 861 L C 1.644 178.301 176.870 -0.354 0.000 1.081 861 L CA 2.319 56.988 54.840 -0.285 0.000 0.752 861 L CB -0.326 41.487 42.059 -0.409 0.000 0.896 861 L HN 0.320 nan 8.230 nan 0.000 0.433 862 D N -1.141 119.040 120.400 -0.364 0.000 2.191 862 D HA -0.082 4.556 4.640 -0.003 0.000 0.221 862 D C 2.142 178.471 176.300 0.048 0.000 1.006 862 D CA 1.480 55.312 54.000 -0.280 0.000 0.910 862 D CB -0.315 40.433 40.800 -0.086 0.000 1.031 862 D HN 0.233 nan 8.370 nan 0.000 0.447 863 A N 0.482 123.324 122.820 0.038 0.000 1.936 863 A HA -0.356 3.963 4.320 -0.003 0.000 0.260 863 A C 2.265 179.972 177.584 0.206 0.000 2.436 863 A CA 3.016 55.090 52.037 0.060 0.000 0.777 863 A CB -1.189 17.780 19.000 -0.052 0.000 0.823 863 A HN 0.532 nan 8.150 nan 0.000 0.576 864 M N -2.992 116.785 119.600 0.294 0.000 2.506 864 M HA 0.093 4.571 4.480 -0.003 0.000 0.260 864 M C 1.663 178.386 176.300 0.705 0.000 1.104 864 M CA 0.810 56.426 55.300 0.526 0.000 1.112 864 M CB -0.678 32.078 32.600 0.259 0.000 1.401 864 M HN 0.465 nan 8.290 nan 0.000 0.473 865 F N 0.911 121.057 119.950 0.327 0.000 2.138 865 F HA 0.052 4.578 4.527 -0.003 0.000 0.283 865 F C 2.442 178.415 175.800 0.288 0.000 1.100 865 F CA 0.997 59.187 58.000 0.317 0.000 1.189 865 F CB -0.855 38.336 39.000 0.317 0.000 1.060 865 F HN -0.029 nan 8.300 nan 0.000 0.492 866 R N 0.566 121.362 120.500 0.492 0.000 2.185 866 R HA -0.179 4.159 4.340 -0.003 0.000 0.247 866 R C 2.132 178.544 176.300 0.187 0.000 1.159 866 R CA 1.166 57.439 56.100 0.289 0.000 0.988 866 R CB -1.050 29.362 30.300 0.185 0.000 0.871 866 R HN 0.331 nan 8.270 nan 0.000 0.458 867 A N 0.135 123.083 122.820 0.214 0.000 1.824 867 A HA -0.182 4.136 4.320 -0.003 0.000 0.215 867 A C 1.914 179.506 177.584 0.014 0.000 1.209 867 A CA 1.314 53.431 52.037 0.132 0.000 0.614 867 A CB -0.987 18.182 19.000 0.280 0.000 0.852 867 A HN 0.367 nan 8.150 nan 0.000 0.447 868 F N 1.105 120.935 119.950 -0.200 0.000 2.380 868 F HA -0.212 4.314 4.527 -0.003 0.000 0.299 868 F C 2.563 178.256 175.800 -0.178 0.000 1.064 868 F CA 2.086 59.847 58.000 -0.398 0.000 1.432 868 F CB -0.089 38.605 39.000 -0.511 0.000 1.089 868 F HN 0.303 nan 8.300 nan 0.000 0.562 869 R N -1.108 119.468 120.500 0.127 0.000 2.250 869 R HA 0.174 4.512 4.340 -0.003 0.000 0.194 869 R C 2.098 178.409 176.300 0.018 0.000 0.927 869 R CA 0.802 56.967 56.100 0.108 0.000 1.052 869 R CB -1.222 29.192 30.300 0.191 0.000 1.055 869 R HN 0.264 nan 8.270 nan 0.000 0.537 870 S N 0.527 116.232 115.700 0.008 0.000 2.382 870 S HA -0.029 4.439 4.470 -0.003 0.000 0.228 870 S C 1.508 176.063 174.600 -0.075 0.000 1.027 870 S CA 1.325 59.512 58.200 -0.022 0.000 0.991 870 S CB -0.136 63.059 63.200 -0.010 0.000 0.823 870 S HN 0.391 nan 8.310 nan 0.000 0.469 871 L N 1.337 122.471 121.223 -0.148 0.000 2.612 871 L HA 0.310 4.648 4.340 -0.003 0.000 0.230 871 L C 0.403 177.114 176.870 -0.265 0.000 1.140 871 L CA 0.596 55.307 54.840 -0.214 0.000 0.896 871 L CB 0.219 42.094 42.059 -0.306 0.000 1.065 871 L HN 0.215 nan 8.230 nan 0.000 0.447 872 D N -0.994 119.274 120.400 -0.220 0.000 2.992 872 D HA 0.191 4.830 4.640 -0.003 0.000 0.372 872 D C 1.564 177.817 176.300 -0.079 0.000 1.374 872 D CA 0.646 54.528 54.000 -0.196 0.000 0.769 872 D CB 0.179 40.805 40.800 -0.291 0.000 1.215 872 D HN -0.038 nan 8.370 nan 0.000 0.473 873 K N 0.969 121.331 120.400 -0.064 0.000 2.127 873 K HA -0.291 4.028 4.320 -0.003 0.000 0.222 873 K C 0.972 177.562 176.600 -0.016 0.000 1.034 873 K CA 2.248 58.516 56.287 -0.031 0.000 0.955 873 K CB -1.701 30.780 32.500 -0.032 0.000 0.786 873 K HN 0.668 nan 8.250 nan 0.000 0.465 874 N N 0.186 118.871 118.700 -0.026 0.000 3.301 874 N HA 0.411 5.149 4.740 -0.003 0.000 0.289 874 N C 0.340 175.853 175.510 0.005 0.000 1.343 874 N CA -0.109 52.937 53.050 -0.008 0.000 1.136 874 N CB 0.838 39.318 38.487 -0.012 0.000 1.402 874 N HN 0.586 nan 8.380 nan 0.000 0.516 875 G N 1.455 110.269 108.800 0.025 0.000 2.759 875 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.325 875 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.325 875 G C 1.176 176.103 174.900 0.045 0.000 0.312 875 G CA 0.535 45.666 45.100 0.051 0.000 1.249 875 G HN 0.508 nan 8.290 nan 0.000 0.331 876 T N -1.140 113.430 114.554 0.027 0.000 3.148 876 T HA 0.341 4.689 4.350 -0.003 0.000 0.253 876 T C 2.074 176.807 174.700 0.054 0.000 1.134 876 T CA 0.603 62.716 62.100 0.022 0.000 1.051 876 T CB 0.164 69.025 68.868 -0.011 0.000 0.959 876 T HN 1.793 nan 8.240 nan 0.000 0.525 877 G N -0.653 108.213 108.800 0.109 0.000 2.212 877 G HA2 0.007 3.965 3.960 -0.003 0.000 0.266 877 G HA3 0.007 3.965 3.960 -0.003 0.000 0.266 877 G C 0.098 175.173 174.900 0.291 0.000 0.978 877 G CA 0.766 45.967 45.100 0.168 0.000 0.632 877 G HN 1.217 nan 8.290 nan 0.000 0.537 878 Q N -0.749 119.164 119.800 0.188 0.000 2.882 878 Q HA 0.960 5.298 4.340 -0.003 0.000 0.315 878 Q C -0.230 175.612 176.000 -0.264 0.000 1.004 878 Q CA -0.259 55.650 55.803 0.177 0.000 0.777 878 Q CB 1.414 30.191 28.738 0.064 0.000 1.506 878 Q HN 1.873 nan 8.270 nan 0.000 0.489 879 I N -4.890 115.429 120.570 -0.418 0.000 2.827 879 I HA 0.915 5.084 4.170 -0.003 0.000 0.298 879 I C -0.464 175.448 176.117 -0.343 0.000 1.235 879 I CA -1.058 59.894 61.300 -0.581 0.000 1.021 879 I CB 1.742 39.135 38.000 -1.012 0.000 1.259 879 I HN 0.902 nan 8.210 nan 0.000 0.427 880 Q N 3.928 123.569 119.800 -0.265 0.000 2.323 880 Q HA 0.841 5.179 4.340 -0.003 0.000 0.271 880 Q C -0.967 174.944 176.000 -0.149 0.000 1.048 880 Q CA -0.268 55.424 55.803 -0.186 0.000 0.792 880 Q CB 2.175 30.828 28.738 -0.140 0.000 1.280 880 Q HN 1.493 nan 8.270 nan 0.000 0.441 881 V N -1.165 118.683 119.914 -0.111 0.000 3.084 881 V HA 0.975 5.094 4.120 -0.003 0.000 0.311 881 V C -0.785 175.339 176.094 0.049 0.000 1.311 881 V CA -0.283 62.007 62.300 -0.017 0.000 1.062 881 V CB 2.260 34.138 31.823 0.091 0.000 1.113 881 V HN 1.446 nan 8.190 nan 0.000 0.468 882 N N -1.328 117.469 118.700 0.162 0.000 3.316 882 N HA 0.466 5.204 4.740 -0.003 0.000 0.300 882 N C 0.267 175.948 175.510 0.285 0.000 1.567 882 N CA -0.206 52.990 53.050 0.243 0.000 0.821 882 N CB 0.594 39.147 38.487 0.109 0.000 1.748 882 N HN 0.689 nan 8.380 nan 0.000 0.603 883 I N -0.230 120.350 120.570 0.017 0.000 2.163 883 I HA -0.190 3.978 4.170 -0.003 0.000 0.243 883 I C 2.083 178.123 176.117 -0.129 0.000 1.085 883 I CA 1.867 62.952 61.300 -0.358 0.000 1.347 883 I CB -0.792 36.911 38.000 -0.495 0.000 1.044 883 I HN 0.818 nan 8.210 nan 0.000 0.408 884 Q N 0.332 120.092 119.800 -0.067 0.000 2.226 884 Q HA -0.203 4.135 4.340 -0.003 0.000 0.204 884 Q C 1.932 177.928 176.000 -0.005 0.000 0.975 884 Q CA 2.000 57.773 55.803 -0.050 0.000 0.866 884 Q CB 0.007 28.725 28.738 -0.033 0.000 0.915 884 Q HN 0.693 nan 8.270 nan 0.000 0.440 885 E N -1.516 118.725 120.200 0.067 0.000 2.206 885 E HA -0.047 4.301 4.350 -0.003 0.000 0.195 885 E C 1.422 178.118 176.600 0.159 0.000 0.935 885 E CA 0.027 56.477 56.400 0.082 0.000 0.875 885 E CB -0.483 29.266 29.700 0.082 0.000 0.841 885 E HN 0.401 nan 8.360 nan 0.000 0.477 886 W N 2.316 123.640 121.300 0.040 0.000 2.304 886 W HA -0.270 4.389 4.660 -0.003 0.000 0.315 886 W C 1.559 178.094 176.519 0.028 0.000 1.233 886 W CA 1.365 58.765 57.345 0.092 0.000 1.261 886 W CB -0.180 29.417 29.460 0.228 0.000 1.150 886 W HN 0.076 nan 8.180 nan 0.000 0.494 887 L N 0.257 121.440 121.223 -0.066 0.000 2.081 887 L HA -0.304 4.034 4.340 -0.003 0.000 0.212 887 L C 2.689 179.451 176.870 -0.180 0.000 1.080 887 L CA 1.649 56.349 54.840 -0.233 0.000 0.754 887 L CB -0.966 40.944 42.059 -0.248 0.000 0.893 887 L HN 0.137 nan 8.230 nan 0.000 0.433 888 Q N -0.445 119.303 119.800 -0.087 0.000 2.163 888 Q HA -0.044 4.294 4.340 -0.003 0.000 0.198 888 Q C 2.128 178.120 176.000 -0.014 0.000 0.954 888 Q CA 0.730 56.510 55.803 -0.039 0.000 0.851 888 Q CB 0.149 28.882 28.738 -0.009 0.000 0.928 888 Q HN 0.480 nan 8.270 nan 0.000 0.459 889 L N 0.273 121.481 121.223 -0.025 0.000 2.610 889 L HA -0.024 4.315 4.340 -0.003 0.000 0.232 889 L C 1.294 178.078 176.870 -0.143 0.000 1.149 889 L CA 0.957 55.809 54.840 0.020 0.000 0.872 889 L CB 0.139 42.323 42.059 0.208 0.000 0.992 889 L HN 0.292 nan 8.230 nan 0.000 0.447 890 T N -6.992 107.408 114.554 -0.255 0.000 3.131 890 T HA 0.186 4.534 4.350 -0.003 0.000 0.283 890 T C 1.236 175.800 174.700 -0.226 0.000 0.906 890 T CA -0.298 61.587 62.100 -0.357 0.000 0.882 890 T CB 0.255 68.725 68.868 -0.664 0.000 1.208 890 T HN -0.072 nan 8.240 nan 0.000 0.561 891 M N 0.235 119.750 119.600 -0.142 0.000 2.331 891 M HA 0.410 4.889 4.480 -0.003 0.000 0.266 891 M C -0.324 175.980 176.300 0.008 0.000 1.055 891 M CA 0.135 55.399 55.300 -0.060 0.000 1.048 891 M CB 0.166 32.744 32.600 -0.036 0.000 1.460 891 M HN 0.280 nan 8.290 nan 0.000 0.519 892 Y N 1.892 122.099 120.300 -0.155 0.000 2.958 892 Y HA 0.527 5.076 4.550 -0.003 0.000 0.336 892 Y C 0.036 175.841 175.900 -0.157 0.000 1.160 892 Y CA -0.990 57.023 58.100 -0.145 0.000 1.292 892 Y CB -0.102 38.293 38.460 -0.107 0.000 1.306 892 Y HN 0.233 nan 8.280 nan 0.000 0.547 893 S N 0.000 115.576 115.700 -0.207 0.000 2.498 893 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 893 S CA 0.000 58.030 58.200 -0.283 0.000 1.107 893 S CB 0.000 63.048 63.200 -0.253 0.000 0.593 893 S HN 0.000 nan 8.310 nan 0.000 0.517