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 3i6e_1_B DATA FIRST_RESID 6 DATA SEQUENCE LEQKIIAMDL WHLALPVXXX XXXXXXXXXX XCEIVVLRLV AEGGAEGFGE DATA SEQUENCE ASPWAVFTGT PEASYAALDR YLRPLVIGRR VGDRVAIMDE AARAVAHCTE DATA SEQUENCE AKAALDSALL DLAGRISNLP VWALLGGKCR DTIPLSCSIA NPDFDADIAL DATA SEQUENCE MERLRADGVG LIKLKTGFRD HAFDIMRLEL IARDFPEFRV RVDYNQGLEI DATA SEQUENCE DEAVPRVLDV AQFQPDFIEQ PVRAHHFELM ARLRGLTDVP LLADESVYGP DATA SEQUENCE EDMVRAAHEG ICDGVSIKIM KSGGLTRAQT VARIAAAHGL MAYGGDMFEA DATA SEQUENCE GLAHLAGTHM IAATPEITLG CEFYQASYFL NEDILETPFR VEAGQVIVPD DATA SEQUENCE GPGLGARADP EKLEHYAVRR 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.860 176.870 -0.016 0.000 1.165 6 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 6 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 7 E N 0.905 121.096 120.200 -0.014 0.000 2.481 7 E HA 0.043 4.392 4.350 -0.001 0.000 0.195 7 E C 0.427 177.019 176.600 -0.014 0.000 1.047 7 E CA 0.297 56.689 56.400 -0.012 0.000 0.867 7 E CB 0.158 29.852 29.700 -0.010 0.000 0.858 7 E HN 0.527 nan 8.360 nan 0.000 0.513 8 Q N 1.244 121.035 119.800 -0.016 0.000 2.386 8 Q HA 0.003 4.342 4.340 -0.001 0.000 0.282 8 Q C 0.066 176.055 176.000 -0.019 0.000 1.050 8 Q CA 0.560 56.353 55.803 -0.017 0.000 0.918 8 Q CB 0.577 29.303 28.738 -0.019 0.000 1.266 8 Q HN -0.210 nan 8.270 nan 0.000 0.423 9 K N 1.977 122.365 120.400 -0.019 0.000 2.110 9 K HA 0.404 4.723 4.320 -0.001 0.000 0.263 9 K C -0.178 176.406 176.600 -0.026 0.000 0.975 9 K CA -0.546 55.728 56.287 -0.021 0.000 0.895 9 K CB 1.024 33.512 32.500 -0.020 0.000 1.060 9 K HN 0.509 nan 8.250 nan 0.000 0.448 10 I N 3.897 124.450 120.570 -0.029 0.000 2.396 10 I HA 0.081 4.250 4.170 -0.001 0.000 0.289 10 I C 1.652 177.748 176.117 -0.036 0.000 1.056 10 I CA -0.000 61.278 61.300 -0.036 0.000 1.365 10 I CB 0.374 38.351 38.000 -0.038 0.000 1.407 10 I HN 0.598 nan 8.210 nan 0.000 0.509 11 I N 3.084 123.631 120.570 -0.038 0.000 4.070 11 I HA 0.559 4.728 4.170 -0.001 0.000 0.328 11 I C 0.654 176.745 176.117 -0.042 0.000 1.298 11 I CA 0.010 61.288 61.300 -0.036 0.000 1.173 11 I CB 0.409 38.392 38.000 -0.030 0.000 1.051 11 I HN 0.496 nan 8.210 nan 0.000 0.409 12 A N 1.735 124.524 122.820 -0.051 0.000 2.572 12 A HA 0.784 5.103 4.320 -0.001 0.000 0.295 12 A C -1.079 176.459 177.584 -0.076 0.000 1.072 12 A CA -0.550 51.450 52.037 -0.061 0.000 0.691 12 A CB 1.959 20.926 19.000 -0.054 0.000 1.291 12 A HN 0.302 nan 8.150 nan 0.000 0.404 13 M N 2.307 121.852 119.600 -0.092 0.000 2.165 13 M HA 0.423 4.903 4.480 -0.001 0.000 0.283 13 M C -2.095 174.111 176.300 -0.157 0.000 0.978 13 M CA -0.408 54.825 55.300 -0.112 0.000 0.948 13 M CB 1.477 34.012 32.600 -0.108 0.000 1.599 13 M HN 0.732 nan 8.290 nan 0.000 0.450 14 D N 5.621 125.910 120.400 -0.184 0.000 2.342 14 D HA 0.694 5.333 4.640 -0.001 0.000 0.243 14 D C -0.993 175.033 176.300 -0.458 0.000 1.019 14 D CA -0.220 53.559 54.000 -0.368 0.000 0.864 14 D CB 2.579 43.143 40.800 -0.394 0.000 1.315 14 D HN 0.593 nan 8.370 nan 0.000 0.468 15 L N 0.416 121.238 121.223 -0.669 0.000 2.371 15 L HA 0.557 4.897 4.340 -0.001 0.000 0.262 15 L C -1.018 175.598 176.870 -0.424 0.000 1.006 15 L CA -0.856 53.750 54.840 -0.391 0.000 0.818 15 L CB 2.744 44.581 42.059 -0.370 0.000 1.354 15 L HN 0.216 nan 8.230 nan 0.000 0.415 16 W N 1.122 122.568 121.300 0.243 0.000 3.097 16 W HA 0.287 4.946 4.660 -0.001 0.000 0.335 16 W C -0.822 175.905 176.519 0.347 0.000 1.114 16 W CA -0.611 56.901 57.345 0.278 0.000 1.231 16 W CB 1.791 31.369 29.460 0.197 0.000 1.388 16 W HN 0.585 nan 8.180 nan 0.000 0.485 17 H N 3.955 123.257 119.070 0.387 0.000 2.690 17 H HA 0.475 5.030 4.556 -0.002 0.000 0.280 17 H C -0.692 174.745 175.328 0.182 0.000 1.138 17 H CA -0.287 55.906 56.048 0.242 0.000 1.241 17 H CB 0.434 30.222 29.762 0.042 0.000 1.394 17 H HN 0.261 nan 8.280 nan 0.000 0.489 18 L N 3.746 125.205 121.223 0.394 0.000 2.379 18 L HA 0.583 4.923 4.340 -0.001 0.000 0.269 18 L C 0.028 176.982 176.870 0.140 0.000 1.084 18 L CA -0.967 54.000 54.840 0.211 0.000 0.802 18 L CB 1.569 43.727 42.059 0.164 0.000 1.175 18 L HN 0.629 nan 8.230 nan 0.000 0.448 19 A N 3.580 126.430 122.820 0.050 0.000 2.545 19 A HA 0.649 4.968 4.320 -0.001 0.000 0.300 19 A C -0.755 176.799 177.584 -0.050 0.000 1.252 19 A CA -0.429 51.609 52.037 0.002 0.000 0.753 19 A CB 0.355 19.333 19.000 -0.036 0.000 1.144 19 A HN 0.605 nan 8.150 nan 0.000 0.457 20 L N 4.321 125.463 121.223 -0.135 0.000 2.275 20 L HA 0.439 4.778 4.340 -0.001 0.000 0.288 20 L C -1.879 174.840 176.870 -0.251 0.000 1.046 20 L CA -1.923 52.716 54.840 -0.336 0.000 0.805 20 L CB 1.440 43.292 42.059 -0.345 0.000 1.193 20 L HN 0.478 nan 8.230 nan 0.000 0.426 21 P HA 0.152 nan 4.420 nan 0.000 0.272 21 P C -0.646 176.503 177.300 -0.252 0.000 1.223 21 P CA -0.160 62.838 63.100 -0.170 0.000 0.784 21 P CB 1.620 33.279 31.700 -0.069 0.000 0.923 38 E N 4.873 125.149 120.200 0.127 0.000 2.216 38 E HA 0.797 5.146 4.350 -0.001 0.000 0.279 38 E C -0.075 176.633 176.600 0.180 0.000 0.997 38 E CA -0.404 56.095 56.400 0.165 0.000 0.817 38 E CB 1.747 31.579 29.700 0.220 0.000 1.096 38 E HN 0.759 nan 8.360 nan 0.000 0.393 39 I N -2.051 118.632 120.570 0.190 0.000 3.191 39 I HA 0.627 4.796 4.170 -0.001 0.000 0.313 39 I C -1.197 175.035 176.117 0.190 0.000 1.193 39 I CA -1.284 60.108 61.300 0.154 0.000 0.968 39 I CB 1.932 39.995 38.000 0.105 0.000 1.262 39 I HN 0.158 nan 8.210 nan 0.000 0.456 40 V N 3.299 123.308 119.914 0.159 0.000 2.444 40 V HA 0.475 4.594 4.120 -0.001 0.000 0.294 40 V C -0.152 176.072 176.094 0.218 0.000 1.022 40 V CA -0.607 61.821 62.300 0.213 0.000 0.850 40 V CB 1.686 33.604 31.823 0.158 0.000 0.992 40 V HN 0.532 nan 8.190 nan 0.000 0.426 41 V N 6.024 126.132 119.914 0.323 0.000 2.483 41 V HA 0.561 4.680 4.120 -0.001 0.000 0.295 41 V C -0.343 176.026 176.094 0.458 0.000 1.035 41 V CA -0.597 61.914 62.300 0.351 0.000 0.896 41 V CB 1.748 33.764 31.823 0.323 0.000 0.986 41 V HN 0.690 nan 8.190 nan 0.000 0.447 42 L N 5.212 126.643 121.223 0.347 0.000 2.362 42 L HA 0.745 5.084 4.340 -0.001 0.000 0.271 42 L C -0.492 176.503 176.870 0.209 0.000 1.002 42 L CA -0.273 54.712 54.840 0.240 0.000 0.818 42 L CB 1.605 43.720 42.059 0.093 0.000 1.298 42 L HN 0.715 nan 8.230 nan 0.000 0.420 43 R N 5.208 125.767 120.500 0.098 0.000 2.575 43 R HA 0.657 4.997 4.340 -0.001 0.000 0.293 43 R C -2.075 174.126 176.300 -0.166 0.000 0.983 43 R CA -0.654 55.325 56.100 -0.201 0.000 0.887 43 R CB 1.327 31.524 30.300 -0.172 0.000 1.184 43 R HN 0.824 nan 8.270 nan 0.000 0.445 44 L N 3.948 125.044 121.223 -0.211 0.000 2.346 44 L HA 0.623 4.962 4.340 -0.001 0.000 0.274 44 L C -0.739 176.048 176.870 -0.138 0.000 1.007 44 L CA -1.218 53.541 54.840 -0.135 0.000 0.818 44 L CB 2.304 44.303 42.059 -0.100 0.000 1.284 44 L HN 0.318 nan 8.230 nan 0.000 0.424 45 V N 1.680 121.537 119.914 -0.094 0.000 2.588 45 V HA 0.674 4.793 4.120 -0.001 0.000 0.304 45 V C 0.093 176.155 176.094 -0.054 0.000 1.042 45 V CA -0.570 61.685 62.300 -0.073 0.000 0.877 45 V CB 1.714 33.503 31.823 -0.056 0.000 0.996 45 V HN 0.881 nan 8.190 nan 0.000 0.425 46 A N 2.750 125.543 122.820 -0.046 0.000 2.269 46 A HA 0.598 4.917 4.320 -0.001 0.000 0.319 46 A C 0.987 178.554 177.584 -0.027 0.000 1.110 46 A CA -0.389 51.627 52.037 -0.036 0.000 0.847 46 A CB 0.483 19.463 19.000 -0.033 0.000 1.161 46 A HN 0.920 nan 8.150 nan 0.000 0.497 47 E N 1.025 121.211 120.200 -0.023 0.000 2.114 47 E HA -0.233 4.116 4.350 -0.001 0.000 0.199 47 E C 1.758 178.348 176.600 -0.015 0.000 1.008 47 E CA 1.539 57.928 56.400 -0.019 0.000 0.810 47 E CB -0.231 29.459 29.700 -0.017 0.000 0.739 47 E HN 0.855 nan 8.360 nan 0.000 0.456 48 G N -0.678 108.112 108.800 -0.016 0.000 2.625 48 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.214 48 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.214 48 G C 1.096 175.990 174.900 -0.011 0.000 1.132 48 G CA 0.644 45.736 45.100 -0.013 0.000 0.782 48 G HN 0.479 nan 8.290 nan 0.000 0.538 49 G N -1.241 107.551 108.800 -0.013 0.000 2.232 49 G HA2 0.106 4.065 3.960 -0.001 0.000 0.226 49 G HA3 0.106 4.065 3.960 -0.001 0.000 0.226 49 G C 0.657 175.551 174.900 -0.011 0.000 0.996 49 G CA 0.373 45.468 45.100 -0.009 0.000 0.626 49 G HN 1.383 nan 8.290 nan 0.000 0.509 50 A N 0.330 123.141 122.820 -0.016 0.000 2.445 50 A HA 0.594 4.913 4.320 -0.001 0.000 0.242 50 A C 0.356 177.918 177.584 -0.036 0.000 1.075 50 A CA 0.748 52.774 52.037 -0.018 0.000 0.777 50 A CB 0.228 19.216 19.000 -0.021 0.000 1.013 50 A HN 0.545 nan 8.150 nan 0.000 0.493 51 E N 0.060 120.237 120.200 -0.039 0.000 2.256 51 E HA 0.591 4.940 4.350 -0.001 0.000 0.267 51 E C -0.205 176.325 176.600 -0.117 0.000 0.892 51 E CA -0.734 55.602 56.400 -0.107 0.000 0.775 51 E CB 2.294 31.919 29.700 -0.126 0.000 1.207 51 E HN 0.776 nan 8.360 nan 0.000 0.420 52 G N 1.483 110.156 108.800 -0.213 0.000 2.566 52 G HA2 0.600 4.559 3.960 -0.001 0.000 0.311 52 G HA3 0.600 4.559 3.960 -0.001 0.000 0.311 52 G C -1.436 173.303 174.900 -0.269 0.000 1.322 52 G CA -0.391 44.626 45.100 -0.140 0.000 0.969 52 G HN 0.245 nan 8.290 nan 0.000 0.490 53 F N 0.411 120.366 119.950 0.008 0.000 2.507 53 F HA 0.814 5.340 4.527 -0.001 0.000 0.327 53 F C 0.741 176.546 175.800 0.008 0.000 1.068 53 F CA -0.298 57.714 58.000 0.020 0.000 0.965 53 F CB 2.963 41.961 39.000 -0.003 0.000 1.192 53 F HN 0.706 nan 8.300 nan 0.000 0.476 54 G N 1.223 110.167 108.800 0.240 0.000 2.733 54 G HA2 0.509 4.468 3.960 -0.001 0.000 0.297 54 G HA3 0.509 4.468 3.960 -0.001 0.000 0.297 54 G C -2.261 172.718 174.900 0.131 0.000 1.422 54 G CA -0.623 44.555 45.100 0.131 0.000 0.942 54 G HN 0.572 nan 8.290 nan 0.000 0.510 55 E N 0.283 120.527 120.200 0.073 0.000 2.238 55 E HA 0.699 5.048 4.350 -0.001 0.000 0.267 55 E C -0.750 175.884 176.600 0.056 0.000 0.887 55 E CA -1.051 55.386 56.400 0.062 0.000 0.769 55 E CB 2.113 31.814 29.700 0.002 0.000 1.187 55 E HN 0.752 nan 8.360 nan 0.000 0.416 56 A N 2.477 125.342 122.820 0.075 0.000 2.319 56 A HA 0.507 4.826 4.320 -0.001 0.000 0.310 56 A C -0.961 176.678 177.584 0.092 0.000 1.152 56 A CA -0.699 51.386 52.037 0.080 0.000 0.783 56 A CB 1.426 20.476 19.000 0.084 0.000 1.184 56 A HN 0.445 nan 8.150 nan 0.000 0.474 57 S N 4.254 120.015 115.700 0.102 0.000 2.252 57 S HA 0.405 4.875 4.470 -0.001 0.000 0.180 57 S C -2.840 171.882 174.600 0.203 0.000 1.534 57 S CA -0.948 57.337 58.200 0.141 0.000 1.141 57 S CB 0.270 63.539 63.200 0.116 0.000 1.122 57 S HN 0.568 nan 8.310 nan 0.000 0.475 58 P HA 0.081 nan 4.420 nan 0.000 0.271 58 P C -0.710 176.796 177.300 0.343 0.000 1.216 58 P CA -0.275 62.959 63.100 0.224 0.000 0.776 58 P CB 0.503 32.280 31.700 0.128 0.000 0.881 59 W N 3.998 125.360 121.300 0.104 0.000 2.413 59 W HA 0.370 5.029 4.660 -0.002 0.000 0.308 59 W C 0.668 177.196 176.519 0.015 0.000 0.997 59 W CA -0.731 56.650 57.345 0.060 0.000 1.447 59 W CB 1.297 30.814 29.460 0.095 0.000 1.263 59 W HN 0.550 nan 8.180 nan 0.000 0.416 60 A N 2.813 125.435 122.820 -0.330 0.000 1.944 60 A HA -0.334 3.985 4.320 -0.001 0.000 0.222 60 A C 1.825 179.279 177.584 -0.217 0.000 1.237 60 A CA 3.257 55.135 52.037 -0.264 0.000 0.668 60 A CB -0.981 17.821 19.000 -0.331 0.000 0.830 60 A HN 0.944 nan 8.150 nan 0.000 0.471 61 V N -5.179 114.486 119.914 -0.414 0.000 3.041 61 V HA 0.072 4.191 4.120 -0.001 0.000 0.260 61 V C 1.843 178.075 176.094 0.230 0.000 1.105 61 V CA 1.537 63.723 62.300 -0.190 0.000 1.125 61 V CB -0.780 30.834 31.823 -0.349 0.000 0.730 61 V HN 0.344 nan 8.190 nan 0.000 0.479 62 F N 1.845 121.930 119.950 0.224 0.000 2.534 62 F HA 0.228 4.754 4.527 -0.002 0.000 0.274 62 F C 2.726 178.700 175.800 0.290 0.000 0.917 62 F CA 1.334 59.518 58.000 0.306 0.000 1.145 62 F CB -1.300 37.960 39.000 0.432 0.000 1.145 62 F HN 0.232 nan 8.300 nan 0.000 0.746 63 T N -2.039 112.833 114.554 0.530 0.000 2.978 63 T HA 0.530 4.879 4.350 -0.001 0.000 0.262 63 T C 1.006 175.857 174.700 0.252 0.000 1.063 63 T CA 0.759 63.114 62.100 0.425 0.000 1.140 63 T CB -0.030 69.060 68.868 0.370 0.000 0.886 63 T HN 0.525 nan 8.240 nan 0.000 0.470 64 G N 0.635 109.542 108.800 0.178 0.000 2.369 64 G HA2 0.370 4.329 3.960 -0.001 0.000 0.307 64 G HA3 0.370 4.329 3.960 -0.001 0.000 0.307 64 G C -0.578 174.353 174.900 0.052 0.000 1.327 64 G CA -0.453 44.697 45.100 0.083 0.000 0.963 64 G HN 0.726 nan 8.290 nan 0.000 0.590 65 T N -1.080 113.484 114.554 0.017 0.000 2.918 65 T HA 0.726 5.075 4.350 -0.001 0.000 0.283 65 T C -1.012 173.685 174.700 -0.004 0.000 1.001 65 T CA -0.807 61.287 62.100 -0.011 0.000 1.041 65 T CB 2.435 71.289 68.868 -0.022 0.000 1.028 65 T HN 0.367 nan 8.240 nan 0.000 0.511 66 P HA -0.036 nan 4.420 nan 0.000 0.219 66 P C 0.915 178.117 177.300 -0.163 0.000 1.150 66 P CA 0.993 64.006 63.100 -0.145 0.000 0.814 66 P CB 0.213 31.745 31.700 -0.281 0.000 0.787 67 E N 0.693 120.838 120.200 -0.092 0.000 2.077 67 E HA -0.104 4.245 4.350 -0.001 0.000 0.193 67 E C 2.353 179.001 176.600 0.079 0.000 0.989 67 E CA 1.597 57.994 56.400 -0.005 0.000 0.800 67 E CB -1.206 28.507 29.700 0.021 0.000 0.746 67 E HN 0.178 nan 8.360 nan 0.000 0.452 68 A N 0.366 123.221 122.820 0.057 0.000 1.883 68 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 68 A C 2.367 180.010 177.584 0.098 0.000 1.186 68 A CA 1.995 54.078 52.037 0.077 0.000 0.624 68 A CB -0.743 18.289 19.000 0.054 0.000 0.822 68 A HN 0.202 nan 8.150 nan 0.000 0.444 69 S N -2.121 113.630 115.700 0.085 0.000 2.402 69 S HA -0.105 4.364 4.470 -0.001 0.000 0.229 69 S C 1.758 176.412 174.600 0.090 0.000 1.021 69 S CA 1.194 59.444 58.200 0.085 0.000 0.974 69 S CB -0.494 62.751 63.200 0.075 0.000 0.800 69 S HN 0.663 nan 8.310 nan 0.000 0.484 70 Y N 2.264 122.558 120.300 -0.011 0.000 2.145 70 Y HA -0.168 4.381 4.550 -0.001 0.000 0.286 70 Y C 2.401 178.326 175.900 0.041 0.000 1.145 70 Y CA 1.298 59.397 58.100 -0.002 0.000 1.148 70 Y CB -0.594 37.843 38.460 -0.038 0.000 0.981 70 Y HN 0.237 nan 8.280 nan 0.000 0.507 71 A N 0.360 123.341 122.820 0.268 0.000 1.930 71 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 71 A C 2.391 180.124 177.584 0.247 0.000 1.175 71 A CA 1.670 53.854 52.037 0.246 0.000 0.627 71 A CB -1.486 17.685 19.000 0.284 0.000 0.815 71 A HN 0.607 nan 8.150 nan 0.000 0.443 72 A N -0.229 122.718 122.820 0.212 0.000 1.883 72 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 72 A C 2.209 179.880 177.584 0.146 0.000 1.186 72 A CA 1.695 53.862 52.037 0.217 0.000 0.624 72 A CB -0.591 18.465 19.000 0.094 0.000 0.822 72 A HN 0.478 nan 8.150 nan 0.000 0.444 73 L N -1.155 120.079 121.223 0.018 0.000 2.023 73 L HA -0.131 4.208 4.340 -0.001 0.000 0.205 73 L C 2.476 179.276 176.870 -0.117 0.000 1.073 73 L CA 1.623 56.427 54.840 -0.060 0.000 0.745 73 L CB -0.567 41.417 42.059 -0.124 0.000 0.900 73 L HN 0.388 nan 8.230 nan 0.000 0.435 74 D N -0.243 120.024 120.400 -0.221 0.000 2.123 74 D HA -0.237 4.402 4.640 -0.001 0.000 0.196 74 D C 2.311 178.516 176.300 -0.157 0.000 0.992 74 D CA 1.489 55.347 54.000 -0.237 0.000 0.833 74 D CB 0.181 40.787 40.800 -0.324 0.000 0.954 74 D HN 0.070 nan 8.370 nan 0.000 0.455 75 R N -2.043 118.362 120.500 -0.157 0.000 2.142 75 R HA 0.021 4.360 4.340 -0.001 0.000 0.204 75 R C 1.843 177.882 176.300 -0.434 0.000 1.059 75 R CA 0.264 56.159 56.100 -0.342 0.000 1.055 75 R CB -0.053 29.916 30.300 -0.552 0.000 0.976 75 R HN 0.211 nan 8.270 nan 0.000 0.483 76 Y N 0.135 120.419 120.300 -0.026 0.000 2.397 76 Y HA 0.124 4.674 4.550 -0.001 0.000 0.292 76 Y C 1.862 177.746 175.900 -0.026 0.000 1.115 76 Y CA 0.573 58.661 58.100 -0.020 0.000 1.208 76 Y CB 0.219 38.673 38.460 -0.010 0.000 1.046 76 Y HN -0.032 nan 8.280 nan 0.000 0.552 77 L N -0.734 120.546 121.223 0.095 0.000 2.354 77 L HA 0.072 4.411 4.340 -0.001 0.000 0.212 77 L C 2.492 179.357 176.870 -0.008 0.000 1.091 77 L CA 0.337 55.202 54.840 0.040 0.000 0.828 77 L CB -0.274 41.804 42.059 0.032 0.000 0.973 77 L HN 0.062 nan 8.230 nan 0.000 0.461 78 R N 1.463 121.940 120.500 -0.039 0.000 2.115 78 R HA -0.180 4.160 4.340 -0.001 0.000 0.239 78 R C -0.483 175.787 176.300 -0.049 0.000 1.133 78 R CA 2.256 58.320 56.100 -0.061 0.000 0.935 78 R CB -1.263 28.983 30.300 -0.090 0.000 0.853 78 R HN 0.209 nan 8.270 nan 0.000 0.433 79 P HA -0.158 nan 4.420 nan 0.000 0.222 79 P C 1.343 178.629 177.300 -0.023 0.000 1.147 79 P CA 0.975 64.052 63.100 -0.039 0.000 0.790 79 P CB -0.046 31.628 31.700 -0.043 0.000 0.780 80 L N -0.740 120.474 121.223 -0.014 0.000 2.270 80 L HA 0.003 4.342 4.340 -0.001 0.000 0.210 80 L C 2.276 179.139 176.870 -0.012 0.000 1.104 80 L CA 1.291 56.128 54.840 -0.006 0.000 0.804 80 L CB -0.605 41.458 42.059 0.007 0.000 0.937 80 L HN -0.233 nan 8.230 nan 0.000 0.450 81 V N -0.792 119.111 119.914 -0.019 0.000 2.581 81 V HA 0.056 4.175 4.120 -0.001 0.000 0.240 81 V C 1.173 177.249 176.094 -0.029 0.000 1.054 81 V CA -0.184 62.102 62.300 -0.024 0.000 1.076 81 V CB -0.163 31.643 31.823 -0.029 0.000 0.748 81 V HN 0.014 nan 8.190 nan 0.000 0.474 82 I N 2.018 122.567 120.570 -0.035 0.000 2.741 82 I HA 0.180 4.349 4.170 -0.001 0.000 0.288 82 I C 1.556 177.656 176.117 -0.030 0.000 1.192 82 I CA 1.753 63.031 61.300 -0.037 0.000 1.426 82 I CB -0.633 37.342 38.000 -0.042 0.000 1.367 82 I HN 0.544 nan 8.210 nan 0.000 0.563 83 G N 6.016 114.799 108.800 -0.028 0.000 2.195 83 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.246 83 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.246 83 G C 0.561 175.449 174.900 -0.020 0.000 0.984 83 G CA -0.415 44.671 45.100 -0.023 0.000 0.633 83 G HN 0.492 nan 8.290 nan 0.000 0.525 84 R N 0.499 120.986 120.500 -0.021 0.000 2.560 84 R HA 0.506 4.846 4.340 -0.001 0.000 0.270 84 R C 0.772 177.061 176.300 -0.018 0.000 1.074 84 R CA -0.570 55.520 56.100 -0.017 0.000 1.140 84 R CB 0.361 30.651 30.300 -0.016 0.000 1.073 84 R HN 0.390 nan 8.270 nan 0.000 0.527 85 R N 0.487 120.978 120.500 -0.016 0.000 2.438 85 R HA 0.096 4.435 4.340 -0.001 0.000 0.287 85 R C 1.443 177.732 176.300 -0.017 0.000 1.077 85 R CA -0.399 55.692 56.100 -0.016 0.000 1.034 85 R CB 0.618 30.910 30.300 -0.013 0.000 0.993 85 R HN 0.303 nan 8.270 nan 0.000 0.459 86 V N 2.699 122.601 119.914 -0.020 0.000 2.380 86 V HA -0.233 3.887 4.120 -0.001 0.000 0.251 86 V C 2.144 178.226 176.094 -0.019 0.000 1.063 86 V CA 2.404 64.690 62.300 -0.023 0.000 1.055 86 V CB -0.624 31.183 31.823 -0.026 0.000 0.657 86 V HN 1.117 nan 8.190 nan 0.000 0.455 87 G N -0.732 108.058 108.800 -0.017 0.000 2.598 87 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.215 87 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.215 87 G C 0.796 175.690 174.900 -0.010 0.000 1.131 87 G CA 0.466 45.558 45.100 -0.013 0.000 0.785 87 G HN 0.527 nan 8.290 nan 0.000 0.539 88 D N -0.085 120.309 120.400 -0.009 0.000 2.434 88 D HA 0.084 4.723 4.640 -0.001 0.000 0.232 88 D C 1.946 178.243 176.300 -0.005 0.000 1.166 88 D CA -0.243 53.754 54.000 -0.006 0.000 0.830 88 D CB 0.237 41.033 40.800 -0.007 0.000 0.960 88 D HN 0.286 nan 8.370 nan 0.000 0.497 89 R N 0.542 121.038 120.500 -0.006 0.000 2.119 89 R HA -0.166 4.173 4.340 -0.001 0.000 0.246 89 R C 1.666 177.968 176.300 0.002 0.000 1.146 89 R CA 1.300 57.397 56.100 -0.004 0.000 0.962 89 R CB -0.136 30.161 30.300 -0.005 0.000 0.863 89 R HN 0.009 nan 8.270 nan 0.000 0.442 90 V N 0.898 120.814 119.914 0.004 0.000 2.287 90 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 90 V C 2.538 178.636 176.094 0.007 0.000 1.053 90 V CA 2.060 64.364 62.300 0.008 0.000 1.027 90 V CB -0.963 30.865 31.823 0.008 0.000 0.646 90 V HN 0.579 nan 8.190 nan 0.000 0.447 91 A N -0.062 122.761 122.820 0.004 0.000 1.877 91 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 91 A C 2.197 179.783 177.584 0.003 0.000 1.186 91 A CA 1.957 53.996 52.037 0.003 0.000 0.620 91 A CB -0.580 18.420 19.000 0.001 0.000 0.822 91 A HN 0.507 nan 8.150 nan 0.000 0.443 92 I N -0.719 119.852 120.570 0.001 0.000 2.208 92 I HA -0.293 3.876 4.170 -0.001 0.000 0.245 92 I C 2.527 178.648 176.117 0.006 0.000 1.097 92 I CA 1.289 62.590 61.300 0.001 0.000 1.363 92 I CB -0.317 37.681 38.000 -0.002 0.000 1.051 92 I HN 0.274 nan 8.210 nan 0.000 0.413 93 M N -0.349 119.256 119.600 0.008 0.000 2.254 93 M HA -0.149 4.330 4.480 -0.001 0.000 0.265 93 M C 1.839 178.147 176.300 0.014 0.000 1.066 93 M CA 1.435 56.742 55.300 0.013 0.000 1.123 93 M CB -1.226 31.384 32.600 0.017 0.000 1.388 93 M HN 0.193 nan 8.290 nan 0.000 0.425 94 D N 0.573 120.979 120.400 0.011 0.000 2.097 94 D HA -0.152 4.487 4.640 -0.001 0.000 0.197 94 D C 1.774 178.078 176.300 0.007 0.000 0.984 94 D CA 1.462 55.468 54.000 0.010 0.000 0.826 94 D CB 0.185 40.989 40.800 0.008 0.000 0.973 94 D HN 0.403 nan 8.370 nan 0.000 0.460 95 E N -0.131 120.073 120.200 0.006 0.000 2.106 95 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 95 E C 2.135 178.740 176.600 0.007 0.000 0.984 95 E CA 0.904 57.307 56.400 0.005 0.000 0.806 95 E CB -0.162 29.541 29.700 0.005 0.000 0.750 95 E HN 0.338 nan 8.360 nan 0.000 0.458 96 A N 1.508 124.335 122.820 0.010 0.000 1.940 96 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 96 A C 2.399 179.989 177.584 0.010 0.000 1.176 96 A CA 1.717 53.763 52.037 0.015 0.000 0.631 96 A CB -0.694 18.316 19.000 0.017 0.000 0.814 96 A HN 0.300 nan 8.150 nan 0.000 0.446 97 A N -0.427 122.398 122.820 0.007 0.000 1.972 97 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 97 A C 2.230 179.802 177.584 -0.020 0.000 1.169 97 A CA 1.519 53.557 52.037 0.000 0.000 0.635 97 A CB -0.362 18.642 19.000 0.007 0.000 0.810 97 A HN 0.562 nan 8.150 nan 0.000 0.446 98 R N -1.003 119.487 120.500 -0.017 0.000 2.246 98 R HA 0.203 4.542 4.340 -0.001 0.000 0.199 98 R C 2.176 178.460 176.300 -0.027 0.000 0.984 98 R CA 0.677 56.761 56.100 -0.027 0.000 1.015 98 R CB -0.174 30.115 30.300 -0.018 0.000 0.930 98 R HN 0.464 nan 8.270 nan 0.000 0.475 99 A N 0.837 123.651 122.820 -0.010 0.000 2.066 99 A HA 0.029 4.348 4.320 -0.001 0.000 0.218 99 A C 0.851 178.425 177.584 -0.016 0.000 1.157 99 A CA 0.709 52.752 52.037 0.010 0.000 0.670 99 A CB 0.385 19.408 19.000 0.039 0.000 0.804 99 A HN 0.114 nan 8.150 nan 0.000 0.453 100 V N -1.541 118.337 119.914 -0.060 0.000 2.969 100 V HA 0.620 4.739 4.120 -0.001 0.000 0.304 100 V C -0.564 175.444 176.094 -0.144 0.000 1.192 100 V CA -0.547 61.666 62.300 -0.145 0.000 0.962 100 V CB 1.648 33.386 31.823 -0.142 0.000 1.045 100 V HN 0.653 nan 8.190 nan 0.000 0.428 101 A N 4.337 127.038 122.820 -0.199 0.000 2.388 101 A HA 0.747 5.066 4.320 -0.001 0.000 0.257 101 A C 0.344 177.800 177.584 -0.214 0.000 1.095 101 A CA 1.095 52.950 52.037 -0.304 0.000 0.791 101 A CB -0.325 18.439 19.000 -0.393 0.000 1.029 101 A HN 1.679 nan 8.150 nan 0.000 0.489 102 H N -0.305 118.749 119.070 -0.027 0.000 1.452 102 H HA -0.245 4.311 4.556 -0.001 0.000 0.090 102 H C 0.799 176.146 175.328 0.033 0.000 2.395 102 H CA 0.668 56.719 56.048 0.005 0.000 1.901 102 H CB -1.431 28.331 29.762 0.001 0.000 2.257 102 H HN 1.475 nan 8.280 nan 0.000 0.961 103 C N 0.372 119.805 119.300 0.222 0.000 4.167 103 C HA -0.198 4.261 4.460 -0.001 0.000 0.302 103 C C 2.148 177.219 174.990 0.136 0.000 1.384 103 C CA 1.227 60.332 59.018 0.144 0.000 2.041 103 C CB -2.949 24.846 27.740 0.092 0.000 1.303 103 C HN 0.957 nan 8.230 nan 0.000 0.718 104 T N -2.414 112.250 114.554 0.183 0.000 2.962 104 T HA -0.120 4.229 4.350 -0.001 0.000 0.270 104 T C 1.191 175.971 174.700 0.134 0.000 1.088 104 T CA 1.735 63.937 62.100 0.169 0.000 1.127 104 T CB 0.026 69.047 68.868 0.255 0.000 0.883 104 T HN 0.730 nan 8.240 nan 0.000 0.493 105 E N 2.321 122.604 120.200 0.138 0.000 2.072 105 E HA 0.159 4.508 4.350 -0.001 0.000 0.191 105 E C 2.561 179.213 176.600 0.087 0.000 0.985 105 E CA 1.167 57.633 56.400 0.110 0.000 0.801 105 E CB -0.745 29.029 29.700 0.123 0.000 0.750 105 E HN 0.643 nan 8.360 nan 0.000 0.452 106 A N 1.324 124.195 122.820 0.085 0.000 1.902 106 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 106 A C 1.921 179.538 177.584 0.054 0.000 1.181 106 A CA 1.647 53.722 52.037 0.063 0.000 0.623 106 A CB -0.347 18.689 19.000 0.059 0.000 0.818 106 A HN 0.085 nan 8.150 nan 0.000 0.443 107 K N -0.279 120.158 120.400 0.062 0.000 2.097 107 K HA 0.002 4.321 4.320 -0.001 0.000 0.205 107 K C 2.221 178.851 176.600 0.050 0.000 1.050 107 K CA 1.020 57.339 56.287 0.052 0.000 0.938 107 K CB -0.274 32.261 32.500 0.058 0.000 0.718 107 K HN 0.439 nan 8.250 nan 0.000 0.442 108 A N 1.409 124.264 122.820 0.058 0.000 1.930 108 A HA -0.049 4.270 4.320 -0.001 0.000 0.217 108 A C 2.343 179.953 177.584 0.043 0.000 1.175 108 A CA 1.619 53.687 52.037 0.051 0.000 0.627 108 A CB -0.560 18.473 19.000 0.054 0.000 0.815 108 A HN 0.308 nan 8.150 nan 0.000 0.443 109 A N -0.391 122.458 122.820 0.048 0.000 1.898 109 A HA -0.002 4.317 4.320 -0.001 0.000 0.216 109 A C 2.101 179.708 177.584 0.039 0.000 1.181 109 A CA 1.681 53.747 52.037 0.049 0.000 0.620 109 A CB -0.591 18.445 19.000 0.060 0.000 0.819 109 A HN 0.641 nan 8.150 nan 0.000 0.442 110 L N 0.363 121.604 121.223 0.029 0.000 2.017 110 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 110 L C 1.898 178.775 176.870 0.013 0.000 1.073 110 L CA 2.793 57.642 54.840 0.015 0.000 0.745 110 L CB -0.869 41.197 42.059 0.013 0.000 0.894 110 L HN 0.442 nan 8.230 nan 0.000 0.432 111 D N -1.260 119.151 120.400 0.019 0.000 2.117 111 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 111 D C 2.131 178.437 176.300 0.011 0.000 0.987 111 D CA 1.446 55.456 54.000 0.016 0.000 0.829 111 D CB 0.087 40.902 40.800 0.025 0.000 0.961 111 D HN 0.405 nan 8.370 nan 0.000 0.460 112 S N -0.340 115.371 115.700 0.018 0.000 2.356 112 S HA -0.138 4.331 4.470 -0.001 0.000 0.223 112 S C 2.093 176.700 174.600 0.011 0.000 1.032 112 S CA 1.171 59.379 58.200 0.015 0.000 1.005 112 S CB -0.464 62.752 63.200 0.027 0.000 0.867 112 S HN 0.453 nan 8.310 nan 0.000 0.449 113 A N 1.380 124.210 122.820 0.016 0.000 1.902 113 A HA 0.020 4.339 4.320 -0.001 0.000 0.217 113 A C 2.133 179.702 177.584 -0.025 0.000 1.181 113 A CA 1.069 53.105 52.037 -0.001 0.000 0.623 113 A CB -0.729 18.263 19.000 -0.013 0.000 0.818 113 A HN 0.437 nan 8.150 nan 0.000 0.443 114 L N -0.784 120.427 121.223 -0.020 0.000 2.046 114 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 114 L C 2.593 179.444 176.870 -0.032 0.000 1.077 114 L CA 1.220 56.045 54.840 -0.026 0.000 0.747 114 L CB -0.501 41.548 42.059 -0.016 0.000 0.896 114 L HN 0.384 nan 8.230 nan 0.000 0.432 115 L N -0.664 120.540 121.223 -0.032 0.000 2.072 115 L HA -0.212 4.127 4.340 -0.001 0.000 0.205 115 L C 2.292 179.118 176.870 -0.073 0.000 1.079 115 L CA 1.127 55.937 54.840 -0.050 0.000 0.752 115 L CB -0.521 41.510 42.059 -0.048 0.000 0.906 115 L HN 0.264 nan 8.230 nan 0.000 0.436 116 D N 0.222 120.587 120.400 -0.059 0.000 2.123 116 D HA -0.215 4.424 4.640 -0.001 0.000 0.196 116 D C 2.061 178.334 176.300 -0.046 0.000 0.992 116 D CA 1.094 55.062 54.000 -0.054 0.000 0.833 116 D CB 0.070 40.875 40.800 0.007 0.000 0.954 116 D HN 0.080 nan 8.370 nan 0.000 0.455 117 L N 0.455 121.651 121.223 -0.045 0.000 2.027 117 L HA 0.052 4.392 4.340 -0.001 0.000 0.206 117 L C 2.222 179.063 176.870 -0.048 0.000 1.074 117 L CA 2.120 56.932 54.840 -0.048 0.000 0.745 117 L CB -1.093 40.934 42.059 -0.053 0.000 0.898 117 L HN 0.062 nan 8.230 nan 0.000 0.433 118 A N -0.721 122.068 122.820 -0.052 0.000 1.933 118 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 118 A C 2.319 179.863 177.584 -0.067 0.000 1.175 118 A CA 1.451 53.457 52.037 -0.052 0.000 0.628 118 A CB -1.503 17.468 19.000 -0.049 0.000 0.814 118 A HN 0.523 nan 8.150 nan 0.000 0.444 119 G N -0.604 108.144 108.800 -0.087 0.000 2.422 119 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.218 119 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.218 119 G C 1.699 176.548 174.900 -0.085 0.000 1.146 119 G CA 0.695 45.727 45.100 -0.113 0.000 0.769 119 G HN 0.409 nan 8.290 nan 0.000 0.547 120 R N 0.274 120.738 120.500 -0.060 0.000 2.066 120 R HA 0.033 4.372 4.340 -0.001 0.000 0.232 120 R C 2.529 178.808 176.300 -0.035 0.000 1.131 120 R CA 0.629 56.706 56.100 -0.037 0.000 0.955 120 R CB -0.903 29.385 30.300 -0.020 0.000 0.851 120 R HN 0.307 nan 8.270 nan 0.000 0.432 121 I N 1.415 121.963 120.570 -0.037 0.000 2.127 121 I HA -0.233 3.936 4.170 -0.001 0.000 0.241 121 I C 2.217 178.314 176.117 -0.034 0.000 1.075 121 I CA 1.990 63.271 61.300 -0.032 0.000 1.334 121 I CB -1.335 36.646 38.000 -0.032 0.000 1.040 121 I HN 0.170 nan 8.210 nan 0.000 0.405 122 S N -0.164 115.510 115.700 -0.044 0.000 2.593 122 S HA 0.011 4.480 4.470 -0.001 0.000 0.217 122 S C 0.815 175.384 174.600 -0.052 0.000 0.966 122 S CA 0.219 58.392 58.200 -0.045 0.000 0.914 122 S CB -0.509 62.660 63.200 -0.052 0.000 0.776 122 S HN 0.509 nan 8.310 nan 0.000 0.523 123 N N 0.337 119.003 118.700 -0.056 0.000 2.746 123 N HA -0.106 4.633 4.740 -0.001 0.000 0.250 123 N C -1.263 174.194 175.510 -0.089 0.000 1.055 123 N CA 0.546 53.562 53.050 -0.057 0.000 0.699 123 N CB -1.712 36.753 38.487 -0.037 0.000 0.919 123 N HN 0.655 nan 8.380 nan 0.000 0.548 124 L N -0.154 120.991 121.223 -0.129 0.000 2.409 124 L HA 0.678 5.017 4.340 -0.001 0.000 0.262 124 L C -2.106 174.590 176.870 -0.290 0.000 0.992 124 L CA -1.846 52.866 54.840 -0.215 0.000 0.817 124 L CB 2.415 44.347 42.059 -0.213 0.000 1.350 124 L HN -0.064 nan 8.230 nan 0.000 0.411 125 P HA 0.076 nan 4.420 nan 0.000 0.274 125 P C 0.765 177.720 177.300 -0.574 0.000 1.237 125 P CA -0.328 62.470 63.100 -0.504 0.000 0.793 125 P CB 1.563 32.827 31.700 -0.727 0.000 0.977 126 V N 1.884 121.453 119.914 -0.575 0.000 2.392 126 V HA -0.215 3.904 4.120 -0.001 0.000 0.249 126 V C 2.390 178.423 176.094 -0.102 0.000 1.059 126 V CA 2.144 64.202 62.300 -0.404 0.000 1.051 126 V CB -1.511 29.975 31.823 -0.561 0.000 0.658 126 V HN 0.729 nan 8.190 nan 0.000 0.455 127 W N 0.828 122.271 121.300 0.238 0.000 2.364 127 W HA -0.128 4.531 4.660 -0.001 0.000 0.281 127 W C 2.109 178.692 176.519 0.107 0.000 1.219 127 W CA 0.929 58.400 57.345 0.210 0.000 1.220 127 W CB -1.030 28.571 29.460 0.235 0.000 1.127 127 W HN 0.293 nan 8.180 nan 0.000 0.556 128 A N 1.377 124.051 122.820 -0.242 0.000 2.119 128 A HA 0.036 4.355 4.320 -0.001 0.000 0.217 128 A C 2.096 179.657 177.584 -0.038 0.000 1.153 128 A CA 0.962 52.881 52.037 -0.196 0.000 0.692 128 A CB -0.731 17.890 19.000 -0.630 0.000 0.799 128 A HN 0.397 nan 8.150 nan 0.000 0.458 129 L N -1.309 119.888 121.223 -0.044 0.000 2.607 129 L HA 0.162 4.501 4.340 -0.001 0.000 0.228 129 L C 0.862 177.758 176.870 0.043 0.000 1.123 129 L CA -0.115 54.715 54.840 -0.015 0.000 0.890 129 L CB 0.253 42.280 42.059 -0.053 0.000 1.103 129 L HN 0.195 nan 8.230 nan 0.000 0.468 130 L N -0.475 120.810 121.223 0.104 0.000 2.769 130 L HA 0.383 4.723 4.340 -0.001 0.000 0.240 130 L C 1.340 178.293 176.870 0.138 0.000 1.163 130 L CA 0.568 55.482 54.840 0.125 0.000 0.962 130 L CB 0.080 42.239 42.059 0.165 0.000 1.258 130 L HN 0.248 nan 8.230 nan 0.000 0.513 131 G N -1.970 106.916 108.800 0.144 0.000 2.231 131 G HA2 0.116 4.075 3.960 -0.001 0.000 0.206 131 G HA3 0.116 4.075 3.960 -0.001 0.000 0.206 131 G C 0.692 175.701 174.900 0.182 0.000 0.996 131 G CA -0.285 44.895 45.100 0.134 0.000 0.645 131 G HN 0.912 nan 8.290 nan 0.000 0.498 132 G N -0.517 108.469 108.800 0.309 0.000 2.362 132 G HA2 0.495 4.454 3.960 -0.001 0.000 0.517 132 G HA3 0.495 4.454 3.960 -0.001 0.000 0.517 132 G C -0.547 174.498 174.900 0.241 0.000 1.256 132 G CA 0.359 45.701 45.100 0.403 0.000 1.027 132 G HN 1.568 nan 8.290 nan 0.000 0.491 133 K N -1.926 118.397 120.400 -0.127 0.000 2.385 133 K HA 0.733 5.053 4.320 -0.001 0.000 0.248 133 K C 0.752 177.213 176.600 -0.230 0.000 0.955 133 K CA -0.383 55.678 56.287 -0.376 0.000 0.816 133 K CB 1.843 33.699 32.500 -1.073 0.000 1.250 133 K HN 1.542 nan 8.250 nan 0.000 0.434 134 C N -0.518 118.676 119.300 -0.177 0.000 3.491 134 C HA 0.391 4.850 4.460 -0.001 0.000 0.298 134 C C -0.024 174.896 174.990 -0.117 0.000 1.424 134 C CA -0.555 58.397 59.018 -0.111 0.000 1.772 134 C CB -0.756 26.951 27.740 -0.055 0.000 2.447 134 C HN 0.960 nan 8.230 nan 0.000 0.670 135 R N -0.003 120.401 120.500 -0.161 0.000 2.643 135 R HA 0.537 4.876 4.340 -0.001 0.000 0.269 135 R C -1.203 174.986 176.300 -0.185 0.000 1.037 135 R CA -0.449 55.571 56.100 -0.133 0.000 0.894 135 R CB 0.780 31.030 30.300 -0.083 0.000 1.238 135 R HN -0.124 nan 8.270 nan 0.000 0.459 136 D N 0.665 120.979 120.400 -0.143 0.000 2.366 136 D HA 0.031 4.670 4.640 -0.001 0.000 0.205 136 D C 0.179 176.419 176.300 -0.100 0.000 1.022 136 D CA 1.166 55.080 54.000 -0.143 0.000 0.868 136 D CB 0.918 41.655 40.800 -0.106 0.000 0.953 136 D HN 0.718 nan 8.370 nan 0.000 0.514 137 T N -1.906 112.603 114.554 -0.075 0.000 2.864 137 T HA 0.727 5.076 4.350 -0.001 0.000 0.299 137 T C -0.671 174.010 174.700 -0.032 0.000 1.166 137 T CA -0.842 61.227 62.100 -0.051 0.000 1.007 137 T CB 2.137 70.982 68.868 -0.039 0.000 1.219 137 T HN -0.115 nan 8.240 nan 0.000 0.506 138 I N 1.117 121.679 120.570 -0.012 0.000 2.534 138 I HA 0.399 4.568 4.170 -0.001 0.000 0.288 138 I C -2.835 173.284 176.117 0.003 0.000 1.077 138 I CA -2.764 58.536 61.300 -0.000 0.000 1.051 138 I CB 2.702 40.715 38.000 0.021 0.000 1.234 138 I HN 0.397 nan 8.210 nan 0.000 0.425 139 P HA 0.038 nan 4.420 nan 0.000 0.264 139 P C -0.812 176.493 177.300 0.009 0.000 1.193 139 P CA -0.089 63.020 63.100 0.015 0.000 0.763 139 P CB 0.474 32.188 31.700 0.024 0.000 0.810 140 L N 3.547 124.786 121.223 0.026 0.000 2.307 140 L HA 0.600 4.939 4.340 -0.001 0.000 0.282 140 L C -0.082 176.796 176.870 0.013 0.000 1.051 140 L CA -0.001 54.857 54.840 0.030 0.000 0.804 140 L CB 1.472 43.590 42.059 0.098 0.000 1.197 140 L HN 0.218 nan 8.230 nan 0.000 0.431 141 S N 4.442 120.142 115.700 -0.001 0.000 2.482 141 S HA 0.599 5.069 4.470 -0.001 0.000 0.303 141 S C -0.952 173.578 174.600 -0.116 0.000 1.091 141 S CA -0.628 57.535 58.200 -0.063 0.000 1.057 141 S CB 0.930 64.136 63.200 0.011 0.000 1.031 141 S HN 0.910 nan 8.310 nan 0.000 0.485 142 C N 4.152 123.246 119.300 -0.344 0.000 2.351 142 C HA 0.774 5.233 4.460 -0.001 0.000 0.326 142 C C 0.400 174.902 174.990 -0.813 0.000 1.272 142 C CA -0.348 58.263 59.018 -0.678 0.000 1.650 142 C CB 0.488 27.858 27.740 -0.617 0.000 2.257 142 C HN 0.941 nan 8.230 nan 0.000 0.505 143 S N 5.040 119.998 115.700 -1.236 0.000 2.584 143 S HA 0.528 4.997 4.470 -0.001 0.000 0.273 143 S C -0.255 174.056 174.600 -0.482 0.000 1.311 143 S CA -0.324 57.474 58.200 -0.671 0.000 1.034 143 S CB 0.520 63.441 63.200 -0.465 0.000 0.939 143 S HN 0.620 nan 8.310 nan 0.000 0.513 144 I N 2.693 123.091 120.570 -0.286 0.000 2.388 144 I HA 0.364 4.533 4.170 -0.001 0.000 0.281 144 I C 0.496 176.608 176.117 -0.008 0.000 1.046 144 I CA -0.288 60.920 61.300 -0.153 0.000 1.187 144 I CB 0.278 38.187 38.000 -0.153 0.000 1.351 144 I HN 0.777 nan 8.210 nan 0.000 0.472 145 A N 4.877 127.728 122.820 0.051 0.000 2.624 145 A HA 0.195 4.514 4.320 -0.001 0.000 0.287 145 A C 0.481 178.145 177.584 0.133 0.000 1.087 145 A CA -0.332 51.790 52.037 0.142 0.000 0.964 145 A CB 0.046 19.071 19.000 0.042 0.000 1.231 145 A HN 0.566 nan 8.150 nan 0.000 0.551 146 N N 1.787 120.614 118.700 0.211 0.000 2.470 146 N HA 0.163 4.902 4.740 -0.001 0.000 0.268 146 N C -1.604 174.139 175.510 0.388 0.000 1.136 146 N CA -1.412 51.767 53.050 0.216 0.000 0.961 146 N CB 1.581 40.184 38.487 0.194 0.000 1.067 146 N HN 0.090 nan 8.380 nan 0.000 0.468 147 P HA -0.093 nan 4.420 nan 0.000 0.222 147 P C -0.163 177.318 177.300 0.302 0.000 1.147 147 P CA 0.917 64.207 63.100 0.316 0.000 0.790 147 P CB 0.297 32.066 31.700 0.114 0.000 0.780 148 D N -0.627 119.936 120.400 0.272 0.000 2.479 148 D HA 0.049 4.688 4.640 -0.001 0.000 0.218 148 D C 0.662 177.159 176.300 0.328 0.000 1.131 148 D CA -0.881 53.269 54.000 0.250 0.000 0.916 148 D CB -0.396 40.492 40.800 0.147 0.000 1.022 148 D HN -0.222 nan 8.370 nan 0.000 0.515 149 F N 2.841 122.940 119.950 0.248 0.000 2.202 149 F HA -0.153 4.373 4.527 -0.002 0.000 0.301 149 F C 1.553 177.404 175.800 0.085 0.000 1.082 149 F CA 1.287 59.380 58.000 0.155 0.000 1.313 149 F CB 0.103 39.172 39.000 0.115 0.000 1.024 149 F HN 0.369 nan 8.300 nan 0.000 0.495 150 D N 0.224 120.656 120.400 0.052 0.000 2.149 150 D HA -0.195 4.444 4.640 -0.001 0.000 0.198 150 D C 2.366 178.610 176.300 -0.093 0.000 0.990 150 D CA 1.472 55.431 54.000 -0.068 0.000 0.839 150 D CB -0.463 40.352 40.800 0.026 0.000 0.948 150 D HN 0.388 nan 8.370 nan 0.000 0.460 151 A N 1.038 123.848 122.820 -0.017 0.000 1.969 151 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 151 A C 1.855 179.402 177.584 -0.061 0.000 1.169 151 A CA 1.443 53.476 52.037 -0.008 0.000 0.635 151 A CB -0.179 18.851 19.000 0.049 0.000 0.810 151 A HN 0.003 nan 8.150 nan 0.000 0.445 152 D N -0.205 120.127 120.400 -0.112 0.000 2.183 152 D HA -0.024 4.616 4.640 -0.001 0.000 0.203 152 D C 1.816 177.899 176.300 -0.362 0.000 0.969 152 D CA 0.662 54.552 54.000 -0.184 0.000 0.842 152 D CB -0.208 40.547 40.800 -0.075 0.000 0.957 152 D HN 0.508 nan 8.370 nan 0.000 0.484 153 I N 0.942 121.215 120.570 -0.495 0.000 2.226 153 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 153 I C 2.375 178.393 176.117 -0.165 0.000 1.100 153 I CA 0.973 62.028 61.300 -0.408 0.000 1.374 153 I CB -0.138 37.670 38.000 -0.319 0.000 1.057 153 I HN -0.069 nan 8.210 nan 0.000 0.413 154 A N 0.586 123.340 122.820 -0.110 0.000 1.930 154 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 154 A C 2.223 179.781 177.584 -0.043 0.000 1.175 154 A CA 1.336 53.355 52.037 -0.030 0.000 0.627 154 A CB -0.657 18.336 19.000 -0.012 0.000 0.815 154 A HN 0.393 nan 8.150 nan 0.000 0.443 155 L N -0.617 120.547 121.223 -0.099 0.000 2.027 155 L HA -0.077 4.263 4.340 -0.001 0.000 0.206 155 L C 2.385 179.144 176.870 -0.186 0.000 1.074 155 L CA 2.109 56.880 54.840 -0.115 0.000 0.745 155 L CB -0.557 41.423 42.059 -0.132 0.000 0.898 155 L HN 0.420 nan 8.230 nan 0.000 0.433 156 M N -0.910 118.511 119.600 -0.298 0.000 2.213 156 M HA -0.161 4.318 4.480 -0.001 0.000 0.263 156 M C 2.072 178.347 176.300 -0.042 0.000 1.062 156 M CA 1.353 56.434 55.300 -0.365 0.000 1.105 156 M CB -0.373 31.637 32.600 -0.983 0.000 1.385 156 M HN 0.292 nan 8.290 nan 0.000 0.417 157 E N 0.047 120.286 120.200 0.064 0.000 2.077 157 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 157 E C 1.973 178.654 176.600 0.134 0.000 0.989 157 E CA 1.148 57.685 56.400 0.228 0.000 0.800 157 E CB -0.398 29.407 29.700 0.175 0.000 0.746 157 E HN 0.516 nan 8.360 nan 0.000 0.452 158 R N 0.844 121.388 120.500 0.074 0.000 2.075 158 R HA -0.079 4.260 4.340 -0.001 0.000 0.232 158 R C 2.605 178.955 176.300 0.083 0.000 1.126 158 R CA 0.782 56.933 56.100 0.085 0.000 0.963 158 R CB -0.221 30.135 30.300 0.094 0.000 0.858 158 R HN 0.111 nan 8.270 nan 0.000 0.435 159 L N 0.277 121.497 121.223 -0.005 0.000 2.012 159 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 159 L C 2.912 179.901 176.870 0.198 0.000 1.073 159 L CA 1.715 56.540 54.840 -0.025 0.000 0.748 159 L CB -0.508 41.423 42.059 -0.212 0.000 0.891 159 L HN 0.269 nan 8.230 nan 0.000 0.431 160 R N 0.238 120.911 120.500 0.288 0.000 2.096 160 R HA -0.175 4.164 4.340 -0.001 0.000 0.235 160 R C 2.295 178.649 176.300 0.089 0.000 1.127 160 R CA 1.412 57.597 56.100 0.141 0.000 0.968 160 R CB -0.209 30.103 30.300 0.021 0.000 0.861 160 R HN 0.353 nan 8.270 nan 0.000 0.440 161 A N 0.783 123.662 122.820 0.100 0.000 1.930 161 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 161 A C 1.395 179.033 177.584 0.090 0.000 1.175 161 A CA 1.649 53.733 52.037 0.078 0.000 0.627 161 A CB -0.245 18.803 19.000 0.080 0.000 0.815 161 A HN 0.369 nan 8.150 nan 0.000 0.443 162 D N -1.218 119.257 120.400 0.126 0.000 2.363 162 D HA 0.205 4.844 4.640 -0.001 0.000 0.220 162 D C 1.367 177.741 176.300 0.123 0.000 0.994 162 D CA 1.153 55.239 54.000 0.143 0.000 0.890 162 D CB 0.043 40.986 40.800 0.238 0.000 0.906 162 D HN 0.630 nan 8.370 nan 0.000 0.530 163 G N 0.267 109.133 108.800 0.111 0.000 2.157 163 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.239 163 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.239 163 G C 0.381 175.354 174.900 0.121 0.000 0.982 163 G CA 0.081 45.237 45.100 0.094 0.000 0.650 163 G HN 0.275 nan 8.290 nan 0.000 0.527 164 V N 0.808 120.819 119.914 0.162 0.000 2.521 164 V HA 0.494 4.613 4.120 -0.001 0.000 0.286 164 V C 1.615 177.869 176.094 0.267 0.000 1.034 164 V CA 1.300 63.692 62.300 0.153 0.000 1.045 164 V CB 1.377 33.233 31.823 0.055 0.000 0.974 164 V HN 0.667 nan 8.190 nan 0.000 0.480 165 G N 5.076 113.987 108.800 0.185 0.000 3.192 165 G HA2 0.375 4.334 3.960 -0.001 0.000 0.239 165 G HA3 0.375 4.334 3.960 -0.001 0.000 0.239 165 G C 0.037 175.061 174.900 0.207 0.000 1.084 165 G CA -0.112 45.140 45.100 0.253 0.000 0.784 165 G HN 0.497 nan 8.290 nan 0.000 0.540 166 L N 1.206 122.443 121.223 0.024 0.000 2.401 166 L HA 0.711 5.050 4.340 -0.001 0.000 0.266 166 L C -0.632 176.042 176.870 -0.328 0.000 0.991 166 L CA -1.259 53.517 54.840 -0.107 0.000 0.818 166 L CB 2.342 44.358 42.059 -0.071 0.000 1.321 166 L HN 0.130 nan 8.230 nan 0.000 0.413 167 I N -0.611 119.724 120.570 -0.393 0.000 2.894 167 I HA 0.618 4.787 4.170 -0.001 0.000 0.302 167 I C -1.285 174.607 176.117 -0.375 0.000 1.188 167 I CA -0.828 60.173 61.300 -0.498 0.000 1.014 167 I CB 2.493 40.056 38.000 -0.729 0.000 1.242 167 I HN 0.535 nan 8.210 nan 0.000 0.430 168 K N 4.239 124.428 120.400 -0.351 0.000 2.502 168 K HA 0.498 4.817 4.320 -0.001 0.000 0.254 168 K C -1.705 174.741 176.600 -0.256 0.000 0.947 168 K CA -0.766 55.346 56.287 -0.291 0.000 0.834 168 K CB 2.007 34.384 32.500 -0.204 0.000 1.112 168 K HN 0.728 nan 8.250 nan 0.000 0.427 169 L N 4.682 125.755 121.223 -0.249 0.000 2.315 169 L HA 0.221 4.560 4.340 -0.001 0.000 0.283 169 L C -0.210 176.554 176.870 -0.176 0.000 1.089 169 L CA 0.316 55.024 54.840 -0.220 0.000 0.833 169 L CB 0.498 42.391 42.059 -0.277 0.000 1.170 169 L HN 0.520 nan 8.230 nan 0.000 0.442 170 K N 4.094 124.456 120.400 -0.062 0.000 2.349 170 K HA 0.286 4.605 4.320 -0.001 0.000 0.289 170 K C -0.443 176.178 176.600 0.035 0.000 1.064 170 K CA -0.082 56.234 56.287 0.048 0.000 0.947 170 K CB 0.253 32.870 32.500 0.196 0.000 1.007 170 K HN 0.827 nan 8.250 nan 0.000 0.478 171 T N 0.217 114.668 114.554 -0.172 0.000 2.927 171 T HA 0.597 4.946 4.350 -0.001 0.000 0.286 171 T C 0.942 175.555 174.700 -0.145 0.000 1.040 171 T CA -0.099 61.782 62.100 -0.365 0.000 1.010 171 T CB 1.718 70.095 68.868 -0.819 0.000 1.177 171 T HN 0.706 nan 8.240 nan 0.000 0.546 172 G N 0.505 109.281 108.800 -0.040 0.000 2.253 172 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.251 172 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.251 172 G C 0.551 175.564 174.900 0.188 0.000 0.998 172 G CA 0.634 45.887 45.100 0.256 0.000 0.621 172 G HN 1.294 nan 8.290 nan 0.000 0.524 173 F N 0.924 120.976 119.950 0.170 0.000 2.661 173 F HA 0.559 5.086 4.527 -0.001 0.000 0.298 173 F C 1.329 177.183 175.800 0.091 0.000 1.137 173 F CA 0.435 58.518 58.000 0.139 0.000 1.454 173 F CB -0.178 38.900 39.000 0.130 0.000 1.103 173 F HN 0.294 nan 8.300 nan 0.000 0.577 174 R N 0.359 120.724 120.500 -0.225 0.000 3.212 174 R HA 0.255 4.594 4.340 -0.001 0.000 0.240 174 R C -0.752 175.515 176.300 -0.055 0.000 1.470 174 R CA -0.591 55.418 56.100 -0.152 0.000 1.041 174 R CB 0.271 30.320 30.300 -0.419 0.000 1.494 174 R HN 0.166 nan 8.270 nan 0.000 0.502 175 D N -0.678 119.707 120.400 -0.025 0.000 2.360 175 D HA -0.043 4.596 4.640 -0.001 0.000 0.242 175 D C 0.853 177.206 176.300 0.088 0.000 1.184 175 D CA -0.101 53.929 54.000 0.050 0.000 0.930 175 D CB 0.435 41.263 40.800 0.047 0.000 1.161 175 D HN 0.506 nan 8.370 nan 0.000 0.447 176 H N 0.630 119.715 119.070 0.026 0.000 2.352 176 H HA -0.103 4.452 4.556 -0.001 0.000 0.299 176 H C 2.064 177.394 175.328 0.002 0.000 1.097 176 H CA 2.515 58.578 56.048 0.024 0.000 1.311 176 H CB -0.466 29.316 29.762 0.035 0.000 1.377 176 H HN 0.509 nan 8.280 nan 0.000 0.504 177 A N -0.022 122.778 122.820 -0.034 0.000 1.948 177 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 177 A C 2.317 179.827 177.584 -0.122 0.000 1.177 177 A CA 1.627 53.610 52.037 -0.090 0.000 0.636 177 A CB -1.283 17.723 19.000 0.011 0.000 0.815 177 A HN 0.566 nan 8.150 nan 0.000 0.449 178 F N 1.100 120.911 119.950 -0.232 0.000 2.216 178 F HA -0.133 4.393 4.527 -0.002 0.000 0.300 178 F C 1.693 177.251 175.800 -0.403 0.000 1.085 178 F CA 1.760 59.587 58.000 -0.288 0.000 1.326 178 F CB -0.115 38.718 39.000 -0.279 0.000 1.027 178 F HN 0.249 nan 8.300 nan 0.000 0.497 179 D N 0.251 120.389 120.400 -0.436 0.000 2.103 179 D HA -0.128 4.511 4.640 -0.001 0.000 0.199 179 D C 2.503 178.428 176.300 -0.625 0.000 0.978 179 D CA 1.140 54.802 54.000 -0.563 0.000 0.829 179 D CB -0.190 40.376 40.800 -0.390 0.000 0.981 179 D HN 0.204 nan 8.370 nan 0.000 0.464 180 I N 1.419 121.645 120.570 -0.573 0.000 2.226 180 I HA -0.204 3.966 4.170 -0.001 0.000 0.245 180 I C 2.399 178.238 176.117 -0.464 0.000 1.100 180 I CA 0.760 61.754 61.300 -0.511 0.000 1.374 180 I CB -0.941 36.872 38.000 -0.313 0.000 1.057 180 I HN 0.100 nan 8.210 nan 0.000 0.413 181 M N 1.139 120.495 119.600 -0.406 0.000 2.082 181 M HA -0.257 4.222 4.480 -0.001 0.000 0.258 181 M C 2.424 178.437 176.300 -0.478 0.000 1.069 181 M CA 1.947 57.038 55.300 -0.348 0.000 1.102 181 M CB -0.598 31.816 32.600 -0.309 0.000 1.336 181 M HN 0.195 nan 8.290 nan 0.000 0.404 182 R N -0.209 119.809 120.500 -0.803 0.000 2.075 182 R HA -0.072 4.267 4.340 -0.001 0.000 0.232 182 R C 2.341 178.333 176.300 -0.515 0.000 1.126 182 R CA 1.341 56.868 56.100 -0.956 0.000 0.963 182 R CB -0.455 29.027 30.300 -1.363 0.000 0.858 182 R HN 0.420 nan 8.270 nan 0.000 0.435 183 L N 0.772 121.628 121.223 -0.611 0.000 2.046 183 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 183 L C 2.241 178.873 176.870 -0.396 0.000 1.077 183 L CA 1.500 55.956 54.840 -0.639 0.000 0.747 183 L CB -0.391 40.886 42.059 -1.303 0.000 0.896 183 L HN 0.248 nan 8.230 nan 0.000 0.432 184 E N 0.107 120.116 120.200 -0.320 0.000 2.051 184 E HA -0.267 4.082 4.350 -0.001 0.000 0.192 184 E C 2.237 178.860 176.600 0.038 0.000 0.991 184 E CA 1.246 57.648 56.400 0.003 0.000 0.799 184 E CB -0.208 29.517 29.700 0.042 0.000 0.748 184 E HN 0.402 nan 8.360 nan 0.000 0.449 185 L N 1.023 122.265 121.223 0.032 0.000 2.046 185 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 185 L C 2.277 179.275 176.870 0.213 0.000 1.077 185 L CA 1.102 56.029 54.840 0.145 0.000 0.747 185 L CB -0.080 42.146 42.059 0.277 0.000 0.896 185 L HN 0.128 nan 8.230 nan 0.000 0.432 186 I N -0.051 120.648 120.570 0.215 0.000 2.208 186 I HA -0.316 3.853 4.170 -0.001 0.000 0.245 186 I C 2.703 178.949 176.117 0.215 0.000 1.097 186 I CA 1.241 62.714 61.300 0.289 0.000 1.363 186 I CB -0.536 37.555 38.000 0.151 0.000 1.051 186 I HN 0.357 nan 8.210 nan 0.000 0.413 187 A N 0.428 123.322 122.820 0.124 0.000 1.972 187 A HA -0.229 4.091 4.320 -0.001 0.000 0.219 187 A C 2.443 180.068 177.584 0.068 0.000 1.169 187 A CA 1.669 53.770 52.037 0.105 0.000 0.635 187 A CB -0.548 18.535 19.000 0.138 0.000 0.810 187 A HN 0.386 nan 8.150 nan 0.000 0.446 188 R N -0.830 119.707 120.500 0.062 0.000 2.066 188 R HA -0.064 4.275 4.340 -0.001 0.000 0.224 188 R C 0.523 176.789 176.300 -0.057 0.000 1.122 188 R CA 1.534 57.641 56.100 0.011 0.000 0.974 188 R CB -0.012 30.299 30.300 0.020 0.000 0.871 188 R HN 0.372 nan 8.270 nan 0.000 0.435 189 D N -1.156 119.196 120.400 -0.080 0.000 2.379 189 D HA 0.059 4.698 4.640 -0.001 0.000 0.208 189 D C -0.422 175.457 176.300 -0.701 0.000 1.065 189 D CA 0.431 54.216 54.000 -0.359 0.000 0.848 189 D CB 0.612 41.162 40.800 -0.417 0.000 0.949 189 D HN 0.144 nan 8.370 nan 0.000 0.509 190 F N 0.643 120.569 119.950 -0.039 0.000 2.576 190 F HA 0.236 4.762 4.527 -0.001 0.000 0.365 190 F C -1.763 173.964 175.800 -0.121 0.000 1.506 190 F CA -1.460 56.472 58.000 -0.113 0.000 1.113 190 F CB 1.508 40.531 39.000 0.037 0.000 1.293 190 F HN -0.192 nan 8.300 nan 0.000 0.540 191 P HA -0.101 nan 4.420 nan 0.000 0.234 191 P C 0.715 177.981 177.300 -0.057 0.000 1.167 191 P CA 1.113 64.204 63.100 -0.015 0.000 0.763 191 P CB 0.423 32.101 31.700 -0.038 0.000 0.835 192 E N -0.504 119.593 120.200 -0.173 0.000 2.208 192 E HA -0.019 4.330 4.350 -0.001 0.000 0.193 192 E C 0.436 176.956 176.600 -0.133 0.000 0.988 192 E CA 0.653 56.925 56.400 -0.213 0.000 0.828 192 E CB -0.589 28.901 29.700 -0.349 0.000 0.763 192 E HN 0.273 nan 8.360 nan 0.000 0.478 193 F N 1.078 121.040 119.950 0.020 0.000 2.389 193 F HA 0.275 4.801 4.527 -0.001 0.000 0.337 193 F C 1.027 176.799 175.800 -0.046 0.000 1.112 193 F CA -0.579 57.406 58.000 -0.026 0.000 1.192 193 F CB 0.541 39.510 39.000 -0.052 0.000 1.185 193 F HN -0.311 nan 8.300 nan 0.000 0.552 194 R N 1.096 121.681 120.500 0.143 0.000 2.410 194 R HA 0.617 4.956 4.340 -0.001 0.000 0.288 194 R C -1.220 175.049 176.300 -0.052 0.000 1.051 194 R CA -0.749 55.360 56.100 0.014 0.000 1.021 194 R CB 1.492 31.774 30.300 -0.029 0.000 1.032 194 R HN 0.374 nan 8.270 nan 0.000 0.481 195 V N 3.760 123.611 119.914 -0.105 0.000 2.495 195 V HA 0.431 4.550 4.120 -0.001 0.000 0.298 195 V C -0.198 175.705 176.094 -0.317 0.000 1.031 195 V CA -0.872 61.317 62.300 -0.185 0.000 0.871 195 V CB 1.735 33.485 31.823 -0.123 0.000 0.988 195 V HN 0.658 nan 8.190 nan 0.000 0.432 196 R N 2.392 122.630 120.500 -0.437 0.000 2.787 196 R HA 0.861 5.200 4.340 -0.001 0.000 0.271 196 R C -1.140 174.909 176.300 -0.418 0.000 0.993 196 R CA -0.623 55.072 56.100 -0.676 0.000 0.993 196 R CB 2.108 31.764 30.300 -1.075 0.000 1.155 196 R HN 0.503 nan 8.270 nan 0.000 0.486 197 V N 0.912 120.633 119.914 -0.323 0.000 2.735 197 V HA 0.434 4.553 4.120 -0.001 0.000 0.310 197 V C -1.244 174.805 176.094 -0.076 0.000 1.061 197 V CA -0.660 61.517 62.300 -0.205 0.000 0.913 197 V CB 2.183 33.899 31.823 -0.179 0.000 1.005 197 V HN 0.656 nan 8.190 nan 0.000 0.428 198 D N 1.683 122.011 120.400 -0.119 0.000 2.736 198 D HA 0.340 4.980 4.640 -0.001 0.000 0.243 198 D C -0.423 175.855 176.300 -0.036 0.000 1.304 198 D CA -0.320 53.681 54.000 0.001 0.000 0.934 198 D CB 1.622 42.450 40.800 0.046 0.000 1.382 198 D HN 0.465 nan 8.370 nan 0.000 0.571 199 Y N 2.322 122.666 120.300 0.073 0.000 2.523 199 Y HA 0.083 4.632 4.550 -0.002 0.000 0.279 199 Y C 0.732 176.713 175.900 0.135 0.000 1.139 199 Y CA 0.053 58.210 58.100 0.095 0.000 1.296 199 Y CB -0.092 38.407 38.460 0.065 0.000 1.045 199 Y HN 0.438 nan 8.280 nan 0.000 0.538 200 N N 1.420 120.267 118.700 0.245 0.000 2.705 200 N HA -0.323 4.416 4.740 -0.001 0.000 0.255 200 N C -0.164 175.472 175.510 0.210 0.000 1.008 200 N CA 0.974 54.160 53.050 0.226 0.000 0.742 200 N CB -1.353 37.344 38.487 0.348 0.000 0.906 200 N HN 0.445 nan 8.380 nan 0.000 0.541 201 Q N -4.106 115.765 119.800 0.117 0.000 2.332 201 Q HA -0.295 4.044 4.340 -0.001 0.000 0.222 201 Q C 1.566 177.665 176.000 0.166 0.000 0.758 201 Q CA 1.100 56.951 55.803 0.080 0.000 1.355 201 Q CB -1.758 26.968 28.738 -0.021 0.000 1.705 201 Q HN 0.763 nan 8.270 nan 0.000 0.638 202 G N 0.359 109.307 108.800 0.247 0.000 2.479 202 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.220 202 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.220 202 G C 0.673 175.679 174.900 0.176 0.000 1.115 202 G CA 0.446 45.703 45.100 0.262 0.000 0.757 202 G HN 0.230 nan 8.290 nan 0.000 0.560 203 L N 0.826 122.097 121.223 0.079 0.000 2.375 203 L HA 0.358 4.697 4.340 -0.001 0.000 0.271 203 L C 0.083 176.951 176.870 -0.003 0.000 1.107 203 L CA -0.910 53.926 54.840 -0.006 0.000 0.806 203 L CB 1.061 43.011 42.059 -0.182 0.000 1.146 203 L HN 0.025 nan 8.230 nan 0.000 0.447 204 E N 1.591 121.791 120.200 -0.001 0.000 2.318 204 E HA 0.193 4.542 4.350 -0.001 0.000 0.265 204 E C 1.160 177.725 176.600 -0.059 0.000 1.069 204 E CA -0.345 56.057 56.400 0.004 0.000 0.893 204 E CB 1.518 31.232 29.700 0.024 0.000 1.076 204 E HN 0.460 nan 8.360 nan 0.000 0.414 205 I N 0.938 121.464 120.570 -0.073 0.000 2.145 205 I HA -0.352 3.817 4.170 -0.001 0.000 0.244 205 I C 1.566 177.623 176.117 -0.100 0.000 1.075 205 I CA 1.897 63.114 61.300 -0.138 0.000 1.332 205 I CB -0.367 37.560 38.000 -0.122 0.000 1.033 205 I HN 0.478 nan 8.210 nan 0.000 0.410 206 D N 0.442 120.807 120.400 -0.059 0.000 2.378 206 D HA -0.196 4.443 4.640 -0.001 0.000 0.227 206 D C 1.290 177.553 176.300 -0.061 0.000 1.012 206 D CA 0.842 54.811 54.000 -0.052 0.000 0.905 206 D CB -0.412 40.371 40.800 -0.028 0.000 0.895 206 D HN 0.720 nan 8.370 nan 0.000 0.532 207 E N -1.099 119.055 120.200 -0.076 0.000 2.606 207 E HA 0.334 4.683 4.350 -0.001 0.000 0.224 207 E C 1.607 178.126 176.600 -0.135 0.000 0.930 207 E CA 0.016 56.361 56.400 -0.091 0.000 1.125 207 E CB 0.023 29.685 29.700 -0.063 0.000 1.123 207 E HN 0.103 nan 8.360 nan 0.000 0.522 208 A N 1.816 124.545 122.820 -0.150 0.000 1.851 208 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 208 A C 2.377 179.852 177.584 -0.182 0.000 1.195 208 A CA 1.887 53.803 52.037 -0.201 0.000 0.622 208 A CB -0.979 17.902 19.000 -0.198 0.000 0.831 208 A HN 0.134 nan 8.150 nan 0.000 0.444 209 V N 1.341 121.173 119.914 -0.137 0.000 2.233 209 V HA -0.181 3.938 4.120 -0.001 0.000 0.247 209 V C 0.081 176.113 176.094 -0.104 0.000 1.050 209 V CA 2.586 64.821 62.300 -0.108 0.000 1.010 209 V CB -1.594 30.177 31.823 -0.085 0.000 0.637 209 V HN 0.519 nan 8.190 nan 0.000 0.444 210 P HA -0.169 nan 4.420 nan 0.000 0.217 210 P C 1.541 178.729 177.300 -0.187 0.000 1.150 210 P CA 1.500 64.522 63.100 -0.129 0.000 0.832 210 P CB -0.122 31.498 31.700 -0.132 0.000 0.787 211 R N -0.333 120.029 120.500 -0.229 0.000 2.073 211 R HA -0.014 4.325 4.340 -0.001 0.000 0.229 211 R C 2.456 178.767 176.300 0.019 0.000 1.120 211 R CA 0.963 56.919 56.100 -0.240 0.000 0.967 211 R CB -1.041 29.169 30.300 -0.149 0.000 0.862 211 R HN 0.063 nan 8.270 nan 0.000 0.436 212 V N 1.666 121.547 119.914 -0.055 0.000 2.343 212 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 212 V C 2.318 178.453 176.094 0.068 0.000 1.051 212 V CA 1.600 63.913 62.300 0.021 0.000 1.036 212 V CB -0.388 31.390 31.823 -0.075 0.000 0.654 212 V HN 0.288 nan 8.190 nan 0.000 0.451 213 L N -0.448 120.785 121.223 0.017 0.000 2.083 213 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 213 L C 2.408 179.319 176.870 0.069 0.000 1.083 213 L CA 1.603 56.459 54.840 0.026 0.000 0.752 213 L CB -0.568 41.486 42.059 -0.008 0.000 0.899 213 L HN 0.394 nan 8.230 nan 0.000 0.433 214 D N -0.461 120.005 120.400 0.109 0.000 2.097 214 D HA -0.133 4.506 4.640 -0.001 0.000 0.197 214 D C 2.239 178.721 176.300 0.303 0.000 0.984 214 D CA 1.203 55.326 54.000 0.205 0.000 0.826 214 D CB 0.226 41.229 40.800 0.337 0.000 0.973 214 D HN 0.081 nan 8.370 nan 0.000 0.460 215 V N 1.524 121.639 119.914 0.335 0.000 2.490 215 V HA -0.205 3.914 4.120 -0.001 0.000 0.250 215 V C 2.519 178.786 176.094 0.287 0.000 1.061 215 V CA 1.579 64.078 62.300 0.332 0.000 1.064 215 V CB -0.608 31.370 31.823 0.258 0.000 0.670 215 V HN 0.174 nan 8.190 nan 0.000 0.461 216 A N -1.001 121.930 122.820 0.185 0.000 2.019 216 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 216 A C 2.139 179.770 177.584 0.078 0.000 1.164 216 A CA 1.250 53.357 52.037 0.115 0.000 0.644 216 A CB -0.368 18.675 19.000 0.072 0.000 0.805 216 A HN 0.510 nan 8.150 nan 0.000 0.449 217 Q N -1.069 118.762 119.800 0.050 0.000 2.226 217 Q HA -0.120 4.219 4.340 -0.001 0.000 0.204 217 Q C 1.192 177.075 176.000 -0.195 0.000 0.975 217 Q CA 1.148 56.888 55.803 -0.104 0.000 0.866 217 Q CB -0.407 28.206 28.738 -0.207 0.000 0.915 217 Q HN 0.795 nan 8.270 nan 0.000 0.440 218 F N 0.966 120.907 119.950 -0.015 0.000 2.802 218 F HA 0.013 4.539 4.527 -0.001 0.000 0.300 218 F C 0.598 176.376 175.800 -0.035 0.000 1.168 218 F CA 0.184 58.166 58.000 -0.031 0.000 1.433 218 F CB -0.042 38.929 39.000 -0.048 0.000 1.115 218 F HN 0.061 nan 8.300 nan 0.000 0.582 219 Q N 0.051 119.906 119.800 0.093 0.000 2.439 219 Q HA -0.193 4.146 4.340 -0.001 0.000 0.325 219 Q C -2.247 173.768 176.000 0.026 0.000 1.372 219 Q CA -0.284 55.545 55.803 0.043 0.000 0.909 219 Q CB -1.637 27.108 28.738 0.012 0.000 1.167 219 Q HN 0.251 nan 8.270 nan 0.000 0.418 220 P HA 0.013 nan 4.420 nan 0.000 0.273 220 P C 0.198 177.436 177.300 -0.103 0.000 1.250 220 P CA -0.211 62.845 63.100 -0.073 0.000 0.793 220 P CB 0.664 32.300 31.700 -0.107 0.000 1.011 221 D N -0.489 119.783 120.400 -0.213 0.000 2.178 221 D HA -0.015 4.624 4.640 -0.001 0.000 0.201 221 D C 0.627 176.885 176.300 -0.070 0.000 0.980 221 D CA 1.740 55.627 54.000 -0.187 0.000 0.842 221 D CB -0.308 40.310 40.800 -0.304 0.000 0.948 221 D HN 0.466 nan 8.370 nan 0.000 0.472 222 F N -2.069 117.820 119.950 -0.101 0.000 2.744 222 F HA 0.462 4.988 4.527 -0.001 0.000 0.311 222 F C -1.806 173.942 175.800 -0.086 0.000 1.144 222 F CA -1.571 56.370 58.000 -0.097 0.000 0.938 222 F CB 0.610 39.527 39.000 -0.138 0.000 1.292 222 F HN -0.345 nan 8.300 nan 0.000 0.444 223 I N 1.867 122.629 120.570 0.320 0.000 2.406 223 I HA 0.370 4.539 4.170 -0.001 0.000 0.290 223 I C -0.683 175.572 176.117 0.229 0.000 0.999 223 I CA -0.560 60.886 61.300 0.242 0.000 1.124 223 I CB 1.920 40.038 38.000 0.197 0.000 1.289 223 I HN 0.728 nan 8.210 nan 0.000 0.441 224 E N 4.969 125.308 120.200 0.231 0.000 2.216 224 E HA 0.162 4.511 4.350 -0.001 0.000 0.279 224 E C -0.374 176.300 176.600 0.124 0.000 0.997 224 E CA -0.785 55.684 56.400 0.115 0.000 0.817 224 E CB 1.034 30.802 29.700 0.113 0.000 1.096 224 E HN 0.433 nan 8.360 nan 0.000 0.393 225 Q N 3.850 123.669 119.800 0.032 0.000 2.324 225 Q HA -0.183 4.156 4.340 -0.001 0.000 0.328 225 Q C -2.187 173.849 176.000 0.060 0.000 1.193 225 Q CA 0.169 55.977 55.803 0.008 0.000 1.059 225 Q CB -0.091 28.631 28.738 -0.026 0.000 1.179 225 Q HN 0.424 nan 8.270 nan 0.000 0.294 226 P HA -0.090 nan 4.420 nan 0.000 0.219 226 P C -0.039 177.197 177.300 -0.106 0.000 1.150 226 P CA 1.422 64.445 63.100 -0.129 0.000 0.814 226 P CB 0.210 31.732 31.700 -0.297 0.000 0.787 227 V N -4.902 114.972 119.914 -0.067 0.000 3.158 227 V HA 0.551 4.670 4.120 -0.001 0.000 0.315 227 V C 0.075 176.187 176.094 0.029 0.000 1.148 227 V CA -1.594 60.694 62.300 -0.019 0.000 1.042 227 V CB 1.292 33.073 31.823 -0.070 0.000 1.101 227 V HN -0.291 nan 8.190 nan 0.000 0.448 228 R N 0.927 121.487 120.500 0.100 0.000 2.697 228 R HA 0.180 4.519 4.340 -0.001 0.000 0.265 228 R C 1.565 177.819 176.300 -0.076 0.000 1.009 228 R CA 0.589 56.697 56.100 0.012 0.000 1.099 228 R CB -0.371 29.917 30.300 -0.021 0.000 0.965 228 R HN 1.119 nan 8.270 nan 0.000 0.428 229 A N 2.669 125.474 122.820 -0.025 0.000 1.927 229 A HA -0.276 4.043 4.320 -0.001 0.000 0.220 229 A C 1.767 179.445 177.584 0.158 0.000 1.185 229 A CA 2.273 54.343 52.037 0.055 0.000 0.639 229 A CB -0.900 18.166 19.000 0.111 0.000 0.820 229 A HN 0.944 nan 8.150 nan 0.000 0.451 230 H N -2.845 116.268 119.070 0.071 0.000 2.559 230 H HA 0.048 4.603 4.556 -0.001 0.000 0.273 230 H C 0.678 176.083 175.328 0.127 0.000 1.000 230 H CA 0.936 57.022 56.048 0.064 0.000 1.195 230 H CB -0.534 29.163 29.762 -0.108 0.000 1.368 230 H HN 0.533 nan 8.280 nan 0.000 0.592 231 H N 0.885 119.821 119.070 -0.224 0.000 2.983 231 H HA 0.012 4.567 4.556 -0.001 0.000 0.222 231 H C 0.251 175.632 175.328 0.090 0.000 1.828 231 H CA -0.293 55.688 56.048 -0.112 0.000 1.309 231 H CB -0.563 29.058 29.762 -0.235 0.000 1.644 231 H HN 0.384 nan 8.280 nan 0.000 0.561 232 F N 0.954 120.930 119.950 0.043 0.000 2.134 232 F HA -0.176 4.350 4.527 -0.002 0.000 0.299 232 F C 2.221 178.032 175.800 0.019 0.000 1.097 232 F CA 1.143 59.158 58.000 0.025 0.000 1.264 232 F CB -0.037 38.979 39.000 0.026 0.000 1.001 232 F HN 0.380 nan 8.300 nan 0.000 0.479 233 E N -0.270 120.068 120.200 0.231 0.000 2.038 233 E HA -0.249 4.100 4.350 -0.001 0.000 0.195 233 E C 2.140 178.767 176.600 0.046 0.000 1.000 233 E CA 1.417 57.887 56.400 0.116 0.000 0.803 233 E CB -0.551 29.214 29.700 0.107 0.000 0.750 233 E HN 0.219 nan 8.360 nan 0.000 0.448 234 L N 0.653 121.894 121.223 0.031 0.000 2.083 234 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 234 L C 2.113 178.943 176.870 -0.066 0.000 1.083 234 L CA 1.605 56.410 54.840 -0.057 0.000 0.752 234 L CB -0.282 41.670 42.059 -0.178 0.000 0.899 234 L HN 0.157 nan 8.230 nan 0.000 0.433 235 M N -0.688 118.878 119.600 -0.056 0.000 2.086 235 M HA -0.160 4.319 4.480 -0.001 0.000 0.261 235 M C 2.406 178.654 176.300 -0.088 0.000 1.067 235 M CA 1.838 57.079 55.300 -0.098 0.000 1.116 235 M CB -1.490 31.010 32.600 -0.167 0.000 1.348 235 M HN 0.437 nan 8.290 nan 0.000 0.407 236 A N 0.024 122.804 122.820 -0.067 0.000 1.940 236 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 236 A C 2.308 179.865 177.584 -0.045 0.000 1.176 236 A CA 1.613 53.618 52.037 -0.054 0.000 0.631 236 A CB -0.608 18.376 19.000 -0.027 0.000 0.814 236 A HN 0.472 nan 8.150 nan 0.000 0.446 237 R N -0.754 119.721 120.500 -0.041 0.000 2.075 237 R HA 0.013 4.352 4.340 -0.001 0.000 0.232 237 R C 2.050 178.321 176.300 -0.049 0.000 1.126 237 R CA 1.324 57.400 56.100 -0.041 0.000 0.963 237 R CB -0.484 29.791 30.300 -0.042 0.000 0.858 237 R HN 0.511 nan 8.270 nan 0.000 0.435 238 L N 0.238 121.424 121.223 -0.062 0.000 2.131 238 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 238 L C 2.764 179.605 176.870 -0.048 0.000 1.092 238 L CA 1.152 55.954 54.840 -0.063 0.000 0.759 238 L CB -0.394 41.617 42.059 -0.081 0.000 0.903 238 L HN 0.190 nan 8.230 nan 0.000 0.435 239 R N 0.462 120.933 120.500 -0.050 0.000 2.096 239 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 239 R C 2.022 178.305 176.300 -0.030 0.000 1.127 239 R CA 1.422 57.498 56.100 -0.041 0.000 0.968 239 R CB -0.344 29.926 30.300 -0.050 0.000 0.861 239 R HN 0.372 nan 8.270 nan 0.000 0.440 240 G N 0.064 108.846 108.800 -0.031 0.000 2.848 240 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.208 240 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.208 240 G C 1.245 176.132 174.900 -0.021 0.000 1.152 240 G CA -0.140 44.945 45.100 -0.024 0.000 0.789 240 G HN 0.207 nan 8.290 nan 0.000 0.531 241 L N 0.465 121.674 121.223 -0.023 0.000 2.341 241 L HA 0.187 4.526 4.340 -0.001 0.000 0.214 241 L C 1.543 178.405 176.870 -0.014 0.000 1.115 241 L CA 1.077 55.904 54.840 -0.021 0.000 0.820 241 L CB -0.252 41.790 42.059 -0.027 0.000 0.944 241 L HN 0.376 nan 8.230 nan 0.000 0.452 242 T N -6.506 108.043 114.554 -0.009 0.000 2.787 242 T HA 0.247 4.596 4.350 -0.001 0.000 0.297 242 T C -0.239 174.462 174.700 0.000 0.000 1.221 242 T CA -0.731 61.368 62.100 -0.002 0.000 1.006 242 T CB 2.008 70.880 68.868 0.007 0.000 1.328 242 T HN -0.184 nan 8.240 nan 0.000 0.509 243 D N 0.357 120.759 120.400 0.003 0.000 2.363 243 D HA 0.236 4.875 4.640 -0.001 0.000 0.214 243 D C 0.335 176.643 176.300 0.014 0.000 1.093 243 D CA 0.099 54.102 54.000 0.005 0.000 0.837 243 D CB 0.445 41.246 40.800 0.002 0.000 0.948 243 D HN 0.345 nan 8.370 nan 0.000 0.507 244 V N 2.878 122.804 119.914 0.021 0.000 2.508 244 V HA 0.116 4.235 4.120 -0.001 0.000 0.281 244 V C -1.985 174.136 176.094 0.045 0.000 1.041 244 V CA -1.325 60.996 62.300 0.036 0.000 1.016 244 V CB 0.956 32.807 31.823 0.046 0.000 0.984 244 V HN -0.086 nan 8.190 nan 0.000 0.478 245 P HA 0.074 nan 4.420 nan 0.000 0.264 245 P C -0.547 176.789 177.300 0.060 0.000 1.193 245 P CA 0.099 63.233 63.100 0.056 0.000 0.763 245 P CB 0.386 32.137 31.700 0.085 0.000 0.810 246 L N 5.031 126.257 121.223 0.004 0.000 2.280 246 L HA 0.384 4.723 4.340 -0.001 0.000 0.287 246 L C -0.721 176.098 176.870 -0.086 0.000 1.023 246 L CA -0.661 54.170 54.840 -0.016 0.000 0.819 246 L CB 0.415 42.455 42.059 -0.032 0.000 1.212 246 L HN 0.268 nan 8.230 nan 0.000 0.420 247 L N 4.362 125.506 121.223 -0.132 0.000 2.309 247 L HA 0.541 4.880 4.340 -0.001 0.000 0.282 247 L C 0.340 177.107 176.870 -0.171 0.000 1.036 247 L CA -0.514 54.182 54.840 -0.240 0.000 0.806 247 L CB 1.801 43.545 42.059 -0.526 0.000 1.220 247 L HN 0.643 nan 8.230 nan 0.000 0.429 248 A N 1.611 124.330 122.820 -0.169 0.000 2.309 248 A HA 0.387 4.706 4.320 -0.001 0.000 0.298 248 A C -0.214 177.298 177.584 -0.120 0.000 1.165 248 A CA -0.293 51.653 52.037 -0.151 0.000 0.821 248 A CB 1.136 20.029 19.000 -0.179 0.000 1.102 248 A HN 0.813 nan 8.150 nan 0.000 0.500 249 D N 0.666 121.009 120.400 -0.095 0.000 3.054 249 D HA 0.023 4.662 4.640 -0.001 0.000 0.209 249 D C 1.270 177.530 176.300 -0.066 0.000 1.527 249 D CA 0.476 54.429 54.000 -0.079 0.000 1.427 249 D CB -0.249 40.512 40.800 -0.065 0.000 1.059 249 D HN 0.450 nan 8.370 nan 0.000 0.243 250 E N 0.187 120.342 120.200 -0.075 0.000 2.267 250 E HA -0.028 4.321 4.350 -0.001 0.000 0.197 250 E C 1.933 178.618 176.600 0.141 0.000 0.998 250 E CA 0.968 57.360 56.400 -0.013 0.000 0.830 250 E CB -0.045 29.555 29.700 -0.166 0.000 0.751 250 E HN 0.067 nan 8.360 nan 0.000 0.491 251 S N -0.369 115.365 115.700 0.056 0.000 2.481 251 S HA 0.003 4.473 4.470 -0.001 0.000 0.231 251 S C 0.363 175.092 174.600 0.215 0.000 0.996 251 S CA 0.319 58.585 58.200 0.109 0.000 0.942 251 S CB 0.374 63.442 63.200 -0.221 0.000 0.768 251 S HN -0.045 nan 8.310 nan 0.000 0.520 252 V N 1.531 121.547 119.914 0.170 0.000 2.482 252 V HA 0.355 4.474 4.120 -0.001 0.000 0.295 252 V C -0.488 175.748 176.094 0.236 0.000 1.026 252 V CA -0.677 61.744 62.300 0.201 0.000 0.856 252 V CB 1.389 33.256 31.823 0.073 0.000 1.001 252 V HN 0.190 nan 8.190 nan 0.000 0.424 253 Y N 3.368 123.712 120.300 0.074 0.000 2.265 253 Y HA 0.554 5.103 4.550 -0.002 0.000 0.290 253 Y C 1.606 177.543 175.900 0.061 0.000 1.137 253 Y CA 0.902 59.044 58.100 0.070 0.000 1.147 253 Y CB 0.054 38.564 38.460 0.084 0.000 1.104 253 Y HN 0.656 nan 8.280 nan 0.000 0.514 254 G N -1.619 107.329 108.800 0.247 0.000 3.211 254 G HA2 0.351 4.310 3.960 -0.001 0.000 0.262 254 G HA3 0.351 4.310 3.960 -0.001 0.000 0.262 254 G C -2.136 172.833 174.900 0.115 0.000 1.352 254 G CA -1.187 44.002 45.100 0.149 0.000 1.004 254 G HN -0.183 nan 8.290 nan 0.000 0.559 255 P HA -0.063 nan 4.420 nan 0.000 0.216 255 P C 1.310 178.656 177.300 0.076 0.000 1.150 255 P CA 1.365 64.511 63.100 0.077 0.000 0.837 255 P CB 0.282 32.021 31.700 0.065 0.000 0.786 256 E N -0.436 119.807 120.200 0.071 0.000 2.038 256 E HA -0.184 4.165 4.350 -0.001 0.000 0.195 256 E C 1.787 178.434 176.600 0.079 0.000 1.000 256 E CA 1.404 57.839 56.400 0.059 0.000 0.803 256 E CB -1.014 28.710 29.700 0.041 0.000 0.750 256 E HN 0.285 nan 8.360 nan 0.000 0.448 257 D N -0.220 120.246 120.400 0.111 0.000 2.144 257 D HA -0.140 4.500 4.640 -0.001 0.000 0.199 257 D C 1.860 178.262 176.300 0.170 0.000 0.984 257 D CA 0.880 54.981 54.000 0.169 0.000 0.834 257 D CB -0.199 40.735 40.800 0.224 0.000 0.955 257 D HN 0.098 nan 8.370 nan 0.000 0.465 258 M N 0.473 120.142 119.600 0.116 0.000 2.117 258 M HA -0.119 4.360 4.480 -0.001 0.000 0.262 258 M C 1.985 178.311 176.300 0.043 0.000 1.065 258 M CA 1.036 56.378 55.300 0.071 0.000 1.114 258 M CB -0.344 32.293 32.600 0.062 0.000 1.361 258 M HN -0.175 nan 8.290 nan 0.000 0.408 259 V N 0.131 120.081 119.914 0.062 0.000 2.287 259 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 259 V C 2.575 178.708 176.094 0.066 0.000 1.053 259 V CA 2.337 64.666 62.300 0.049 0.000 1.027 259 V CB -0.854 31.006 31.823 0.062 0.000 0.646 259 V HN 0.544 nan 8.190 nan 0.000 0.447 260 R N 0.046 120.616 120.500 0.118 0.000 2.073 260 R HA -0.148 4.191 4.340 -0.001 0.000 0.234 260 R C 2.306 178.791 176.300 0.307 0.000 1.134 260 R CA 1.669 57.884 56.100 0.192 0.000 0.952 260 R CB -0.445 29.942 30.300 0.146 0.000 0.850 260 R HN 0.480 nan 8.270 nan 0.000 0.433 261 A N 0.748 123.751 122.820 0.304 0.000 1.902 261 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 261 A C 2.339 179.918 177.584 -0.009 0.000 1.181 261 A CA 1.713 53.834 52.037 0.139 0.000 0.623 261 A CB -0.697 18.287 19.000 -0.027 0.000 0.818 261 A HN 0.552 nan 8.150 nan 0.000 0.443 262 A N -1.039 121.727 122.820 -0.091 0.000 1.898 262 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 262 A C 2.041 179.538 177.584 -0.145 0.000 1.181 262 A CA 2.048 53.918 52.037 -0.279 0.000 0.620 262 A CB -0.870 17.631 19.000 -0.832 0.000 0.819 262 A HN 0.735 nan 8.150 nan 0.000 0.442 263 H N 0.174 119.176 119.070 -0.114 0.000 2.353 263 H HA -0.049 4.506 4.556 -0.001 0.000 0.300 263 H C 1.612 176.955 175.328 0.025 0.000 1.090 263 H CA 2.059 58.099 56.048 -0.013 0.000 1.327 263 H CB -0.104 29.672 29.762 0.024 0.000 1.383 263 H HN 0.586 nan 8.280 nan 0.000 0.508 264 E N -0.569 119.604 120.200 -0.045 0.000 2.502 264 E HA 0.099 4.448 4.350 -0.001 0.000 0.194 264 E C 0.734 177.299 176.600 -0.058 0.000 1.062 264 E CA 0.267 56.630 56.400 -0.062 0.000 0.867 264 E CB 0.220 30.018 29.700 0.163 0.000 0.888 264 E HN 0.666 nan 8.360 nan 0.000 0.510 265 G N 2.710 111.468 108.800 -0.070 0.000 2.366 265 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.299 265 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.299 265 G C 0.694 175.546 174.900 -0.080 0.000 1.020 265 G CA 0.698 45.756 45.100 -0.070 0.000 1.026 265 G HN 0.535 nan 8.290 nan 0.000 0.512 266 I N -2.587 117.911 120.570 -0.120 0.000 3.251 266 I HA 0.353 4.522 4.170 -0.001 0.000 0.277 266 I C 1.219 177.236 176.117 -0.165 0.000 1.268 266 I CA 0.323 61.518 61.300 -0.176 0.000 1.449 266 I CB -0.400 37.375 38.000 -0.375 0.000 1.083 266 I HN 0.637 nan 8.210 nan 0.000 0.464 267 C N -1.442 117.778 119.300 -0.135 0.000 3.332 267 C HA 0.509 4.968 4.460 -0.001 0.000 0.329 267 C C 0.313 175.254 174.990 -0.081 0.000 1.434 267 C CA -0.617 58.332 59.018 -0.115 0.000 1.314 267 C CB 1.744 29.398 27.740 -0.143 0.000 1.664 267 C HN 0.277 nan 8.230 nan 0.000 0.457 268 D N 0.120 120.477 120.400 -0.073 0.000 2.417 268 D HA 0.405 5.044 4.640 -0.001 0.000 0.207 268 D C 0.743 177.008 176.300 -0.059 0.000 1.075 268 D CA 1.270 55.241 54.000 -0.048 0.000 0.851 268 D CB 1.292 42.073 40.800 -0.032 0.000 0.976 268 D HN 1.090 nan 8.370 nan 0.000 0.505 269 G N -0.094 108.648 108.800 -0.097 0.000 2.495 269 G HA2 0.424 4.383 3.960 -0.001 0.000 0.294 269 G HA3 0.424 4.383 3.960 -0.001 0.000 0.294 269 G C -2.080 172.734 174.900 -0.143 0.000 1.397 269 G CA -0.403 44.631 45.100 -0.110 0.000 0.790 269 G HN 0.003 nan 8.290 nan 0.000 0.486 270 V N -0.543 119.295 119.914 -0.128 0.000 2.925 270 V HA 0.808 4.927 4.120 -0.001 0.000 0.311 270 V C -0.365 175.672 176.094 -0.095 0.000 1.104 270 V CA -0.304 61.927 62.300 -0.115 0.000 0.954 270 V CB 2.107 33.892 31.823 -0.064 0.000 1.022 270 V HN 1.359 nan 8.190 nan 0.000 0.427 271 S N 6.485 122.136 115.700 -0.082 0.000 2.430 271 S HA 0.594 5.064 4.470 -0.001 0.000 0.289 271 S C -0.493 174.082 174.600 -0.042 0.000 1.143 271 S CA -0.537 57.661 58.200 -0.003 0.000 1.067 271 S CB -0.087 63.133 63.200 0.032 0.000 0.964 271 S HN 0.550 nan 8.310 nan 0.000 0.485 272 I N 5.419 125.957 120.570 -0.053 0.000 2.331 272 I HA 0.424 4.593 4.170 -0.001 0.000 0.292 272 I C -0.064 176.020 176.117 -0.055 0.000 0.998 272 I CA -0.489 60.783 61.300 -0.046 0.000 1.267 272 I CB 1.353 39.341 38.000 -0.020 0.000 1.386 272 I HN 0.503 nan 8.210 nan 0.000 0.476 273 K N 6.402 126.775 120.400 -0.045 0.000 2.482 273 K HA 0.373 4.692 4.320 -0.001 0.000 0.251 273 K C 0.830 177.427 176.600 -0.005 0.000 0.936 273 K CA -0.613 55.659 56.287 -0.025 0.000 0.791 273 K CB 2.775 35.237 32.500 -0.063 0.000 1.213 273 K HN 0.611 nan 8.250 nan 0.000 0.428 274 I N -0.979 119.610 120.570 0.031 0.000 2.454 274 I HA -0.197 3.972 4.170 -0.001 0.000 0.254 274 I C 1.288 177.424 176.117 0.031 0.000 1.156 274 I CA 1.056 62.377 61.300 0.036 0.000 1.433 274 I CB -0.151 37.874 38.000 0.042 0.000 1.082 274 I HN 0.510 nan 8.210 nan 0.000 0.432 275 M N 1.406 121.019 119.600 0.021 0.000 2.374 275 M HA -0.066 4.414 4.480 -0.001 0.000 0.264 275 M C 2.002 178.315 176.300 0.021 0.000 1.067 275 M CA 1.548 56.870 55.300 0.037 0.000 1.103 275 M CB -0.957 31.672 32.600 0.047 0.000 1.402 275 M HN 0.380 nan 8.290 nan 0.000 0.444 276 K N -0.309 120.046 120.400 -0.074 0.000 2.168 276 K HA 0.035 4.354 4.320 -0.001 0.000 0.201 276 K C 2.015 178.650 176.600 0.058 0.000 1.049 276 K CA 1.267 57.425 56.287 -0.216 0.000 0.974 276 K CB -0.008 32.139 32.500 -0.589 0.000 0.792 276 K HN 0.332 nan 8.250 nan 0.000 0.463 277 S N 0.095 115.822 115.700 0.045 0.000 2.515 277 S HA 0.008 4.477 4.470 -0.001 0.000 0.231 277 S C 1.431 176.093 174.600 0.103 0.000 0.987 277 S CA 0.639 58.895 58.200 0.093 0.000 0.936 277 S CB -0.200 63.038 63.200 0.062 0.000 0.766 277 S HN 0.432 nan 8.310 nan 0.000 0.528 278 G N 0.151 109.010 108.800 0.098 0.000 2.198 278 G HA2 0.239 4.198 3.960 -0.001 0.000 0.260 278 G HA3 0.239 4.198 3.960 -0.001 0.000 0.260 278 G C 0.456 175.396 174.900 0.066 0.000 1.025 278 G CA -0.078 45.076 45.100 0.090 0.000 0.769 278 G HN 1.762 nan 8.290 nan 0.000 0.507 279 G N -2.602 106.233 108.800 0.059 0.000 2.347 279 G HA2 0.458 4.417 3.960 -0.001 0.000 0.303 279 G HA3 0.458 4.417 3.960 -0.001 0.000 0.303 279 G C 0.210 175.141 174.900 0.051 0.000 1.481 279 G CA -0.050 45.080 45.100 0.050 0.000 0.914 279 G HN 0.782 nan 8.290 nan 0.000 0.638 280 L N 0.400 121.653 121.223 0.050 0.000 2.072 280 L HA 0.114 4.453 4.340 -0.001 0.000 0.205 280 L C 3.115 180.022 176.870 0.061 0.000 1.079 280 L CA 2.683 57.559 54.840 0.060 0.000 0.752 280 L CB -0.864 41.234 42.059 0.065 0.000 0.906 280 L HN 0.696 nan 8.230 nan 0.000 0.436 281 T N -0.938 113.649 114.554 0.054 0.000 2.777 281 T HA -0.164 4.185 4.350 -0.001 0.000 0.266 281 T C 2.096 176.827 174.700 0.053 0.000 1.040 281 T CA 1.163 63.294 62.100 0.053 0.000 1.141 281 T CB -0.143 68.752 68.868 0.045 0.000 0.868 281 T HN 0.212 nan 8.240 nan 0.000 0.444 282 R N 0.770 121.301 120.500 0.052 0.000 2.120 282 R HA 0.034 4.373 4.340 -0.001 0.000 0.234 282 R C 2.720 179.055 176.300 0.058 0.000 1.123 282 R CA 1.123 57.257 56.100 0.056 0.000 0.975 282 R CB -0.357 29.980 30.300 0.061 0.000 0.866 282 R HN 0.357 nan 8.270 nan 0.000 0.446 283 A N 0.954 123.808 122.820 0.056 0.000 1.898 283 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 283 A C 1.997 179.611 177.584 0.051 0.000 1.181 283 A CA 1.117 53.185 52.037 0.051 0.000 0.620 283 A CB -0.313 18.719 19.000 0.053 0.000 0.819 283 A HN 0.312 nan 8.150 nan 0.000 0.442 284 Q N -0.841 118.993 119.800 0.057 0.000 2.084 284 Q HA -0.128 4.211 4.340 -0.001 0.000 0.202 284 Q C 2.152 178.183 176.000 0.052 0.000 0.978 284 Q CA 1.871 57.707 55.803 0.056 0.000 0.844 284 Q CB -0.438 28.336 28.738 0.061 0.000 0.898 284 Q HN 0.667 nan 8.270 nan 0.000 0.426 285 T N 0.677 115.262 114.554 0.053 0.000 2.720 285 T HA -0.125 4.224 4.350 -0.001 0.000 0.268 285 T C 2.036 176.771 174.700 0.057 0.000 1.037 285 T CA 1.238 63.370 62.100 0.053 0.000 1.144 285 T CB -0.238 68.662 68.868 0.053 0.000 0.864 285 T HN 0.052 nan 8.240 nan 0.000 0.444 286 V N 1.677 121.625 119.914 0.056 0.000 2.295 286 V HA -0.190 3.929 4.120 -0.001 0.000 0.246 286 V C 2.892 179.017 176.094 0.051 0.000 1.049 286 V CA 1.763 64.096 62.300 0.056 0.000 1.024 286 V CB -1.211 30.641 31.823 0.049 0.000 0.648 286 V HN 0.542 nan 8.190 nan 0.000 0.447 287 A N -0.026 122.820 122.820 0.044 0.000 1.902 287 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 287 A C 2.349 179.962 177.584 0.048 0.000 1.181 287 A CA 1.922 53.983 52.037 0.040 0.000 0.623 287 A CB -0.482 18.540 19.000 0.036 0.000 0.818 287 A HN 0.534 nan 8.150 nan 0.000 0.443 288 R N -0.630 119.901 120.500 0.051 0.000 2.092 288 R HA 0.057 4.396 4.340 -0.001 0.000 0.231 288 R C 1.898 178.236 176.300 0.065 0.000 1.119 288 R CA 1.407 57.537 56.100 0.050 0.000 0.970 288 R CB -0.377 29.951 30.300 0.046 0.000 0.864 288 R HN 0.562 nan 8.270 nan 0.000 0.440 289 I N 0.347 120.967 120.570 0.085 0.000 2.353 289 I HA -0.183 3.986 4.170 -0.001 0.000 0.248 289 I C 2.502 178.735 176.117 0.193 0.000 1.119 289 I CA 0.878 62.261 61.300 0.138 0.000 1.417 289 I CB -0.321 37.761 38.000 0.137 0.000 1.078 289 I HN 0.186 nan 8.210 nan 0.000 0.421 290 A N 0.956 123.848 122.820 0.120 0.000 1.877 290 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 290 A C 2.560 180.210 177.584 0.110 0.000 1.186 290 A CA 1.901 54.000 52.037 0.103 0.000 0.620 290 A CB -0.858 18.170 19.000 0.046 0.000 0.822 290 A HN 0.413 nan 8.150 nan 0.000 0.443 291 A N -0.152 122.713 122.820 0.074 0.000 1.940 291 A HA 0.124 4.444 4.320 -0.001 0.000 0.219 291 A C 2.458 180.067 177.584 0.043 0.000 1.176 291 A CA 2.127 54.195 52.037 0.052 0.000 0.631 291 A CB -0.991 18.031 19.000 0.037 0.000 0.814 291 A HN 1.150 nan 8.150 nan 0.000 0.446 292 A N -1.792 121.050 122.820 0.036 0.000 2.070 292 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 292 A C 1.777 179.285 177.584 -0.127 0.000 1.159 292 A CA 1.341 53.349 52.037 -0.049 0.000 0.656 292 A CB -0.692 18.261 19.000 -0.080 0.000 0.800 292 A HN 0.682 nan 8.150 nan 0.000 0.453 293 H N -1.311 117.771 119.070 0.021 0.000 2.549 293 H HA 0.258 4.813 4.556 -0.002 0.000 0.279 293 H C 1.389 176.726 175.328 0.014 0.000 1.018 293 H CA 0.452 56.513 56.048 0.022 0.000 1.175 293 H CB 0.085 29.863 29.762 0.027 0.000 1.485 293 H HN 0.597 nan 8.280 nan 0.000 0.543 294 G N 1.562 110.416 108.800 0.091 0.000 2.225 294 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.264 294 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.264 294 G C -0.089 174.843 174.900 0.055 0.000 1.060 294 G CA 0.086 45.221 45.100 0.057 0.000 0.833 294 G HN 0.265 nan 8.290 nan 0.000 0.498 295 L N 0.081 121.341 121.223 0.061 0.000 2.346 295 L HA 0.726 5.065 4.340 -0.001 0.000 0.274 295 L C 1.181 178.061 176.870 0.017 0.000 1.007 295 L CA -1.347 53.511 54.840 0.030 0.000 0.818 295 L CB 1.685 43.758 42.059 0.024 0.000 1.284 295 L HN 0.384 nan 8.230 nan 0.000 0.424 296 M N 1.571 121.169 119.600 -0.004 0.000 2.197 296 M HA 0.822 5.301 4.480 -0.001 0.000 0.305 296 M C -0.484 175.806 176.300 -0.016 0.000 1.162 296 M CA -0.245 55.053 55.300 -0.002 0.000 1.099 296 M CB 1.287 33.886 32.600 -0.000 0.000 1.430 296 M HN 0.593 nan 8.290 nan 0.000 0.481 297 A N 1.140 123.965 122.820 0.008 0.000 2.449 297 A HA 0.736 5.055 4.320 -0.001 0.000 0.302 297 A C -2.077 175.553 177.584 0.078 0.000 1.048 297 A CA -0.531 51.516 52.037 0.016 0.000 0.708 297 A CB 1.388 20.399 19.000 0.019 0.000 1.274 297 A HN 0.868 nan 8.150 nan 0.000 0.410 298 Y N 0.833 121.066 120.300 -0.111 0.000 2.462 298 Y HA 0.594 5.143 4.550 -0.001 0.000 0.346 298 Y C 0.467 176.312 175.900 -0.091 0.000 0.976 298 Y CA -0.673 57.370 58.100 -0.095 0.000 1.044 298 Y CB 1.995 40.355 38.460 -0.165 0.000 1.230 298 Y HN 0.830 nan 8.280 nan 0.000 0.455 299 G N 3.523 111.941 108.800 -0.637 0.000 2.770 299 G HA2 0.435 4.394 3.960 -0.001 0.000 0.307 299 G HA3 0.435 4.394 3.960 -0.001 0.000 0.307 299 G C 0.219 174.531 174.900 -0.981 0.000 0.863 299 G CA 0.076 44.794 45.100 -0.636 0.000 1.595 299 G HN 0.983 nan 8.290 nan 0.000 0.496 300 G N 1.270 109.690 108.800 -0.634 0.000 2.588 300 G HA2 0.564 4.523 3.960 -0.001 0.000 0.281 300 G HA3 0.564 4.523 3.960 -0.001 0.000 0.281 300 G C -0.466 174.306 174.900 -0.213 0.000 1.236 300 G CA -0.200 44.640 45.100 -0.433 0.000 0.969 300 G HN 0.665 nan 8.290 nan 0.000 0.504 301 D N -1.956 118.364 120.400 -0.134 0.000 2.665 301 D HA 0.352 4.991 4.640 -0.001 0.000 0.287 301 D C -0.244 175.971 176.300 -0.142 0.000 1.266 301 D CA -0.619 53.365 54.000 -0.027 0.000 0.830 301 D CB 0.859 41.746 40.800 0.145 0.000 1.356 301 D HN 0.184 nan 8.370 nan 0.000 0.437 302 M N -0.660 118.869 119.600 -0.119 0.000 2.544 302 M HA 0.410 4.889 4.480 -0.001 0.000 0.239 302 M C -0.085 176.017 176.300 -0.329 0.000 1.030 302 M CA -0.590 54.591 55.300 -0.199 0.000 1.193 302 M CB -0.282 32.322 32.600 0.006 0.000 1.346 302 M HN 0.346 nan 8.290 nan 0.000 0.651 303 F N 1.753 121.643 119.950 -0.101 0.000 2.567 303 F HA 0.181 4.707 4.527 -0.002 0.000 0.352 303 F C 0.645 176.463 175.800 0.031 0.000 1.229 303 F CA -0.268 57.696 58.000 -0.060 0.000 1.228 303 F CB -0.439 38.558 39.000 -0.005 0.000 1.568 303 F HN 0.330 nan 8.300 nan 0.000 0.634 304 E N 0.755 120.990 120.200 0.058 0.000 2.259 304 E HA 0.860 5.209 4.350 -0.001 0.000 0.257 304 E C -0.477 175.982 176.600 -0.236 0.000 0.998 304 E CA -1.332 55.045 56.400 -0.039 0.000 0.866 304 E CB 1.452 31.114 29.700 -0.064 0.000 1.220 304 E HN 0.321 nan 8.360 nan 0.000 0.415 305 A N 0.223 122.820 122.820 -0.371 0.000 2.452 305 A HA 0.589 4.908 4.320 -0.001 0.000 0.285 305 A C 1.203 178.250 177.584 -0.895 0.000 1.209 305 A CA -0.097 51.636 52.037 -0.507 0.000 0.940 305 A CB 0.129 18.962 19.000 -0.278 0.000 1.440 305 A HN 0.710 nan 8.150 nan 0.000 0.480 306 G N -1.098 107.316 108.800 -0.644 0.000 2.448 306 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.219 306 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.219 306 G C 1.241 175.878 174.900 -0.439 0.000 1.127 306 G CA 1.330 46.067 45.100 -0.605 0.000 0.766 306 G HN 0.554 nan 8.290 nan 0.000 0.552 307 L N 1.331 122.366 121.223 -0.313 0.000 2.027 307 L HA 0.181 4.520 4.340 -0.001 0.000 0.206 307 L C 3.045 179.799 176.870 -0.193 0.000 1.074 307 L CA 2.097 56.823 54.840 -0.191 0.000 0.745 307 L CB -0.822 41.156 42.059 -0.136 0.000 0.898 307 L HN 0.220 nan 8.230 nan 0.000 0.433 308 A N -1.565 121.107 122.820 -0.247 0.000 1.902 308 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 308 A C 2.161 179.543 177.584 -0.337 0.000 1.181 308 A CA 1.733 53.643 52.037 -0.212 0.000 0.623 308 A CB -1.065 17.836 19.000 -0.165 0.000 0.818 308 A HN 0.707 nan 8.150 nan 0.000 0.443 309 H N -0.494 118.182 119.070 -0.656 0.000 2.319 309 H HA -0.098 4.457 4.556 -0.001 0.000 0.299 309 H C 2.008 176.815 175.328 -0.870 0.000 1.092 309 H CA 1.273 56.624 56.048 -1.162 0.000 1.302 309 H CB -0.150 28.684 29.762 -1.547 0.000 1.373 309 H HN 0.374 nan 8.280 nan 0.000 0.497 310 L N 0.252 121.298 121.223 -0.296 0.000 2.046 310 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 310 L C 2.953 179.886 176.870 0.105 0.000 1.077 310 L CA 0.774 55.648 54.840 0.057 0.000 0.747 310 L CB -0.444 41.702 42.059 0.145 0.000 0.896 310 L HN 0.321 nan 8.230 nan 0.000 0.432 311 A N 0.332 123.140 122.820 -0.020 0.000 1.877 311 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 311 A C 2.395 179.989 177.584 0.016 0.000 1.186 311 A CA 1.859 53.911 52.037 0.024 0.000 0.620 311 A CB -1.311 17.677 19.000 -0.021 0.000 0.822 311 A HN 0.446 nan 8.150 nan 0.000 0.443 312 G N -1.540 107.154 108.800 -0.177 0.000 2.422 312 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.218 312 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.218 312 G C 1.525 176.485 174.900 0.100 0.000 1.140 312 G CA 1.575 46.622 45.100 -0.088 0.000 0.775 312 G HN 0.435 nan 8.290 nan 0.000 0.545 313 T N 0.083 114.625 114.554 -0.020 0.000 2.777 313 T HA -0.065 4.284 4.350 -0.001 0.000 0.266 313 T C 2.074 176.852 174.700 0.129 0.000 1.040 313 T CA 1.003 63.218 62.100 0.192 0.000 1.141 313 T CB -0.324 68.655 68.868 0.184 0.000 0.868 313 T HN 0.357 nan 8.240 nan 0.000 0.444 314 H N 0.309 119.481 119.070 0.169 0.000 2.389 314 H HA 0.045 4.601 4.556 -0.001 0.000 0.299 314 H C 2.381 177.825 175.328 0.193 0.000 1.081 314 H CA 1.127 57.313 56.048 0.229 0.000 1.345 314 H CB -0.266 29.619 29.762 0.205 0.000 1.393 314 H HN 0.225 nan 8.280 nan 0.000 0.520 315 M N 1.017 120.770 119.600 0.256 0.000 2.067 315 M HA -0.148 4.331 4.480 -0.001 0.000 0.260 315 M C 2.236 178.627 176.300 0.150 0.000 1.069 315 M CA 1.490 56.900 55.300 0.182 0.000 1.117 315 M CB -0.671 32.014 32.600 0.143 0.000 1.334 315 M HN 0.162 nan 8.290 nan 0.000 0.407 316 I N 0.638 121.298 120.570 0.150 0.000 2.286 316 I HA -0.247 3.922 4.170 -0.001 0.000 0.248 316 I C 2.562 178.717 176.117 0.063 0.000 1.115 316 I CA 1.111 62.472 61.300 0.102 0.000 1.392 316 I CB -0.729 37.339 38.000 0.114 0.000 1.065 316 I HN 0.348 nan 8.210 nan 0.000 0.418 317 A N 0.662 123.517 122.820 0.058 0.000 2.024 317 A HA -0.101 4.218 4.320 -0.001 0.000 0.220 317 A C 2.243 179.810 177.584 -0.029 0.000 1.164 317 A CA 1.881 53.896 52.037 -0.036 0.000 0.643 317 A CB -0.535 18.395 19.000 -0.117 0.000 0.806 317 A HN 0.454 nan 8.150 nan 0.000 0.451 318 A N -1.347 121.516 122.820 0.073 0.000 2.387 318 A HA 0.407 4.727 4.320 -0.001 0.000 0.234 318 A C 0.583 178.207 177.584 0.067 0.000 1.253 318 A CA 0.566 52.657 52.037 0.090 0.000 0.894 318 A CB -0.064 19.046 19.000 0.182 0.000 0.963 318 A HN 0.197 nan 8.150 nan 0.000 0.508 319 T N 1.907 116.491 114.554 0.050 0.000 3.150 319 T HA 0.294 4.643 4.350 -0.001 0.000 0.383 319 T C -2.105 172.611 174.700 0.026 0.000 1.313 319 T CA -0.996 61.131 62.100 0.044 0.000 1.235 319 T CB 1.511 70.411 68.868 0.053 0.000 1.088 319 T HN 0.137 nan 8.240 nan 0.000 0.556 320 P HA -0.115 nan 4.420 nan 0.000 0.219 320 P C 0.961 178.271 177.300 0.018 0.000 1.146 320 P CA 1.091 64.198 63.100 0.011 0.000 0.808 320 P CB 0.476 32.180 31.700 0.008 0.000 0.779 321 E N -0.143 120.071 120.200 0.024 0.000 2.265 321 E HA -0.036 4.313 4.350 -0.001 0.000 0.196 321 E C 0.890 177.507 176.600 0.028 0.000 0.996 321 E CA 0.505 56.921 56.400 0.027 0.000 0.832 321 E CB -0.577 29.141 29.700 0.031 0.000 0.756 321 E HN 0.384 nan 8.360 nan 0.000 0.491 322 I N 1.542 122.128 120.570 0.027 0.000 2.281 322 I HA 0.042 4.211 4.170 -0.001 0.000 0.293 322 I C 0.798 176.935 176.117 0.033 0.000 1.085 322 I CA 0.006 61.323 61.300 0.028 0.000 1.257 322 I CB 0.871 38.879 38.000 0.013 0.000 1.430 322 I HN 0.037 nan 8.210 nan 0.000 0.489 323 T N 2.506 117.091 114.554 0.051 0.000 3.010 323 T HA 0.255 4.604 4.350 -0.001 0.000 0.257 323 T C 1.052 175.805 174.700 0.089 0.000 1.020 323 T CA -0.072 62.060 62.100 0.054 0.000 0.938 323 T CB 0.077 68.971 68.868 0.044 0.000 1.049 323 T HN 0.434 nan 8.240 nan 0.000 0.522 324 L N 1.723 123.037 121.223 0.152 0.000 2.627 324 L HA 0.467 4.806 4.340 -0.001 0.000 0.232 324 L C 1.513 178.573 176.870 0.317 0.000 1.150 324 L CA 0.179 55.166 54.840 0.245 0.000 0.917 324 L CB -0.929 41.329 42.059 0.332 0.000 1.104 324 L HN 0.677 nan 8.230 nan 0.000 0.445 325 G N -0.091 108.811 108.800 0.170 0.000 2.660 325 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.247 325 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.247 325 G C -0.570 174.267 174.900 -0.105 0.000 1.328 325 G CA -0.599 44.549 45.100 0.081 0.000 0.884 325 G HN 0.376 nan 8.290 nan 0.000 0.531 326 C N -1.843 117.307 119.300 -0.250 0.000 3.154 326 C HA 0.937 5.396 4.460 -0.001 0.000 0.312 326 C C 0.249 174.902 174.990 -0.563 0.000 1.349 326 C CA 0.152 58.755 59.018 -0.692 0.000 1.518 326 C CB 1.569 28.735 27.740 -0.956 0.000 1.934 326 C HN 1.436 nan 8.230 nan 0.000 0.462 327 E N 0.173 119.915 120.200 -0.763 0.000 3.388 327 E HA 0.280 4.630 4.350 -0.001 0.000 0.214 327 E C -1.259 175.195 176.600 -0.243 0.000 1.040 327 E CA -0.358 55.882 56.400 -0.267 0.000 1.327 327 E CB -0.103 29.580 29.700 -0.028 0.000 1.243 327 E HN 0.536 nan 8.360 nan 0.000 0.444 328 F N 2.161 121.975 119.950 -0.227 0.000 2.640 328 F HA 0.153 4.679 4.527 -0.001 0.000 0.354 328 F C 0.588 176.112 175.800 -0.461 0.000 1.213 328 F CA -1.182 56.364 58.000 -0.756 0.000 1.314 328 F CB -0.780 37.732 39.000 -0.814 0.000 1.679 328 F HN 0.317 nan 8.300 nan 0.000 0.622 329 Y N -1.710 118.574 120.300 -0.026 0.000 2.458 329 Y HA 0.201 4.750 4.550 -0.001 0.000 0.254 329 Y C 1.618 177.718 175.900 0.333 0.000 1.120 329 Y CA -0.054 58.172 58.100 0.211 0.000 1.282 329 Y CB -0.509 38.061 38.460 0.183 0.000 1.109 329 Y HN 0.138 nan 8.280 nan 0.000 0.526 330 Q N 1.923 121.540 119.800 -0.305 0.000 2.084 330 Q HA -0.085 4.254 4.340 -0.001 0.000 0.202 330 Q C 2.557 178.701 176.000 0.241 0.000 0.978 330 Q CA 2.312 58.137 55.803 0.037 0.000 0.844 330 Q CB -0.563 28.181 28.738 0.009 0.000 0.898 330 Q HN 0.644 nan 8.270 nan 0.000 0.426 331 A N -0.267 122.713 122.820 0.267 0.000 1.972 331 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 331 A C 2.145 179.791 177.584 0.105 0.000 1.169 331 A CA 1.872 53.966 52.037 0.096 0.000 0.635 331 A CB -0.367 18.655 19.000 0.036 0.000 0.810 331 A HN 0.300 nan 8.150 nan 0.000 0.446 332 S N -2.438 113.332 115.700 0.116 0.000 2.456 332 S HA 0.116 4.585 4.470 -0.001 0.000 0.224 332 S C 1.025 175.411 174.600 -0.356 0.000 1.035 332 S CA 0.756 58.846 58.200 -0.182 0.000 0.940 332 S CB -0.204 62.775 63.200 -0.368 0.000 0.799 332 S HN 0.695 nan 8.310 nan 0.000 0.508 333 Y N -1.468 119.001 120.300 0.282 0.000 2.527 333 Y HA 0.448 4.997 4.550 -0.001 0.000 0.247 333 Y C 1.076 177.199 175.900 0.372 0.000 1.138 333 Y CA -0.844 57.427 58.100 0.285 0.000 1.228 333 Y CB 0.249 38.880 38.460 0.286 0.000 1.252 333 Y HN 0.250 nan 8.280 nan 0.000 0.531 334 F N -0.202 119.923 119.950 0.291 0.000 2.537 334 F HA 0.400 4.926 4.527 -0.002 0.000 0.275 334 F C 0.352 176.223 175.800 0.118 0.000 0.947 334 F CA -0.193 57.947 58.000 0.234 0.000 1.238 334 F CB -0.023 39.144 39.000 0.278 0.000 1.071 334 F HN -0.327 nan 8.300 nan 0.000 0.749 335 L N 1.884 123.110 121.223 0.006 0.000 2.426 335 L HA 0.072 4.412 4.340 -0.001 0.000 0.271 335 L C 1.629 178.422 176.870 -0.128 0.000 1.169 335 L CA -0.033 54.709 54.840 -0.165 0.000 0.836 335 L CB 0.210 42.207 42.059 -0.102 0.000 1.112 335 L HN 0.251 nan 8.230 nan 0.000 0.465 336 N N 1.843 120.443 118.700 -0.168 0.000 2.120 336 N HA -0.122 4.617 4.740 -0.001 0.000 0.188 336 N C 0.226 175.700 175.510 -0.060 0.000 1.024 336 N CA 1.219 54.214 53.050 -0.092 0.000 0.852 336 N CB 0.485 38.923 38.487 -0.080 0.000 1.003 336 N HN 0.753 nan 8.380 nan 0.000 0.424 337 E N -0.174 119.965 120.200 -0.102 0.000 2.343 337 E HA 0.156 4.506 4.350 -0.001 0.000 0.278 337 E C -1.903 174.618 176.600 -0.131 0.000 0.910 337 E CA -0.714 55.645 56.400 -0.068 0.000 0.757 337 E CB 1.564 31.275 29.700 0.019 0.000 1.218 337 E HN -0.004 nan 8.360 nan 0.000 0.435 338 D N 1.919 122.268 120.400 -0.086 0.000 2.432 338 D HA 0.228 4.867 4.640 -0.001 0.000 0.258 338 D C 1.007 177.244 176.300 -0.105 0.000 1.146 338 D CA -0.347 53.584 54.000 -0.114 0.000 1.015 338 D CB 1.017 41.768 40.800 -0.081 0.000 1.107 338 D HN 0.531 nan 8.370 nan 0.000 0.529 339 I N -1.137 119.350 120.570 -0.137 0.000 3.883 339 I HA 0.270 4.439 4.170 -0.001 0.000 0.326 339 I C -0.119 175.900 176.117 -0.164 0.000 1.283 339 I CA -0.295 60.925 61.300 -0.134 0.000 1.161 339 I CB -0.122 37.778 38.000 -0.168 0.000 1.012 339 I HN 0.005 nan 8.210 nan 0.000 0.421 340 L N 1.461 122.603 121.223 -0.136 0.000 2.418 340 L HA 0.286 4.625 4.340 -0.001 0.000 0.265 340 L C 1.276 178.090 176.870 -0.093 0.000 1.143 340 L CA -0.137 54.624 54.840 -0.132 0.000 0.809 340 L CB 1.056 43.071 42.059 -0.072 0.000 1.124 340 L HN 0.140 nan 8.230 nan 0.000 0.456 341 E N 0.098 120.239 120.200 -0.098 0.000 2.285 341 E HA -0.048 4.301 4.350 -0.001 0.000 0.194 341 E C 0.070 176.650 176.600 -0.033 0.000 0.997 341 E CA 0.791 57.152 56.400 -0.065 0.000 0.845 341 E CB 0.196 29.856 29.700 -0.067 0.000 0.782 341 E HN 0.745 nan 8.360 nan 0.000 0.491 342 T N -0.439 114.103 114.554 -0.021 0.000 2.876 342 T HA 0.435 4.784 4.350 -0.001 0.000 0.289 342 T C -2.876 171.837 174.700 0.021 0.000 1.014 342 T CA -2.535 59.566 62.100 0.001 0.000 0.986 342 T CB 1.958 70.831 68.868 0.009 0.000 1.021 342 T HN -0.305 nan 8.240 nan 0.000 0.458 343 P HA 0.169 nan 4.420 nan 0.000 0.265 343 P C -0.587 176.772 177.300 0.099 0.000 1.193 343 P CA -0.474 62.657 63.100 0.051 0.000 0.765 343 P CB 0.083 31.795 31.700 0.020 0.000 0.823 344 F N 4.303 124.250 119.950 -0.006 0.000 2.557 344 F HA 0.076 4.602 4.527 -0.002 0.000 0.384 344 F C 0.747 176.562 175.800 0.026 0.000 1.057 344 F CA -0.281 57.732 58.000 0.022 0.000 1.169 344 F CB 0.020 39.059 39.000 0.065 0.000 1.070 344 F HN 0.192 nan 8.300 nan 0.000 0.554 345 R N 5.013 125.263 120.500 -0.418 0.000 2.351 345 R HA 0.427 4.766 4.340 -0.001 0.000 0.318 345 R C -1.180 174.822 176.300 -0.496 0.000 1.055 345 R CA -0.159 55.720 56.100 -0.369 0.000 0.968 345 R CB 0.526 30.697 30.300 -0.216 0.000 0.974 345 R HN 0.472 nan 8.270 nan 0.000 0.439 346 V N 3.514 123.262 119.914 -0.277 0.000 2.623 346 V HA 0.274 4.393 4.120 -0.001 0.000 0.304 346 V C -0.575 175.475 176.094 -0.072 0.000 1.054 346 V CA -0.845 61.351 62.300 -0.174 0.000 0.882 346 V CB 2.046 33.816 31.823 -0.088 0.000 1.002 346 V HN 0.765 nan 8.190 nan 0.000 0.424 347 E N 3.114 123.287 120.200 -0.046 0.000 2.256 347 E HA 0.670 5.019 4.350 -0.001 0.000 0.268 347 E C 0.215 176.821 176.600 0.009 0.000 0.877 347 E CA -0.553 55.838 56.400 -0.015 0.000 0.757 347 E CB 2.117 31.802 29.700 -0.025 0.000 1.183 347 E HN 1.129 nan 8.360 nan 0.000 0.418 348 A N 2.650 125.487 122.820 0.029 0.000 2.745 348 A HA -0.187 4.133 4.320 -0.001 0.000 0.296 348 A C 1.302 178.916 177.584 0.050 0.000 1.500 348 A CA 1.245 53.305 52.037 0.038 0.000 0.766 348 A CB -2.277 16.736 19.000 0.022 0.000 1.030 348 A HN 1.537 nan 8.150 nan 0.000 0.489 349 G N -2.684 106.159 108.800 0.072 0.000 2.162 349 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.260 349 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.260 349 G C -0.185 174.750 174.900 0.058 0.000 0.976 349 G CA 0.892 46.043 45.100 0.085 0.000 0.655 349 G HN 1.583 nan 8.290 nan 0.000 0.533 350 Q N 0.023 119.841 119.800 0.029 0.000 2.340 350 Q HA 0.604 4.943 4.340 -0.001 0.000 0.268 350 Q C 0.093 176.078 176.000 -0.024 0.000 1.031 350 Q CA -0.833 54.975 55.803 0.008 0.000 0.804 350 Q CB 2.473 31.209 28.738 -0.004 0.000 1.286 350 Q HN 0.206 nan 8.270 nan 0.000 0.448 351 V N 3.347 123.251 119.914 -0.018 0.000 2.572 351 V HA 0.097 4.216 4.120 -0.001 0.000 0.291 351 V C 0.434 176.466 176.094 -0.103 0.000 1.039 351 V CA -0.177 62.075 62.300 -0.079 0.000 1.055 351 V CB 0.434 32.306 31.823 0.082 0.000 0.969 351 V HN 0.564 nan 8.190 nan 0.000 0.482 352 I N 5.383 125.840 120.570 -0.189 0.000 2.342 352 I HA 0.225 4.395 4.170 -0.001 0.000 0.291 352 I C 0.231 176.283 176.117 -0.109 0.000 1.010 352 I CA -0.388 60.835 61.300 -0.129 0.000 1.308 352 I CB 1.246 39.171 38.000 -0.125 0.000 1.400 352 I HN 0.230 nan 8.210 nan 0.000 0.488 353 V N 9.466 129.330 119.914 -0.083 0.000 2.439 353 V HA 0.143 4.262 4.120 -0.001 0.000 0.271 353 V C -1.888 174.197 176.094 -0.015 0.000 1.040 353 V CA -1.117 61.127 62.300 -0.094 0.000 1.002 353 V CB 0.485 32.212 31.823 -0.160 0.000 1.000 353 V HN 0.622 nan 8.190 nan 0.000 0.477 354 P HA 0.250 nan 4.420 nan 0.000 0.274 354 P C -0.130 177.379 177.300 0.348 0.000 1.231 354 P CA -0.204 62.984 63.100 0.147 0.000 0.790 354 P CB 0.736 32.550 31.700 0.191 0.000 0.951 355 D N 0.245 120.823 120.400 0.297 0.000 2.469 355 D HA 0.125 4.765 4.640 -0.001 0.000 0.213 355 D C 1.158 177.558 176.300 0.167 0.000 1.135 355 D CA 0.165 54.384 54.000 0.365 0.000 0.834 355 D CB 0.413 41.411 40.800 0.331 0.000 1.009 355 D HN 0.421 nan 8.370 nan 0.000 0.507 356 G N 1.687 110.567 108.800 0.133 0.000 2.653 356 G HA2 0.310 4.270 3.960 -0.001 0.000 0.265 356 G HA3 0.310 4.270 3.960 -0.001 0.000 0.265 356 G C -2.524 172.382 174.900 0.011 0.000 1.237 356 G CA -0.759 44.379 45.100 0.064 0.000 0.946 356 G HN -0.116 nan 8.290 nan 0.000 0.522 357 P HA 0.264 nan 4.420 nan 0.000 0.268 357 P C 0.991 178.256 177.300 -0.058 0.000 1.205 357 P CA 1.315 64.384 63.100 -0.053 0.000 0.771 357 P CB 0.732 32.414 31.700 -0.030 0.000 0.858 358 G N 1.942 110.672 108.800 -0.117 0.000 2.566 358 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.280 358 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.280 358 G C 0.831 175.606 174.900 -0.209 0.000 1.225 358 G CA 0.178 45.196 45.100 -0.137 0.000 0.966 358 G HN 0.486 nan 8.290 nan 0.000 0.560 359 L N 1.711 122.859 121.223 -0.126 0.000 2.376 359 L HA 0.275 4.614 4.340 -0.001 0.000 0.219 359 L C 2.575 179.559 176.870 0.189 0.000 1.133 359 L CA 1.503 56.296 54.840 -0.078 0.000 0.816 359 L CB -0.521 41.550 42.059 0.019 0.000 0.933 359 L HN 2.027 nan 8.230 nan 0.000 0.449 360 G N -0.672 108.202 108.800 0.123 0.000 2.179 360 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.220 360 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.220 360 G C 0.127 175.090 174.900 0.104 0.000 0.990 360 G CA -0.095 45.097 45.100 0.154 0.000 0.646 360 G HN 0.656 nan 8.290 nan 0.000 0.517 361 A N -0.732 122.134 122.820 0.076 0.000 2.594 361 A HA 0.811 5.130 4.320 -0.001 0.000 0.296 361 A C -0.422 177.147 177.584 -0.024 0.000 1.056 361 A CA -0.421 51.634 52.037 0.030 0.000 0.693 361 A CB 1.005 20.030 19.000 0.041 0.000 1.278 361 A HN 0.526 nan 8.150 nan 0.000 0.408 362 R N 0.500 120.954 120.500 -0.076 0.000 2.598 362 R HA 0.716 5.055 4.340 -0.001 0.000 0.279 362 R C 0.229 176.280 176.300 -0.415 0.000 0.984 362 R CA -0.222 55.755 56.100 -0.205 0.000 0.999 362 R CB 1.889 32.141 30.300 -0.081 0.000 1.114 362 R HN 0.975 nan 8.270 nan 0.000 0.493 363 A N 1.150 123.418 122.820 -0.921 0.000 2.340 363 A HA 0.095 4.414 4.320 -0.001 0.000 0.268 363 A C -0.561 176.696 177.584 -0.545 0.000 1.100 363 A CA -0.373 51.183 52.037 -0.801 0.000 0.803 363 A CB 0.480 18.773 19.000 -1.179 0.000 1.043 363 A HN 0.717 nan 8.150 nan 0.000 0.488 364 D N 2.305 122.506 120.400 -0.332 0.000 2.339 364 D HA 0.375 5.014 4.640 -0.001 0.000 0.241 364 D C -1.734 174.439 176.300 -0.211 0.000 1.183 364 D CA -1.570 52.307 54.000 -0.205 0.000 0.859 364 D CB 1.081 41.808 40.800 -0.121 0.000 1.067 364 D HN 0.128 nan 8.370 nan 0.000 0.484 365 P HA -0.191 nan 4.420 nan 0.000 0.216 365 P C 0.763 178.010 177.300 -0.088 0.000 1.153 365 P CA 1.284 64.309 63.100 -0.125 0.000 0.858 365 P CB 0.201 31.905 31.700 0.007 0.000 0.789 366 E N -0.201 119.968 120.200 -0.052 0.000 2.077 366 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 366 E C 1.909 178.494 176.600 -0.025 0.000 0.989 366 E CA 1.122 57.503 56.400 -0.032 0.000 0.800 366 E CB -0.348 29.324 29.700 -0.047 0.000 0.746 366 E HN 0.366 nan 8.360 nan 0.000 0.452 367 K N 0.574 120.958 120.400 -0.027 0.000 2.097 367 K HA -0.077 4.242 4.320 -0.001 0.000 0.205 367 K C 2.247 178.894 176.600 0.078 0.000 1.050 367 K CA 0.772 57.106 56.287 0.077 0.000 0.938 367 K CB -0.077 32.491 32.500 0.113 0.000 0.718 367 K HN 0.131 nan 8.250 nan 0.000 0.442 368 L N 0.639 121.785 121.223 -0.129 0.000 2.093 368 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 368 L C 2.429 179.245 176.870 -0.091 0.000 1.085 368 L CA 1.012 55.661 54.840 -0.318 0.000 0.755 368 L CB -0.272 41.188 42.059 -0.998 0.000 0.904 368 L HN 0.139 nan 8.230 nan 0.000 0.435 369 E N -0.400 119.809 120.200 0.014 0.000 2.072 369 E HA -0.225 4.124 4.350 -0.001 0.000 0.190 369 E C 2.079 178.747 176.600 0.112 0.000 0.982 369 E CA 1.136 57.632 56.400 0.161 0.000 0.803 369 E CB -0.031 29.756 29.700 0.144 0.000 0.755 369 E HN 0.409 nan 8.360 nan 0.000 0.453 370 H N -1.215 117.806 119.070 -0.081 0.000 2.326 370 H HA -0.095 4.460 4.556 -0.002 0.000 0.301 370 H C 0.988 176.167 175.328 -0.248 0.000 1.081 370 H CA 1.854 57.767 56.048 -0.224 0.000 1.334 370 H CB -0.256 29.255 29.762 -0.418 0.000 1.385 370 H HN 0.217 nan 8.280 nan 0.000 0.504 371 Y N 0.166 120.388 120.300 -0.129 0.000 2.490 371 Y HA 0.400 4.949 4.550 -0.002 0.000 0.281 371 Y C 1.180 177.033 175.900 -0.079 0.000 1.174 371 Y CA 0.237 58.229 58.100 -0.181 0.000 1.295 371 Y CB -0.400 38.002 38.460 -0.097 0.000 1.062 371 Y HN 0.260 nan 8.280 nan 0.000 0.522 372 A N 0.444 123.335 122.820 0.118 0.000 2.425 372 A HA 0.381 4.700 4.320 -0.001 0.000 0.249 372 A C 1.195 178.793 177.584 0.023 0.000 1.084 372 A CA 0.212 52.338 52.037 0.148 0.000 0.781 372 A CB 0.318 19.497 19.000 0.298 0.000 1.019 372 A HN 0.289 nan 8.150 nan 0.000 0.490 373 V N -0.407 119.470 119.914 -0.061 0.000 3.605 373 V HA 0.470 4.589 4.120 -0.001 0.000 0.284 373 V C 0.516 176.522 176.094 -0.146 0.000 1.386 373 V CA 0.620 62.829 62.300 -0.153 0.000 1.053 373 V CB -0.939 30.705 31.823 -0.298 0.000 0.857 373 V HN 0.892 nan 8.190 nan 0.000 0.436 374 R N 1.052 121.502 120.500 -0.083 0.000 2.634 374 R HA 0.679 5.019 4.340 -0.001 0.000 0.263 374 R C -1.418 174.910 176.300 0.048 0.000 1.060 374 R CA -0.450 55.605 56.100 -0.075 0.000 0.898 374 R CB 1.966 32.142 30.300 -0.206 0.000 1.253 374 R HN 0.586 nan 8.270 nan 0.000 0.461 375 R N 0.000 120.519 120.500 0.031 0.000 2.786 375 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 375 R CA 0.000 56.111 56.100 0.019 0.000 0.921 375 R CB 0.000 30.264 30.300 -0.061 0.000 0.687 375 R HN 0.000 nan 8.270 nan 0.000 0.535