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 2omv_1_A DATA FIRST_RESID 36 DATA SEQUENCE ATITQDTPIN QIFTDTALAE KMKTVLGKTN VTDTVSQTDL DQVTTLQADR DATA SEQUENCE LGIKSIDGVE YLNNLTQINF SNNQLTDITP LKNLTKLVDI LMNNNQIADI DATA SEQUENCE TPLANLTNLT GLTLFNNQIT DIDPLKNLTN LNRLELSSNT ISDISALSGL DATA SEQUENCE TSLQQLNFGN QVTDLKPLAN LTTLERLDIS SNKVSDISVL AKLTNLESLI DATA SEQUENCE ATNNQISDIT PLGILTNLDE LSLNGNQLKD IGTLASLTNL TDLDLANNQI DATA SEQUENCE SNLAPLSGLT KLTELKLGAN QISNISPLAG LTALTNLELN ENQLEDISPI DATA SEQUENCE SNLKNLTYLT LYFNNISDIS PVSSLTKLQR LFFSNNKVSD VSSLANLTNI DATA SEQUENCE NWLSAGHNQI SDLTPLANLT RITQLGLNDQ AWTNAPVNYK ANVSIPNTVK DATA SEQUENCE NVTGALIAPA TISDGGSYTE PDITWNLPSY TNEVSYTFSQ PVTIGKGTTT DATA SEQUENCE FSGTVTQPLK A 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 36 A HA 0.000 nan 4.320 nan 0.000 0.244 36 A C 0.000 177.572 177.584 -0.020 0.000 1.274 36 A CA 0.000 51.894 52.037 -0.239 0.000 0.836 36 A CB 0.000 18.652 19.000 -0.580 0.000 0.831 37 T N 2.787 117.461 114.554 0.201 0.000 2.991 37 T HA 0.609 4.959 4.350 0.000 0.000 0.303 37 T C -0.256 174.594 174.700 0.251 0.000 1.015 37 T CA -0.314 61.950 62.100 0.274 0.000 1.007 37 T CB 0.286 69.225 68.868 0.117 0.000 1.034 37 T HN 1.507 nan 8.240 nan 0.000 0.446 38 I N 3.620 124.257 120.570 0.112 0.000 2.496 38 I HA 0.460 4.630 4.170 0.000 0.000 0.285 38 I C 1.140 177.248 176.117 -0.015 0.000 1.080 38 I CA -0.393 60.865 61.300 -0.069 0.000 1.404 38 I CB 1.200 39.034 38.000 -0.278 0.000 1.403 38 I HN 0.728 nan 8.210 nan 0.000 0.539 39 T N 1.485 116.031 114.554 -0.014 0.000 3.069 39 T HA 0.238 4.589 4.350 0.000 0.000 0.252 39 T C 0.329 175.020 174.700 -0.014 0.000 1.053 39 T CA -0.087 62.011 62.100 -0.003 0.000 0.964 39 T CB -0.210 68.663 68.868 0.008 0.000 1.005 39 T HN 0.868 nan 8.240 nan 0.000 0.532 40 Q N -0.240 119.542 119.800 -0.030 0.000 2.418 40 Q HA 0.521 4.861 4.340 0.000 0.000 0.282 40 Q C -2.109 173.866 176.000 -0.041 0.000 1.044 40 Q CA -1.126 54.660 55.803 -0.029 0.000 0.813 40 Q CB 0.696 29.417 28.738 -0.027 0.000 1.428 40 Q HN -0.150 nan 8.270 nan 0.000 0.402 41 D N 2.190 122.571 120.400 -0.030 0.000 2.426 41 D HA 0.146 4.786 4.640 0.000 0.000 0.261 41 D C -0.670 175.605 176.300 -0.041 0.000 1.245 41 D CA 0.690 54.672 54.000 -0.031 0.000 0.917 41 D CB 0.585 41.374 40.800 -0.018 0.000 1.123 41 D HN 0.463 nan 8.370 nan 0.000 0.508 42 T N 3.424 117.943 114.554 -0.058 0.000 2.807 42 T HA 0.402 4.752 4.350 0.000 0.000 0.279 42 T C -2.494 172.178 174.700 -0.046 0.000 0.993 42 T CA -1.731 60.326 62.100 -0.071 0.000 0.970 42 T CB 1.902 70.689 68.868 -0.136 0.000 0.950 42 T HN 0.010 nan 8.240 nan 0.000 0.441 43 P HA 0.134 nan 4.420 nan 0.000 0.262 43 P C 0.919 178.225 177.300 0.011 0.000 1.182 43 P CA 0.077 63.175 63.100 -0.004 0.000 0.761 43 P CB 0.309 32.007 31.700 -0.004 0.000 0.795 44 I N 2.613 123.218 120.570 0.058 0.000 2.145 44 I HA -0.353 3.818 4.170 0.000 0.000 0.244 44 I C 1.976 178.204 176.117 0.183 0.000 1.075 44 I CA 1.998 63.391 61.300 0.156 0.000 1.332 44 I CB -0.594 37.501 38.000 0.159 0.000 1.033 44 I HN 0.478 nan 8.210 nan 0.000 0.410 45 N N 0.924 119.691 118.700 0.112 0.000 2.571 45 N HA -0.186 4.554 4.740 0.000 0.000 0.189 45 N C 1.385 176.923 175.510 0.046 0.000 1.154 45 N CA 0.968 54.078 53.050 0.100 0.000 0.907 45 N CB -0.430 38.098 38.487 0.069 0.000 0.977 45 N HN 0.545 nan 8.380 nan 0.000 0.449 46 Q N -0.443 119.358 119.800 0.002 0.000 2.408 46 Q HA 0.279 4.619 4.340 0.000 0.000 0.205 46 Q C 1.424 177.354 176.000 -0.116 0.000 0.919 46 Q CA 0.304 56.081 55.803 -0.044 0.000 0.932 46 Q CB 0.352 29.060 28.738 -0.051 0.000 1.058 46 Q HN 0.456 nan 8.270 nan 0.000 0.517 47 I N -1.033 119.423 120.570 -0.189 0.000 2.512 47 I HA -0.028 4.142 4.170 0.000 0.000 0.247 47 I C 0.025 175.837 176.117 -0.509 0.000 1.094 47 I CA 0.476 61.495 61.300 -0.468 0.000 1.427 47 I CB 0.397 37.954 38.000 -0.737 0.000 1.149 47 I HN -0.038 nan 8.210 nan 0.000 0.438 48 F N 1.713 121.675 119.950 0.020 0.000 2.303 48 F HA 0.187 4.714 4.527 0.000 0.000 0.368 48 F C 1.607 177.422 175.800 0.024 0.000 1.105 48 F CA -0.652 57.371 58.000 0.038 0.000 1.153 48 F CB 0.437 39.465 39.000 0.047 0.000 1.362 48 F HN -0.050 nan 8.300 nan 0.000 0.511 49 T N -2.560 112.067 114.554 0.121 0.000 2.951 49 T HA -0.126 4.224 4.350 0.000 0.000 0.268 49 T C 0.631 175.380 174.700 0.082 0.000 1.073 49 T CA 0.260 62.406 62.100 0.075 0.000 1.134 49 T CB -0.104 68.785 68.868 0.035 0.000 0.884 49 T HN 0.466 nan 8.240 nan 0.000 0.479 50 D N 1.446 121.907 120.400 0.102 0.000 2.417 50 D HA 0.040 4.680 4.640 0.000 0.000 0.250 50 D C 0.734 177.085 176.300 0.085 0.000 1.166 50 D CA 0.181 54.230 54.000 0.081 0.000 0.881 50 D CB 1.532 42.381 40.800 0.081 0.000 1.164 50 D HN 0.123 nan 8.370 nan 0.000 0.467 51 T N 3.582 118.171 114.554 0.058 0.000 2.684 51 T HA -0.173 4.177 4.350 0.000 0.000 0.267 51 T C 1.794 176.520 174.700 0.044 0.000 1.036 51 T CA 1.746 63.875 62.100 0.048 0.000 1.148 51 T CB -0.134 68.754 68.868 0.034 0.000 0.863 51 T HN 0.626 nan 8.240 nan 0.000 0.436 52 A N 1.040 123.886 122.820 0.043 0.000 1.902 52 A HA 0.010 4.330 4.320 0.000 0.000 0.217 52 A C 2.250 179.855 177.584 0.035 0.000 1.181 52 A CA 1.240 53.298 52.037 0.036 0.000 0.623 52 A CB -0.786 18.239 19.000 0.041 0.000 0.818 52 A HN 0.387 nan 8.150 nan 0.000 0.443 53 L N -0.312 120.948 121.223 0.061 0.000 2.093 53 L HA 0.007 4.347 4.340 0.000 0.000 0.208 53 L C 2.682 179.526 176.870 -0.043 0.000 1.085 53 L CA 1.958 56.824 54.840 0.042 0.000 0.755 53 L CB -0.833 41.303 42.059 0.128 0.000 0.904 53 L HN 0.350 nan 8.230 nan 0.000 0.435 54 A N -0.797 122.052 122.820 0.049 0.000 1.908 54 A HA -0.190 4.131 4.320 0.000 0.000 0.218 54 A C 2.129 179.705 177.584 -0.013 0.000 1.181 54 A CA 1.711 53.781 52.037 0.054 0.000 0.627 54 A CB -0.536 18.534 19.000 0.118 0.000 0.818 54 A HN 0.515 nan 8.150 nan 0.000 0.445 55 E N -0.134 120.061 120.200 -0.007 0.000 2.077 55 E HA -0.209 4.141 4.350 0.000 0.000 0.193 55 E C 1.994 178.566 176.600 -0.047 0.000 0.989 55 E CA 1.656 58.045 56.400 -0.018 0.000 0.800 55 E CB -0.283 29.413 29.700 -0.006 0.000 0.746 55 E HN 0.629 nan 8.360 nan 0.000 0.452 56 K N 0.637 120.996 120.400 -0.067 0.000 2.026 56 K HA -0.082 4.239 4.320 0.000 0.000 0.208 56 K C 1.967 178.481 176.600 -0.144 0.000 1.048 56 K CA 1.146 57.376 56.287 -0.095 0.000 0.929 56 K CB -0.182 32.264 32.500 -0.091 0.000 0.713 56 K HN -0.053 nan 8.250 nan 0.000 0.439 57 M N 1.351 120.809 119.600 -0.237 0.000 2.159 57 M HA -0.092 4.388 4.480 0.000 0.000 0.263 57 M C 2.026 178.233 176.300 -0.155 0.000 1.063 57 M CA 1.563 56.668 55.300 -0.326 0.000 1.110 57 M CB -0.980 31.139 32.600 -0.801 0.000 1.374 57 M HN 0.280 nan 8.290 nan 0.000 0.411 58 K N 0.016 120.360 120.400 -0.093 0.000 2.009 58 K HA -0.167 4.153 4.320 0.000 0.000 0.210 58 K C 1.729 178.306 176.600 -0.038 0.000 1.049 58 K CA 2.110 58.375 56.287 -0.037 0.000 0.929 58 K CB -0.120 32.370 32.500 -0.017 0.000 0.714 58 K HN 0.267 nan 8.250 nan 0.000 0.440 59 T N 1.105 115.630 114.554 -0.048 0.000 2.708 59 T HA -0.113 4.237 4.350 0.000 0.000 0.266 59 T C 1.983 176.656 174.700 -0.045 0.000 1.037 59 T CA 1.504 63.579 62.100 -0.041 0.000 1.146 59 T CB -0.268 68.574 68.868 -0.043 0.000 0.865 59 T HN 0.032 nan 8.240 nan 0.000 0.435 60 V N 1.482 121.357 119.914 -0.065 0.000 2.332 60 V HA -0.096 4.024 4.120 0.000 0.000 0.248 60 V C 2.175 178.247 176.094 -0.037 0.000 1.055 60 V CA 1.503 63.766 62.300 -0.061 0.000 1.038 60 V CB -0.604 31.165 31.823 -0.090 0.000 0.651 60 V HN 0.458 nan 8.190 nan 0.000 0.450 61 L N 0.278 121.481 121.223 -0.033 0.000 2.612 61 L HA 0.318 4.658 4.340 0.000 0.000 0.230 61 L C 1.618 178.486 176.870 -0.003 0.000 1.140 61 L CA 0.706 55.542 54.840 -0.006 0.000 0.896 61 L CB -0.599 41.467 42.059 0.012 0.000 1.065 61 L HN 0.504 nan 8.230 nan 0.000 0.447 62 G N 0.139 108.932 108.800 -0.011 0.000 2.198 62 G HA2 -0.246 3.714 3.960 0.000 0.000 0.260 62 G HA3 -0.246 3.714 3.960 0.000 0.000 0.260 62 G C 0.321 175.219 174.900 -0.003 0.000 1.025 62 G CA 0.123 45.219 45.100 -0.007 0.000 0.769 62 G HN 0.197 nan 8.290 nan 0.000 0.507 63 K N -0.822 119.576 120.400 -0.003 0.000 2.148 63 K HA 0.650 4.970 4.320 0.000 0.000 0.239 63 K C 1.381 177.980 176.600 -0.001 0.000 1.018 63 K CA -0.011 56.276 56.287 0.001 0.000 0.923 63 K CB 0.736 33.240 32.500 0.008 0.000 1.117 63 K HN 0.058 nan 8.250 nan 0.000 0.477 64 T N -0.050 114.504 114.554 0.001 0.000 3.042 64 T HA 0.079 4.429 4.350 0.000 0.000 0.245 64 T C 0.160 174.861 174.700 0.002 0.000 1.029 64 T CA 0.509 62.609 62.100 0.000 0.000 1.120 64 T CB 0.106 68.974 68.868 0.001 0.000 0.917 64 T HN 0.501 nan 8.240 nan 0.000 0.467 65 N N 0.334 119.037 118.700 0.005 0.000 2.229 65 N HA 0.367 5.107 4.740 0.000 0.000 0.298 65 N C 0.900 176.418 175.510 0.013 0.000 1.114 65 N CA -0.449 52.606 53.050 0.008 0.000 0.776 65 N CB 2.808 41.299 38.487 0.008 0.000 1.501 65 N HN -0.084 nan 8.380 nan 0.000 0.474 66 V N -1.552 118.372 119.914 0.017 0.000 2.720 66 V HA -0.188 3.933 4.120 0.000 0.000 0.256 66 V C 1.671 177.786 176.094 0.035 0.000 1.082 66 V CA 1.978 64.295 62.300 0.030 0.000 1.101 66 V CB -1.382 30.461 31.823 0.033 0.000 0.693 66 V HN 0.891 nan 8.190 nan 0.000 0.479 67 T N -3.115 111.453 114.554 0.024 0.000 3.088 67 T HA 0.051 4.401 4.350 0.000 0.000 0.259 67 T C 0.467 175.176 174.700 0.015 0.000 1.122 67 T CA 0.078 62.189 62.100 0.019 0.000 1.095 67 T CB -0.607 68.268 68.868 0.012 0.000 0.930 67 T HN 0.488 nan 8.240 nan 0.000 0.508 68 D N 2.805 123.215 120.400 0.017 0.000 2.506 68 D HA 0.137 4.777 4.640 0.000 0.000 0.234 68 D C 0.361 176.670 176.300 0.016 0.000 1.143 68 D CA 0.612 54.620 54.000 0.014 0.000 0.871 68 D CB 0.828 41.636 40.800 0.013 0.000 1.190 68 D HN 0.214 nan 8.370 nan 0.000 0.459 69 T N 0.065 114.624 114.554 0.008 0.000 2.913 69 T HA 0.530 4.880 4.350 0.000 0.000 0.287 69 T C -0.283 174.421 174.700 0.007 0.000 1.008 69 T CA -0.623 61.479 62.100 0.003 0.000 1.067 69 T CB 0.542 69.406 68.868 -0.006 0.000 0.996 69 T HN 0.224 nan 8.240 nan 0.000 0.513 70 V N 1.559 121.474 119.914 0.003 0.000 3.130 70 V HA 0.946 5.066 4.120 0.000 0.000 0.310 70 V C -0.268 175.820 176.094 -0.010 0.000 1.158 70 V CA -0.797 61.508 62.300 0.009 0.000 1.029 70 V CB 1.588 33.435 31.823 0.039 0.000 1.057 70 V HN 1.085 nan 8.190 nan 0.000 0.436 71 S N 0.676 116.375 115.700 -0.002 0.000 2.739 71 S HA 0.512 4.982 4.470 0.000 0.000 0.306 71 S C 0.652 175.253 174.600 0.003 0.000 1.115 71 S CA -0.121 58.074 58.200 -0.008 0.000 0.985 71 S CB 1.791 64.991 63.200 0.000 0.000 1.133 71 S HN 0.927 nan 8.310 nan 0.000 0.541 72 Q N 0.903 120.706 119.800 0.005 0.000 2.096 72 Q HA -0.065 4.275 4.340 0.000 0.000 0.204 72 Q C 1.892 177.917 176.000 0.042 0.000 0.982 72 Q CA 2.665 58.488 55.803 0.033 0.000 0.850 72 Q CB -1.426 27.337 28.738 0.043 0.000 0.901 72 Q HN 0.910 nan 8.270 nan 0.000 0.422 73 T N 1.173 115.745 114.554 0.030 0.000 2.665 73 T HA -0.181 4.170 4.350 0.000 0.000 0.268 73 T C 1.140 175.860 174.700 0.034 0.000 1.035 73 T CA 1.505 63.623 62.100 0.029 0.000 1.151 73 T CB -0.487 68.393 68.868 0.021 0.000 0.862 73 T HN 0.414 nan 8.240 nan 0.000 0.438 74 D N 1.340 121.760 120.400 0.033 0.000 2.104 74 D HA -0.053 4.587 4.640 0.000 0.000 0.194 74 D C 2.211 178.546 176.300 0.057 0.000 0.994 74 D CA 0.950 54.973 54.000 0.038 0.000 0.830 74 D CB -0.415 40.407 40.800 0.037 0.000 0.959 74 D HN 0.340 nan 8.370 nan 0.000 0.452 75 L N 0.868 122.136 121.223 0.076 0.000 2.093 75 L HA -0.146 4.194 4.340 0.000 0.000 0.208 75 L C 1.910 178.841 176.870 0.102 0.000 1.085 75 L CA 0.863 55.773 54.840 0.115 0.000 0.755 75 L CB -0.377 41.770 42.059 0.148 0.000 0.904 75 L HN -0.135 nan 8.230 nan 0.000 0.435 76 D N -0.269 120.178 120.400 0.078 0.000 2.265 76 D HA -0.159 4.481 4.640 0.000 0.000 0.208 76 D C 2.222 178.553 176.300 0.051 0.000 0.977 76 D CA 0.817 54.856 54.000 0.064 0.000 0.871 76 D CB -0.024 40.806 40.800 0.050 0.000 0.925 76 D HN 0.285 nan 8.370 nan 0.000 0.485 77 Q N -0.179 119.649 119.800 0.047 0.000 2.432 77 Q HA 0.057 4.397 4.340 0.000 0.000 0.205 77 Q C 0.253 176.273 176.000 0.033 0.000 0.945 77 Q CA 0.105 55.928 55.803 0.034 0.000 0.924 77 Q CB 0.276 29.030 28.738 0.026 0.000 1.016 77 Q HN 0.145 nan 8.270 nan 0.000 0.503 78 V N 2.646 122.587 119.914 0.046 0.000 2.387 78 V HA 0.064 4.184 4.120 0.000 0.000 0.260 78 V C 1.312 177.431 176.094 0.042 0.000 1.054 78 V CA 0.703 63.027 62.300 0.041 0.000 0.967 78 V CB 0.742 32.599 31.823 0.056 0.000 1.036 78 V HN 0.335 nan 8.190 nan 0.000 0.481 79 T N -0.180 114.389 114.554 0.026 0.000 2.971 79 T HA 0.153 4.503 4.350 0.000 0.000 0.252 79 T C 0.671 175.380 174.700 0.016 0.000 1.022 79 T CA 0.382 62.496 62.100 0.025 0.000 0.980 79 T CB 0.640 69.519 68.868 0.018 0.000 1.044 79 T HN 0.582 nan 8.240 nan 0.000 0.501 80 T N 1.032 115.587 114.554 0.001 0.000 2.916 80 T HA 0.656 5.006 4.350 0.000 0.000 0.298 80 T C -2.316 172.356 174.700 -0.047 0.000 1.031 80 T CA -0.689 61.399 62.100 -0.020 0.000 0.993 80 T CB 1.632 70.486 68.868 -0.023 0.000 1.045 80 T HN 0.199 nan 8.240 nan 0.000 0.454 81 L N 4.797 125.967 121.223 -0.088 0.000 2.482 81 L HA 0.551 4.892 4.340 0.000 0.000 0.269 81 L C -1.295 175.418 176.870 -0.262 0.000 0.967 81 L CA -0.316 54.424 54.840 -0.167 0.000 0.851 81 L CB 2.041 43.999 42.059 -0.168 0.000 1.242 81 L HN 0.571 nan 8.230 nan 0.000 0.404 82 Q N 5.137 124.801 119.800 -0.226 0.000 2.509 82 Q HA 0.609 4.949 4.340 0.000 0.000 0.236 82 Q C -0.018 175.821 176.000 -0.268 0.000 1.073 82 Q CA -0.039 55.627 55.803 -0.228 0.000 0.867 82 Q CB 1.558 30.215 28.738 -0.135 0.000 1.181 82 Q HN 0.670 nan 8.270 nan 0.000 0.526 83 A N 2.566 125.131 122.820 -0.425 0.000 2.749 83 A HA 0.166 4.486 4.320 0.000 0.000 0.299 83 A C -0.009 177.436 177.584 -0.232 0.000 1.105 83 A CA -0.627 51.186 52.037 -0.374 0.000 0.987 83 A CB 0.096 18.760 19.000 -0.560 0.000 1.180 83 A HN 0.542 nan 8.150 nan 0.000 0.528 84 D N -0.375 119.924 120.400 -0.168 0.000 2.339 84 D HA 0.219 4.860 4.640 0.000 0.000 0.245 84 D C 0.166 176.446 176.300 -0.035 0.000 1.115 84 D CA -0.308 53.647 54.000 -0.074 0.000 0.917 84 D CB 0.483 41.242 40.800 -0.068 0.000 1.192 84 D HN 0.261 nan 8.370 nan 0.000 0.428 85 R N -0.152 120.346 120.500 -0.004 0.000 3.656 85 R HA -0.154 4.186 4.340 0.000 0.000 0.297 85 R C 0.271 176.574 176.300 0.006 0.000 1.166 85 R CA 0.336 56.438 56.100 0.002 0.000 0.799 85 R CB -1.998 28.299 30.300 -0.005 0.000 1.285 85 R HN 0.554 nan 8.270 nan 0.000 0.477 86 L N -0.828 120.406 121.223 0.019 0.000 2.808 86 L HA 0.233 4.573 4.340 0.000 0.000 0.246 86 L C 1.394 178.283 176.870 0.032 0.000 1.153 86 L CA 0.514 55.367 54.840 0.021 0.000 0.956 86 L CB 0.926 42.996 42.059 0.019 0.000 1.270 86 L HN 0.503 nan 8.230 nan 0.000 0.528 87 G N 1.698 110.519 108.800 0.035 0.000 2.273 87 G HA2 -0.293 3.667 3.960 0.000 0.000 0.280 87 G HA3 -0.293 3.667 3.960 0.000 0.000 0.280 87 G C 0.151 175.076 174.900 0.042 0.000 1.047 87 G CA -0.001 45.119 45.100 0.033 0.000 0.869 87 G HN 0.328 nan 8.290 nan 0.000 0.502 88 I N -0.545 120.063 120.570 0.064 0.000 2.496 88 I HA 0.201 4.372 4.170 0.000 0.000 0.285 88 I C 1.446 177.588 176.117 0.040 0.000 1.080 88 I CA 0.101 61.444 61.300 0.072 0.000 1.404 88 I CB 1.115 39.197 38.000 0.137 0.000 1.403 88 I HN 0.098 nan 8.210 nan 0.000 0.539 89 K N 2.863 123.277 120.400 0.024 0.000 2.367 89 K HA 0.176 4.496 4.320 0.000 0.000 0.195 89 K C 0.256 176.848 176.600 -0.014 0.000 1.060 89 K CA 0.204 56.495 56.287 0.006 0.000 1.022 89 K CB 0.699 33.204 32.500 0.009 0.000 0.894 89 K HN 0.557 nan 8.250 nan 0.000 0.540 90 S N 0.761 116.452 115.700 -0.014 0.000 2.566 90 S HA 0.309 4.779 4.470 0.000 0.000 0.273 90 S C -0.218 174.355 174.600 -0.046 0.000 1.157 90 S CA -0.889 57.291 58.200 -0.033 0.000 0.938 90 S CB 0.949 64.146 63.200 -0.005 0.000 1.087 90 S HN 0.288 nan 8.310 nan 0.000 0.474 91 I N 0.190 120.689 120.570 -0.118 0.000 3.891 91 I HA 0.459 4.629 4.170 0.000 0.000 0.331 91 I C -0.388 175.721 176.117 -0.015 0.000 1.406 91 I CA -0.569 60.642 61.300 -0.148 0.000 1.139 91 I CB -0.285 37.435 38.000 -0.467 0.000 1.056 91 I HN 0.322 nan 8.210 nan 0.000 0.399 92 D N 3.162 123.565 120.400 0.005 0.000 2.583 92 D HA 0.212 4.852 4.640 0.000 0.000 0.232 92 D C 1.379 177.705 176.300 0.043 0.000 1.128 92 D CA 1.885 55.892 54.000 0.012 0.000 0.859 92 D CB 1.104 41.908 40.800 0.007 0.000 1.169 92 D HN 0.603 nan 8.370 nan 0.000 0.481 93 G N 0.771 109.564 108.800 -0.011 0.000 2.259 93 G HA2 -0.335 3.625 3.960 0.000 0.000 0.217 93 G HA3 -0.335 3.625 3.960 0.000 0.000 0.217 93 G C 1.183 176.111 174.900 0.047 0.000 1.001 93 G CA 0.346 45.341 45.100 -0.174 0.000 0.627 93 G HN 0.699 nan 8.290 nan 0.000 0.501 94 V N 0.444 120.497 119.914 0.233 0.000 2.759 94 V HA 0.036 4.156 4.120 0.000 0.000 0.256 94 V C 2.537 178.712 176.094 0.135 0.000 1.080 94 V CA 2.457 64.939 62.300 0.303 0.000 1.101 94 V CB -0.252 31.706 31.823 0.226 0.000 0.698 94 V HN 0.672 nan 8.190 nan 0.000 0.477 95 E N 0.610 120.797 120.200 -0.021 0.000 2.273 95 E HA -0.292 4.058 4.350 0.000 0.000 0.198 95 E C 1.809 178.281 176.600 -0.213 0.000 1.002 95 E CA 2.049 58.348 56.400 -0.168 0.000 0.828 95 E CB -0.836 28.679 29.700 -0.309 0.000 0.747 95 E HN 0.744 nan 8.360 nan 0.000 0.491 96 Y N 0.746 121.042 120.300 -0.006 0.000 2.544 96 Y HA 0.207 4.757 4.550 0.000 0.000 0.286 96 Y C 1.440 177.375 175.900 0.058 0.000 1.141 96 Y CA 0.207 58.307 58.100 -0.001 0.000 1.299 96 Y CB 0.182 38.606 38.460 -0.060 0.000 1.030 96 Y HN -0.093 nan 8.280 nan 0.000 0.543 97 L N 1.544 122.905 121.223 0.231 0.000 2.583 97 L HA 0.098 4.438 4.340 0.000 0.000 0.239 97 L C 0.658 177.599 176.870 0.118 0.000 1.347 97 L CA -0.213 54.744 54.840 0.195 0.000 1.246 97 L CB -0.280 41.920 42.059 0.234 0.000 1.496 97 L HN 0.250 nan 8.230 nan 0.000 0.413 98 N N 0.869 119.625 118.700 0.092 0.000 2.348 98 N HA -0.155 4.586 4.740 0.000 0.000 0.185 98 N C 0.922 176.462 175.510 0.049 0.000 1.019 98 N CA 1.103 54.185 53.050 0.054 0.000 0.880 98 N CB 0.035 38.549 38.487 0.045 0.000 0.965 98 N HN 0.494 nan 8.380 nan 0.000 0.437 99 N N 0.559 119.294 118.700 0.058 0.000 2.268 99 N HA 0.120 4.860 4.740 0.000 0.000 0.204 99 N C -0.005 175.533 175.510 0.046 0.000 1.124 99 N CA -0.063 53.014 53.050 0.046 0.000 0.838 99 N CB 0.571 39.083 38.487 0.042 0.000 0.994 99 N HN 0.237 nan 8.380 nan 0.000 0.489 100 L N 1.108 122.366 121.223 0.058 0.000 2.499 100 L HA -0.002 4.338 4.340 0.000 0.000 0.273 100 L C 1.778 178.675 176.870 0.045 0.000 1.195 100 L CA 0.375 55.250 54.840 0.058 0.000 0.882 100 L CB 0.678 42.788 42.059 0.085 0.000 1.133 100 L HN 0.177 nan 8.230 nan 0.000 0.483 101 T N -0.926 113.649 114.554 0.035 0.000 2.964 101 T HA 0.170 4.520 4.350 0.000 0.000 0.249 101 T C 0.495 175.211 174.700 0.026 0.000 1.000 101 T CA -0.176 61.941 62.100 0.028 0.000 0.992 101 T CB 0.484 69.364 68.868 0.020 0.000 1.087 101 T HN 0.576 nan 8.240 nan 0.000 0.489 102 Q N 1.281 121.094 119.800 0.022 0.000 2.271 102 Q HA 0.637 4.977 4.340 0.000 0.000 0.268 102 Q C -1.375 174.625 176.000 0.000 0.000 1.021 102 Q CA -0.762 55.048 55.803 0.012 0.000 0.802 102 Q CB 2.942 31.679 28.738 -0.001 0.000 1.282 102 Q HN 0.670 nan 8.270 nan 0.000 0.431 103 I N -0.575 120.000 120.570 0.008 0.000 2.647 103 I HA 0.642 4.812 4.170 0.000 0.000 0.295 103 I C -1.076 174.995 176.117 -0.077 0.000 1.078 103 I CA -0.903 60.377 61.300 -0.033 0.000 1.048 103 I CB 2.242 40.327 38.000 0.142 0.000 1.239 103 I HN 0.327 nan 8.210 nan 0.000 0.421 104 N N 4.683 123.235 118.700 -0.246 0.000 2.483 104 N HA 0.450 5.190 4.740 0.000 0.000 0.267 104 N C -1.318 173.948 175.510 -0.407 0.000 0.998 104 N CA -0.617 52.306 53.050 -0.211 0.000 0.918 104 N CB 0.931 39.322 38.487 -0.160 0.000 1.215 104 N HN 0.688 nan 8.380 nan 0.000 0.500 105 F N 0.640 120.571 119.950 -0.032 0.000 2.764 105 F HA 0.218 4.745 4.527 0.000 0.000 0.310 105 F C 1.211 176.981 175.800 -0.050 0.000 1.124 105 F CA -0.479 57.501 58.000 -0.033 0.000 1.252 105 F CB 0.002 38.988 39.000 -0.023 0.000 1.010 105 F HN 0.305 nan 8.300 nan 0.000 0.518 106 S N 0.447 116.171 115.700 0.041 0.000 2.573 106 S HA 0.022 4.492 4.470 0.000 0.000 0.277 106 S C 0.712 175.307 174.600 -0.008 0.000 1.346 106 S CA -0.332 57.853 58.200 -0.025 0.000 1.034 106 S CB 0.229 63.383 63.200 -0.077 0.000 0.879 106 S HN 0.486 nan 8.310 nan 0.000 0.528 107 N N 1.516 120.199 118.700 -0.029 0.000 2.738 107 N HA -0.146 4.594 4.740 0.000 0.000 0.249 107 N C -0.779 174.741 175.510 0.018 0.000 1.047 107 N CA 0.747 53.792 53.050 -0.007 0.000 0.707 107 N CB -1.612 36.873 38.487 -0.004 0.000 0.937 107 N HN 0.706 nan 8.380 nan 0.000 0.545 108 N N 0.256 118.974 118.700 0.029 0.000 3.184 108 N HA 0.353 5.093 4.740 0.000 0.000 0.353 108 N C 0.081 175.606 175.510 0.025 0.000 1.441 108 N CA -0.309 52.769 53.050 0.046 0.000 0.723 108 N CB 0.416 38.963 38.487 0.099 0.000 1.547 108 N HN 0.047 nan 8.380 nan 0.000 0.624 109 Q N 0.728 120.542 119.800 0.023 0.000 2.233 109 Q HA 0.456 4.796 4.340 0.000 0.000 0.340 109 Q C -0.782 175.217 176.000 -0.002 0.000 0.899 109 Q CA -0.095 55.714 55.803 0.009 0.000 1.139 109 Q CB 0.339 29.083 28.738 0.011 0.000 1.273 109 Q HN 0.328 nan 8.270 nan 0.000 0.431 110 L N -0.302 120.915 121.223 -0.010 0.000 2.416 110 L HA 0.209 4.549 4.340 0.000 0.000 0.272 110 L C 1.136 177.988 176.870 -0.030 0.000 1.161 110 L CA 0.312 55.132 54.840 -0.034 0.000 0.845 110 L CB 0.986 43.009 42.059 -0.060 0.000 1.119 110 L HN 0.309 nan 8.230 nan 0.000 0.464 111 T N -0.517 114.016 114.554 -0.034 0.000 3.272 111 T HA 0.003 4.353 4.350 0.000 0.000 0.247 111 T C 0.077 174.756 174.700 -0.035 0.000 0.990 111 T CA -0.091 61.993 62.100 -0.027 0.000 1.213 111 T CB 0.288 69.145 68.868 -0.017 0.000 1.124 111 T HN 0.639 nan 8.240 nan 0.000 0.401 112 D N 1.710 122.086 120.400 -0.040 0.000 2.312 112 D HA 0.234 4.874 4.640 0.000 0.000 0.252 112 D C 0.779 177.039 176.300 -0.066 0.000 1.150 112 D CA -0.412 53.562 54.000 -0.045 0.000 0.870 112 D CB 0.533 41.310 40.800 -0.039 0.000 1.153 112 D HN 0.603 nan 8.370 nan 0.000 0.457 113 I N 0.194 120.725 120.570 -0.064 0.000 3.947 113 I HA 0.183 4.353 4.170 0.000 0.000 0.327 113 I C 1.071 177.147 176.117 -0.070 0.000 1.519 113 I CA -0.570 60.681 61.300 -0.082 0.000 1.122 113 I CB 0.295 38.250 38.000 -0.074 0.000 1.146 113 I HN 0.106 nan 8.210 nan 0.000 0.442 114 T N 2.574 117.093 114.554 -0.059 0.000 2.680 114 T HA -0.112 4.238 4.350 0.000 0.000 0.268 114 T C -0.524 174.138 174.700 -0.064 0.000 1.033 114 T CA 2.197 64.265 62.100 -0.054 0.000 1.152 114 T CB -1.319 67.520 68.868 -0.048 0.000 0.859 114 T HN 0.383 nan 8.240 nan 0.000 0.452 115 P HA 0.054 nan 4.420 nan 0.000 0.226 115 P C 1.088 178.349 177.300 -0.067 0.000 1.146 115 P CA 0.718 63.770 63.100 -0.080 0.000 0.773 115 P CB -0.288 31.366 31.700 -0.077 0.000 0.772 116 L N -1.042 120.146 121.223 -0.058 0.000 2.492 116 L HA 0.005 4.346 4.340 0.000 0.000 0.223 116 L C 2.390 179.243 176.870 -0.027 0.000 1.132 116 L CA 0.612 55.433 54.840 -0.032 0.000 0.850 116 L CB -0.608 41.436 42.059 -0.025 0.000 0.966 116 L HN -0.044 nan 8.230 nan 0.000 0.454 117 K N 1.442 121.819 120.400 -0.039 0.000 2.077 117 K HA -0.247 4.073 4.320 0.000 0.000 0.213 117 K C 1.045 177.627 176.600 -0.030 0.000 1.051 117 K CA 2.320 58.587 56.287 -0.034 0.000 0.929 117 K CB -0.059 32.416 32.500 -0.042 0.000 0.715 117 K HN 0.424 nan 8.250 nan 0.000 0.451 118 N N -0.233 118.443 118.700 -0.039 0.000 2.235 118 N HA 0.130 4.870 4.740 0.000 0.000 0.209 118 N C -0.755 174.742 175.510 -0.022 0.000 1.122 118 N CA -0.244 52.785 53.050 -0.035 0.000 0.845 118 N CB 0.529 38.984 38.487 -0.052 0.000 1.004 118 N HN 0.046 nan 8.380 nan 0.000 0.499 119 L N 1.687 122.903 121.223 -0.011 0.000 2.480 119 L HA 0.145 4.485 4.340 0.000 0.000 0.243 119 L C 1.344 178.221 176.870 0.012 0.000 1.315 119 L CA -0.151 54.693 54.840 0.007 0.000 1.231 119 L CB -0.389 41.684 42.059 0.024 0.000 1.444 119 L HN 0.262 nan 8.230 nan 0.000 0.409 120 T N -3.876 110.682 114.554 0.007 0.000 3.118 120 T HA -0.053 4.297 4.350 0.000 0.000 0.260 120 T C 1.409 176.116 174.700 0.013 0.000 1.139 120 T CA 0.391 62.495 62.100 0.008 0.000 1.085 120 T CB -0.062 68.808 68.868 0.003 0.000 0.934 120 T HN 0.401 nan 8.240 nan 0.000 0.518 121 K N 0.629 121.039 120.400 0.017 0.000 2.459 121 K HA 0.253 4.573 4.320 0.000 0.000 0.193 121 K C 0.426 177.040 176.600 0.023 0.000 1.030 121 K CA -0.047 56.252 56.287 0.019 0.000 1.026 121 K CB -0.137 32.376 32.500 0.021 0.000 0.809 121 K HN 0.409 nan 8.250 nan 0.000 0.504 122 L N 1.706 122.945 121.223 0.027 0.000 2.513 122 L HA -0.063 4.277 4.340 0.000 0.000 0.272 122 L C 1.141 178.027 176.870 0.026 0.000 1.187 122 L CA -0.209 54.650 54.840 0.032 0.000 0.895 122 L CB 0.834 42.917 42.059 0.039 0.000 1.147 122 L HN -0.089 nan 8.230 nan 0.000 0.483 123 V N 0.478 120.408 119.914 0.026 0.000 3.307 123 V HA 0.156 4.276 4.120 0.000 0.000 0.244 123 V C 0.273 176.382 176.094 0.025 0.000 1.196 123 V CA 0.392 62.705 62.300 0.023 0.000 1.132 123 V CB 0.411 32.245 31.823 0.019 0.000 0.875 123 V HN 0.768 nan 8.190 nan 0.000 0.468 124 D N 0.320 120.737 120.400 0.027 0.000 2.788 124 D HA 0.490 5.130 4.640 0.000 0.000 0.247 124 D C -1.535 174.786 176.300 0.035 0.000 1.236 124 D CA -0.211 53.806 54.000 0.028 0.000 0.898 124 D CB 2.372 43.184 40.800 0.021 0.000 1.401 124 D HN 0.149 nan 8.370 nan 0.000 0.549 125 I N 4.076 124.670 120.570 0.040 0.000 2.418 125 I HA 0.305 4.475 4.170 0.000 0.000 0.287 125 I C -0.392 175.748 176.117 0.037 0.000 1.008 125 I CA -0.690 60.642 61.300 0.052 0.000 1.104 125 I CB 1.994 40.030 38.000 0.060 0.000 1.264 125 I HN 0.193 nan 8.210 nan 0.000 0.438 126 L N 7.097 128.337 121.223 0.030 0.000 2.276 126 L HA 0.516 4.856 4.340 0.000 0.000 0.286 126 L C 0.173 177.046 176.870 0.004 0.000 1.024 126 L CA -0.012 54.827 54.840 -0.001 0.000 0.826 126 L CB 1.368 43.417 42.059 -0.016 0.000 1.211 126 L HN 0.737 nan 8.230 nan 0.000 0.422 127 M N 3.078 122.651 119.600 -0.046 0.000 3.056 127 M HA 0.119 4.599 4.480 0.000 0.000 0.457 127 M C -0.168 176.039 176.300 -0.154 0.000 1.407 127 M CA -0.330 54.947 55.300 -0.038 0.000 0.797 127 M CB 0.479 33.087 32.600 0.014 0.000 1.522 127 M HN 0.627 nan 8.290 nan 0.000 0.531 128 N N 0.786 119.285 118.700 -0.336 0.000 2.374 128 N HA -0.049 4.692 4.740 0.000 0.000 0.241 128 N C -0.706 174.590 175.510 -0.357 0.000 1.262 128 N CA 0.620 53.288 53.050 -0.636 0.000 0.880 128 N CB 0.200 37.736 38.487 -1.585 0.000 1.105 128 N HN 0.414 nan 8.380 nan 0.000 0.438 129 N N 0.323 118.861 118.700 -0.270 0.000 2.699 129 N HA -0.144 4.597 4.740 0.000 0.000 0.257 129 N C -1.076 174.401 175.510 -0.056 0.000 1.077 129 N CA 0.450 53.438 53.050 -0.104 0.000 0.702 129 N CB -0.747 37.699 38.487 -0.069 0.000 0.886 129 N HN 0.697 nan 8.380 nan 0.000 0.549 130 N N 0.262 118.934 118.700 -0.047 0.000 3.513 130 N HA 0.314 5.054 4.740 0.000 0.000 0.351 130 N C -0.227 175.275 175.510 -0.014 0.000 1.624 130 N CA -0.320 52.716 53.050 -0.023 0.000 0.712 130 N CB 0.584 39.056 38.487 -0.024 0.000 2.106 130 N HN 0.175 nan 8.380 nan 0.000 0.649 131 Q N 0.750 120.543 119.800 -0.012 0.000 2.215 131 Q HA 0.460 4.800 4.340 0.000 0.000 0.337 131 Q C -0.757 175.237 176.000 -0.009 0.000 0.887 131 Q CA -0.096 55.703 55.803 -0.006 0.000 1.134 131 Q CB 0.545 29.282 28.738 -0.003 0.000 1.303 131 Q HN 0.423 nan 8.270 nan 0.000 0.421 132 I N 0.306 120.869 120.570 -0.013 0.000 2.441 132 I HA 0.188 4.359 4.170 0.000 0.000 0.287 132 I C 0.863 176.977 176.117 -0.005 0.000 1.049 132 I CA -0.009 61.283 61.300 -0.014 0.000 1.381 132 I CB 1.356 39.344 38.000 -0.020 0.000 1.409 132 I HN 0.292 nan 8.210 nan 0.000 0.523 133 A N 4.009 126.826 122.820 -0.006 0.000 1.988 133 A HA 0.103 4.423 4.320 0.000 0.000 0.198 133 A C 0.648 178.230 177.584 -0.004 0.000 1.507 133 A CA 0.173 52.209 52.037 -0.001 0.000 0.901 133 A CB 0.166 19.165 19.000 -0.002 0.000 1.007 133 A HN 0.625 nan 8.150 nan 0.000 0.502 134 D N 1.038 121.433 120.400 -0.009 0.000 2.380 134 D HA 0.348 4.988 4.640 0.000 0.000 0.230 134 D C 0.639 176.931 176.300 -0.013 0.000 1.154 134 D CA -0.310 53.684 54.000 -0.011 0.000 0.859 134 D CB 0.542 41.334 40.800 -0.014 0.000 1.045 134 D HN 0.459 nan 8.370 nan 0.000 0.495 135 I N 0.856 121.420 120.570 -0.009 0.000 3.941 135 I HA 0.101 4.271 4.170 0.000 0.000 0.335 135 I C 1.551 177.662 176.117 -0.010 0.000 1.402 135 I CA -0.300 60.995 61.300 -0.009 0.000 1.112 135 I CB -0.114 37.885 38.000 -0.002 0.000 1.043 135 I HN 0.162 nan 8.210 nan 0.000 0.395 136 T N -0.108 114.439 114.554 -0.012 0.000 2.737 136 T HA -0.065 4.285 4.350 0.000 0.000 0.269 136 T C -0.377 174.314 174.700 -0.015 0.000 1.040 136 T CA 1.354 63.446 62.100 -0.013 0.000 1.142 136 T CB -2.087 66.772 68.868 -0.014 0.000 0.861 136 T HN 0.301 nan 8.240 nan 0.000 0.456 137 P HA 0.089 nan 4.420 nan 0.000 0.226 137 P C 1.208 178.498 177.300 -0.017 0.000 1.146 137 P CA 0.691 63.778 63.100 -0.023 0.000 0.773 137 P CB -0.321 31.361 31.700 -0.031 0.000 0.772 138 L N -2.021 119.196 121.223 -0.011 0.000 2.558 138 L HA 0.116 4.457 4.340 0.000 0.000 0.225 138 L C 2.258 179.126 176.870 -0.003 0.000 1.128 138 L CA 0.383 55.221 54.840 -0.004 0.000 0.868 138 L CB -0.824 41.236 42.059 0.002 0.000 1.006 138 L HN -0.049 nan 8.230 nan 0.000 0.454 139 A N 0.333 123.149 122.820 -0.007 0.000 1.986 139 A HA -0.234 4.087 4.320 0.000 0.000 0.220 139 A C 1.918 179.499 177.584 -0.005 0.000 1.171 139 A CA 1.760 53.793 52.037 -0.006 0.000 0.640 139 A CB -0.422 18.573 19.000 -0.009 0.000 0.811 139 A HN 0.488 nan 8.150 nan 0.000 0.451 140 N N -0.432 118.265 118.700 -0.006 0.000 2.234 140 N HA 0.215 4.955 4.740 0.000 0.000 0.227 140 N C -0.466 175.043 175.510 -0.002 0.000 1.151 140 N CA -0.091 52.956 53.050 -0.005 0.000 0.865 140 N CB 0.244 38.726 38.487 -0.008 0.000 1.066 140 N HN 0.373 nan 8.380 nan 0.000 0.515 141 L N 1.932 123.156 121.223 0.002 0.000 2.480 141 L HA 0.129 4.469 4.340 0.000 0.000 0.243 141 L C 1.801 178.676 176.870 0.008 0.000 1.315 141 L CA -0.099 54.745 54.840 0.006 0.000 1.231 141 L CB -0.224 41.842 42.059 0.010 0.000 1.444 141 L HN 0.081 nan 8.230 nan 0.000 0.409 142 T N -4.029 110.529 114.554 0.006 0.000 3.007 142 T HA -0.087 4.263 4.350 0.000 0.000 0.270 142 T C 1.364 176.069 174.700 0.009 0.000 1.107 142 T CA 0.629 62.733 62.100 0.007 0.000 1.118 142 T CB -0.119 68.752 68.868 0.004 0.000 0.889 142 T HN 0.391 nan 8.240 nan 0.000 0.506 143 N N 1.063 119.769 118.700 0.011 0.000 2.461 143 N HA 0.185 4.925 4.740 0.000 0.000 0.188 143 N C 0.175 175.694 175.510 0.015 0.000 1.134 143 N CA 0.029 53.086 53.050 0.012 0.000 0.878 143 N CB -0.150 38.344 38.487 0.012 0.000 0.972 143 N HN 0.481 nan 8.380 nan 0.000 0.456 144 L N 1.385 122.618 121.223 0.017 0.000 2.513 144 L HA -0.013 4.327 4.340 0.000 0.000 0.272 144 L C 1.685 178.568 176.870 0.021 0.000 1.187 144 L CA 0.224 55.076 54.840 0.021 0.000 0.895 144 L CB 0.510 42.582 42.059 0.023 0.000 1.147 144 L HN 0.155 nan 8.230 nan 0.000 0.483 145 T N -1.688 112.880 114.554 0.022 0.000 2.969 145 T HA 0.218 4.568 4.350 0.000 0.000 0.250 145 T C 0.645 175.362 174.700 0.028 0.000 1.021 145 T CA 0.265 62.379 62.100 0.023 0.000 1.003 145 T CB 0.574 69.453 68.868 0.020 0.000 1.040 145 T HN 0.602 nan 8.240 nan 0.000 0.492 146 G N 1.384 110.203 108.800 0.031 0.000 2.707 146 G HA2 0.629 4.589 3.960 0.000 0.000 0.299 146 G HA3 0.629 4.589 3.960 0.000 0.000 0.299 146 G C -2.005 172.920 174.900 0.042 0.000 1.442 146 G CA -0.646 44.477 45.100 0.038 0.000 1.009 146 G HN 0.340 nan 8.290 nan 0.000 0.515 147 L N 1.890 123.144 121.223 0.051 0.000 2.446 147 L HA 0.682 5.022 4.340 0.000 0.000 0.268 147 L C -0.450 176.461 176.870 0.067 0.000 0.975 147 L CA -0.330 54.540 54.840 0.051 0.000 0.848 147 L CB 2.180 44.265 42.059 0.045 0.000 1.225 147 L HN 0.375 nan 8.230 nan 0.000 0.410 148 T N 6.790 121.376 114.554 0.054 0.000 2.770 148 T HA 0.515 4.865 4.350 0.000 0.000 0.297 148 T C 0.629 175.316 174.700 -0.022 0.000 0.997 148 T CA -0.065 62.072 62.100 0.062 0.000 0.949 148 T CB 0.645 69.547 68.868 0.058 0.000 0.941 148 T HN 0.569 nan 8.240 nan 0.000 0.457 149 L N 3.080 124.315 121.223 0.020 0.000 3.333 149 L HA 0.370 4.710 4.340 0.000 0.000 0.299 149 L C 0.096 176.962 176.870 -0.007 0.000 1.256 149 L CA -0.625 54.199 54.840 -0.028 0.000 1.037 149 L CB 0.083 42.158 42.059 0.026 0.000 1.423 149 L HN 0.613 nan 8.230 nan 0.000 0.605 150 F N -1.167 118.804 119.950 0.034 0.000 2.496 150 F HA 0.322 4.849 4.527 0.000 0.000 0.344 150 F C 1.132 176.948 175.800 0.026 0.000 1.155 150 F CA -0.685 57.333 58.000 0.030 0.000 1.302 150 F CB 0.036 39.049 39.000 0.022 0.000 1.159 150 F HN 0.067 nan 8.300 nan 0.000 0.595 151 N N 2.064 120.915 118.700 0.253 0.000 2.681 151 N HA -0.240 4.500 4.740 0.000 0.000 0.259 151 N C -1.366 174.161 175.510 0.029 0.000 1.066 151 N CA 0.604 53.735 53.050 0.136 0.000 0.717 151 N CB -1.056 37.538 38.487 0.178 0.000 0.885 151 N HN 0.881 nan 8.380 nan 0.000 0.547 152 N N 0.180 118.902 118.700 0.037 0.000 3.512 152 N HA 0.347 5.088 4.740 0.000 0.000 0.360 152 N C -0.345 175.181 175.510 0.027 0.000 1.593 152 N CA -0.320 52.739 53.050 0.015 0.000 0.672 152 N CB 0.365 38.852 38.487 0.000 0.000 2.105 152 N HN 0.289 nan 8.380 nan 0.000 0.645 153 Q N 0.670 120.482 119.800 0.019 0.000 2.158 153 Q HA 0.463 4.803 4.340 0.000 0.000 0.306 153 Q C -0.745 175.266 176.000 0.019 0.000 0.878 153 Q CA -0.108 55.707 55.803 0.020 0.000 1.136 153 Q CB 0.560 29.306 28.738 0.013 0.000 1.253 153 Q HN 0.415 nan 8.270 nan 0.000 0.441 154 I N 0.031 120.617 120.570 0.026 0.000 2.441 154 I HA 0.088 4.258 4.170 0.000 0.000 0.287 154 I C 0.887 177.019 176.117 0.026 0.000 1.049 154 I CA 0.351 61.666 61.300 0.024 0.000 1.381 154 I CB 1.477 39.494 38.000 0.029 0.000 1.409 154 I HN 0.163 nan 8.210 nan 0.000 0.523 155 T N 1.719 116.283 114.554 0.016 0.000 3.098 155 T HA 0.021 4.371 4.350 0.000 0.000 0.246 155 T C 0.149 174.852 174.700 0.004 0.000 0.983 155 T CA 0.126 62.234 62.100 0.013 0.000 1.094 155 T CB 0.050 68.923 68.868 0.009 0.000 1.035 155 T HN 0.573 nan 8.240 nan 0.000 0.456 156 D N 2.130 122.530 120.400 0.000 0.000 2.347 156 D HA 0.214 4.854 4.640 0.000 0.000 0.235 156 D C 0.682 176.978 176.300 -0.007 0.000 1.149 156 D CA -0.497 53.499 54.000 -0.007 0.000 0.850 156 D CB 0.351 41.146 40.800 -0.007 0.000 1.061 156 D HN 0.446 nan 8.370 nan 0.000 0.487 157 I N 0.280 120.841 120.570 -0.014 0.000 3.941 157 I HA 0.330 4.501 4.170 0.000 0.000 0.335 157 I C 1.141 177.247 176.117 -0.019 0.000 1.402 157 I CA -0.388 60.904 61.300 -0.014 0.000 1.112 157 I CB 0.337 38.326 38.000 -0.018 0.000 1.043 157 I HN 0.165 nan 8.210 nan 0.000 0.395 158 D N 3.244 123.632 120.400 -0.019 0.000 2.158 158 D HA -0.144 4.497 4.640 0.000 0.000 0.197 158 D C -0.562 175.730 176.300 -0.014 0.000 0.995 158 D CA 1.800 55.789 54.000 -0.019 0.000 0.846 158 D CB -0.623 40.167 40.800 -0.017 0.000 0.941 158 D HN 0.286 nan 8.370 nan 0.000 0.456 159 P HA -0.061 nan 4.420 nan 0.000 0.231 159 P C 0.799 178.096 177.300 -0.005 0.000 1.158 159 P CA 0.778 63.873 63.100 -0.008 0.000 0.763 159 P CB -0.038 31.658 31.700 -0.007 0.000 0.805 160 L N -0.335 120.885 121.223 -0.005 0.000 2.558 160 L HA 0.030 4.370 4.340 0.000 0.000 0.225 160 L C 2.248 179.115 176.870 -0.004 0.000 1.128 160 L CA 0.534 55.374 54.840 -0.001 0.000 0.868 160 L CB -0.740 41.320 42.059 0.003 0.000 1.006 160 L HN 0.118 nan 8.230 nan 0.000 0.454 161 K N -0.383 120.012 120.400 -0.009 0.000 2.209 161 K HA -0.121 4.199 4.320 0.000 0.000 0.204 161 K C 0.988 177.584 176.600 -0.006 0.000 1.048 161 K CA 1.297 57.577 56.287 -0.011 0.000 0.940 161 K CB -0.137 32.354 32.500 -0.014 0.000 0.729 161 K HN 0.252 nan 8.250 nan 0.000 0.451 162 N N 0.878 119.576 118.700 -0.004 0.000 2.236 162 N HA 0.102 4.842 4.740 0.000 0.000 0.196 162 N C 0.058 175.569 175.510 0.001 0.000 1.114 162 N CA 0.211 53.260 53.050 -0.002 0.000 0.859 162 N CB 0.420 38.906 38.487 -0.003 0.000 0.982 162 N HN 0.204 nan 8.380 nan 0.000 0.493 163 L N 1.842 123.068 121.223 0.004 0.000 2.672 163 L HA 0.114 4.455 4.340 0.000 0.000 0.238 163 L C 1.487 178.363 176.870 0.010 0.000 1.392 163 L CA -0.037 54.807 54.840 0.008 0.000 1.238 163 L CB -0.828 41.238 42.059 0.011 0.000 1.548 163 L HN 0.074 nan 8.230 nan 0.000 0.423 164 T N -4.390 110.168 114.554 0.007 0.000 3.051 164 T HA -0.091 4.259 4.350 0.000 0.000 0.269 164 T C 1.347 176.053 174.700 0.010 0.000 1.127 164 T CA 0.633 62.737 62.100 0.008 0.000 1.107 164 T CB -0.153 68.718 68.868 0.005 0.000 0.898 164 T HN 0.381 nan 8.240 nan 0.000 0.517 165 N N 0.839 119.546 118.700 0.012 0.000 2.398 165 N HA 0.208 4.948 4.740 0.000 0.000 0.188 165 N C 0.188 175.708 175.510 0.017 0.000 1.122 165 N CA 0.001 53.059 53.050 0.013 0.000 0.866 165 N CB -0.045 38.449 38.487 0.012 0.000 0.970 165 N HN 0.472 nan 8.380 nan 0.000 0.462 166 L N 2.242 123.477 121.223 0.020 0.000 2.499 166 L HA 0.011 4.351 4.340 0.000 0.000 0.273 166 L C 1.595 178.480 176.870 0.026 0.000 1.195 166 L CA 0.140 54.995 54.840 0.025 0.000 0.882 166 L CB 0.421 42.498 42.059 0.030 0.000 1.133 166 L HN 0.283 nan 8.230 nan 0.000 0.483 167 N N 3.025 121.742 118.700 0.028 0.000 2.257 167 N HA 0.043 4.783 4.740 0.000 0.000 0.200 167 N C 0.431 175.961 175.510 0.033 0.000 1.163 167 N CA -0.376 52.690 53.050 0.028 0.000 0.891 167 N CB 0.987 39.487 38.487 0.022 0.000 1.067 167 N HN 0.504 nan 8.380 nan 0.000 0.497 168 R N 0.955 121.478 120.500 0.039 0.000 2.502 168 R HA 0.426 4.767 4.340 0.000 0.000 0.300 168 R C -2.086 174.251 176.300 0.061 0.000 0.984 168 R CA -0.585 55.544 56.100 0.048 0.000 0.882 168 R CB 1.534 31.862 30.300 0.046 0.000 1.180 168 R HN 0.141 nan 8.270 nan 0.000 0.444 169 L N 3.149 124.417 121.223 0.075 0.000 2.476 169 L HA 0.480 4.820 4.340 0.000 0.000 0.269 169 L C -1.690 175.252 176.870 0.121 0.000 0.965 169 L CA -0.202 54.693 54.840 0.093 0.000 0.845 169 L CB 2.221 44.332 42.059 0.087 0.000 1.259 169 L HN 0.635 nan 8.230 nan 0.000 0.403 170 E N 5.602 125.893 120.200 0.152 0.000 2.185 170 E HA 0.511 4.861 4.350 0.000 0.000 0.261 170 E C -0.236 176.506 176.600 0.236 0.000 0.879 170 E CA -0.076 56.448 56.400 0.206 0.000 0.756 170 E CB 1.823 31.715 29.700 0.319 0.000 1.152 170 E HN 0.665 nan 8.360 nan 0.000 0.416 171 L N 1.680 123.033 121.223 0.217 0.000 3.184 171 L HA 0.180 4.520 4.340 0.000 0.000 0.283 171 L C 0.269 177.262 176.870 0.206 0.000 1.218 171 L CA -0.230 54.737 54.840 0.211 0.000 1.028 171 L CB 0.554 42.736 42.059 0.204 0.000 1.400 171 L HN 0.429 nan 8.230 nan 0.000 0.591 172 S N -1.138 114.666 115.700 0.172 0.000 2.580 172 S HA 0.131 4.601 4.470 0.000 0.000 0.266 172 S C 0.942 175.630 174.600 0.147 0.000 1.354 172 S CA -0.006 58.251 58.200 0.095 0.000 1.008 172 S CB 0.990 64.167 63.200 -0.038 0.000 0.898 172 S HN 0.263 nan 8.310 nan 0.000 0.555 173 S N 1.181 116.939 115.700 0.096 0.000 3.706 173 S HA -0.133 4.337 4.470 0.000 0.000 0.363 173 S C -0.028 174.635 174.600 0.106 0.000 0.999 173 S CA 0.702 58.963 58.200 0.101 0.000 1.143 173 S CB -2.053 61.223 63.200 0.128 0.000 0.902 173 S HN 0.803 nan 8.310 nan 0.000 0.476 174 N N 0.227 118.986 118.700 0.098 0.000 3.201 174 N HA 0.560 5.300 4.740 0.000 0.000 0.344 174 N C 0.311 175.863 175.510 0.069 0.000 1.465 174 N CA -0.031 53.068 53.050 0.081 0.000 0.731 174 N CB 1.322 39.862 38.487 0.088 0.000 1.677 174 N HN 0.332 nan 8.380 nan 0.000 0.631 175 T N -1.489 113.099 114.554 0.056 0.000 3.393 175 T HA 0.487 4.837 4.350 0.000 0.000 0.255 175 T C 0.281 175.007 174.700 0.043 0.000 1.008 175 T CA -0.343 61.785 62.100 0.047 0.000 1.053 175 T CB -1.104 67.784 68.868 0.033 0.000 1.120 175 T HN 0.267 nan 8.240 nan 0.000 0.538 176 I N 2.406 123.011 120.570 0.058 0.000 2.441 176 I HA 0.247 4.417 4.170 0.000 0.000 0.287 176 I C 1.399 177.538 176.117 0.036 0.000 1.049 176 I CA -0.315 61.009 61.300 0.040 0.000 1.381 176 I CB 1.453 39.482 38.000 0.048 0.000 1.409 176 I HN 0.508 nan 8.210 nan 0.000 0.523 177 S N 2.008 117.713 115.700 0.007 0.000 2.575 177 S HA 0.119 4.590 4.470 0.000 0.000 0.230 177 S C 0.261 174.842 174.600 -0.032 0.000 1.062 177 S CA -0.305 57.896 58.200 0.003 0.000 0.913 177 S CB 0.266 63.470 63.200 0.006 0.000 0.837 177 S HN 0.643 nan 8.310 nan 0.000 0.487 178 D N 1.954 122.323 120.400 -0.052 0.000 2.381 178 D HA 0.380 5.020 4.640 0.000 0.000 0.235 178 D C 0.379 176.605 176.300 -0.124 0.000 1.068 178 D CA -0.758 53.197 54.000 -0.074 0.000 0.832 178 D CB 1.234 42.005 40.800 -0.049 0.000 1.101 178 D HN 0.463 nan 8.370 nan 0.000 0.515 179 I N 0.652 121.112 120.570 -0.184 0.000 3.889 179 I HA 0.202 4.372 4.170 0.000 0.000 0.332 179 I C 1.018 177.032 176.117 -0.171 0.000 1.493 179 I CA -0.468 60.676 61.300 -0.259 0.000 1.158 179 I CB 0.329 37.999 38.000 -0.551 0.000 1.117 179 I HN -0.006 nan 8.210 nan 0.000 0.411 180 S N 2.229 117.864 115.700 -0.109 0.000 2.392 180 S HA -0.235 4.235 4.470 0.000 0.000 0.232 180 S C 2.249 176.810 174.600 -0.064 0.000 1.041 180 S CA 1.840 59.996 58.200 -0.074 0.000 1.026 180 S CB -0.273 62.896 63.200 -0.052 0.000 0.845 180 S HN 0.760 nan 8.310 nan 0.000 0.465 181 A N 0.999 123.780 122.820 -0.065 0.000 2.125 181 A HA 0.067 4.387 4.320 0.000 0.000 0.219 181 A C 1.900 179.457 177.584 -0.045 0.000 1.156 181 A CA 0.841 52.850 52.037 -0.047 0.000 0.671 181 A CB -0.588 18.388 19.000 -0.040 0.000 0.794 181 A HN 0.505 nan 8.150 nan 0.000 0.459 182 L N 0.290 121.473 121.223 -0.067 0.000 2.395 182 L HA -0.089 4.252 4.340 0.000 0.000 0.218 182 L C 2.759 179.609 176.870 -0.034 0.000 1.130 182 L CA 1.035 55.843 54.840 -0.052 0.000 0.826 182 L CB -0.507 41.499 42.059 -0.087 0.000 0.941 182 L HN 0.597 nan 8.230 nan 0.000 0.451 183 S N 0.194 115.872 115.700 -0.038 0.000 2.400 183 S HA -0.143 4.327 4.470 0.000 0.000 0.232 183 S C 1.826 176.419 174.600 -0.012 0.000 1.025 183 S CA 1.238 59.424 58.200 -0.024 0.000 0.993 183 S CB -0.695 62.490 63.200 -0.026 0.000 0.808 183 S HN 0.442 nan 8.310 nan 0.000 0.478 184 G N 0.548 109.341 108.800 -0.011 0.000 3.042 184 G HA2 0.372 4.332 3.960 0.000 0.000 0.212 184 G HA3 0.372 4.332 3.960 0.000 0.000 0.212 184 G C 0.478 175.378 174.900 -0.000 0.000 1.166 184 G CA -0.414 44.683 45.100 -0.005 0.000 0.767 184 G HN 0.519 nan 8.290 nan 0.000 0.546 185 L N 2.851 124.075 121.223 0.001 0.000 2.480 185 L HA 0.156 4.496 4.340 0.000 0.000 0.243 185 L C 1.620 178.498 176.870 0.013 0.000 1.315 185 L CA -0.144 54.702 54.840 0.009 0.000 1.231 185 L CB -0.167 41.900 42.059 0.012 0.000 1.444 185 L HN 0.164 nan 8.230 nan 0.000 0.409 186 T N -5.256 109.305 114.554 0.011 0.000 3.252 186 T HA 0.020 4.370 4.350 0.000 0.000 0.250 186 T C 1.274 175.982 174.700 0.013 0.000 1.123 186 T CA 0.059 62.166 62.100 0.011 0.000 1.006 186 T CB 0.126 68.998 68.868 0.008 0.000 0.992 186 T HN 0.329 nan 8.240 nan 0.000 0.547 187 S N 0.359 116.068 115.700 0.015 0.000 2.539 187 S HA 0.384 4.854 4.470 0.000 0.000 0.221 187 S C 0.543 175.155 174.600 0.020 0.000 0.987 187 S CA -0.546 57.664 58.200 0.016 0.000 0.929 187 S CB -0.069 63.140 63.200 0.014 0.000 0.832 187 S HN 0.488 nan 8.310 nan 0.000 0.492 188 L N 2.291 123.529 121.223 0.025 0.000 2.540 188 L HA 0.029 4.369 4.340 0.000 0.000 0.276 188 L C 1.314 178.202 176.870 0.029 0.000 1.212 188 L CA 0.495 55.354 54.840 0.032 0.000 0.893 188 L CB 0.439 42.524 42.059 0.043 0.000 1.138 188 L HN 0.304 nan 8.230 nan 0.000 0.491 189 Q N 1.885 121.702 119.800 0.028 0.000 2.431 189 Q HA 0.155 4.495 4.340 0.000 0.000 0.244 189 Q C -0.321 175.692 176.000 0.022 0.000 0.880 189 Q CA 0.278 56.094 55.803 0.022 0.000 0.954 189 Q CB 0.873 29.621 28.738 0.017 0.000 1.105 189 Q HN 0.633 nan 8.270 nan 0.000 0.558 190 Q N 0.864 120.680 119.800 0.028 0.000 2.292 190 Q HA 0.585 4.925 4.340 0.000 0.000 0.270 190 Q C -1.834 174.190 176.000 0.040 0.000 1.024 190 Q CA -0.449 55.368 55.803 0.023 0.000 0.768 190 Q CB 2.652 31.401 28.738 0.019 0.000 1.250 190 Q HN -0.017 nan 8.270 nan 0.000 0.447 191 L N 2.991 124.234 121.223 0.034 0.000 2.482 191 L HA 0.656 4.997 4.340 0.000 0.000 0.263 191 L C -2.006 174.871 176.870 0.012 0.000 0.957 191 L CA -0.226 54.655 54.840 0.069 0.000 0.836 191 L CB 2.200 44.336 42.059 0.128 0.000 1.324 191 L HN 0.786 nan 8.230 nan 0.000 0.406 192 N N 2.424 121.142 118.700 0.031 0.000 2.525 192 N HA 0.831 5.571 4.740 0.000 0.000 0.270 192 N C -1.364 174.172 175.510 0.042 0.000 1.321 192 N CA -0.519 52.461 53.050 -0.118 0.000 0.797 192 N CB 1.733 40.129 38.487 -0.152 0.000 1.529 192 N HN 0.507 nan 8.380 nan 0.000 0.491 193 F N -3.352 116.606 119.950 0.012 0.000 2.741 193 F HA 0.925 5.452 4.527 0.000 0.000 0.311 193 F C -0.349 175.461 175.800 0.016 0.000 1.149 193 F CA -0.740 57.274 58.000 0.024 0.000 0.930 193 F CB 1.313 40.325 39.000 0.021 0.000 1.312 193 F HN 0.815 nan 8.300 nan 0.000 0.450 194 G N 0.613 109.589 108.800 0.293 0.000 2.506 194 G HA2 0.411 4.371 3.960 0.000 0.000 0.292 194 G HA3 0.411 4.371 3.960 0.000 0.000 0.292 194 G C -1.911 173.077 174.900 0.148 0.000 1.425 194 G CA -0.637 44.571 45.100 0.181 0.000 0.788 194 G HN 1.235 nan 8.290 nan 0.000 0.490 195 N N -1.191 117.571 118.700 0.103 0.000 2.299 195 N HA 0.144 4.884 4.740 0.000 0.000 0.246 195 N C 0.284 175.838 175.510 0.074 0.000 1.254 195 N CA -0.226 52.872 53.050 0.081 0.000 0.879 195 N CB 1.062 39.579 38.487 0.049 0.000 1.214 195 N HN 0.315 nan 8.380 nan 0.000 0.510 196 Q N 0.167 120.018 119.800 0.085 0.000 2.135 196 Q HA 0.285 4.626 4.340 0.000 0.000 0.222 196 Q C -0.430 175.610 176.000 0.066 0.000 0.808 196 Q CA -0.131 55.709 55.803 0.061 0.000 1.049 196 Q CB 1.636 30.399 28.738 0.042 0.000 1.168 196 Q HN 0.176 nan 8.270 nan 0.000 0.483 197 V N 1.467 121.447 119.914 0.111 0.000 2.488 197 V HA 0.117 4.237 4.120 0.000 0.000 0.277 197 V C 1.126 177.277 176.094 0.094 0.000 1.046 197 V CA 0.577 62.941 62.300 0.107 0.000 0.986 197 V CB 1.327 33.272 31.823 0.202 0.000 0.989 197 V HN 0.224 nan 8.190 nan 0.000 0.475 198 T N 1.658 116.244 114.554 0.054 0.000 3.056 198 T HA 0.058 4.408 4.350 0.000 0.000 0.241 198 T C 0.490 175.215 174.700 0.041 0.000 1.006 198 T CA 0.160 62.286 62.100 0.044 0.000 1.115 198 T CB 0.097 68.981 68.868 0.026 0.000 0.939 198 T HN 0.686 nan 8.240 nan 0.000 0.462 199 D N 1.443 121.856 120.400 0.022 0.000 2.396 199 D HA 0.255 4.895 4.640 0.000 0.000 0.225 199 D C 0.538 176.840 176.300 0.003 0.000 1.121 199 D CA -0.285 53.720 54.000 0.009 0.000 0.853 199 D CB 0.550 41.345 40.800 -0.009 0.000 1.043 199 D HN 0.155 nan 8.370 nan 0.000 0.500 200 L N 3.460 124.700 121.223 0.029 0.000 2.592 200 L HA 0.118 4.459 4.340 0.000 0.000 0.227 200 L C 2.189 179.069 176.870 0.016 0.000 1.127 200 L CA -0.067 54.800 54.840 0.044 0.000 0.884 200 L CB 0.047 42.162 42.059 0.094 0.000 1.065 200 L HN 0.292 nan 8.230 nan 0.000 0.457 201 K N 0.840 121.242 120.400 0.002 0.000 2.127 201 K HA -0.190 4.130 4.320 0.000 0.000 0.208 201 K C -0.552 176.040 176.600 -0.013 0.000 1.047 201 K CA 1.472 57.757 56.287 -0.003 0.000 0.927 201 K CB -1.070 31.426 32.500 -0.006 0.000 0.716 201 K HN 0.292 nan 8.250 nan 0.000 0.450 202 P HA -0.112 nan 4.420 nan 0.000 0.229 202 P C 0.738 178.022 177.300 -0.027 0.000 1.150 202 P CA 0.960 64.035 63.100 -0.042 0.000 0.765 202 P CB 0.009 31.662 31.700 -0.078 0.000 0.783 203 L N -1.900 119.320 121.223 -0.006 0.000 2.492 203 L HA 0.074 4.415 4.340 0.000 0.000 0.223 203 L C 2.328 179.211 176.870 0.021 0.000 1.132 203 L CA 0.472 55.325 54.840 0.023 0.000 0.850 203 L CB -0.887 41.211 42.059 0.065 0.000 0.966 203 L HN -0.036 nan 8.230 nan 0.000 0.454 204 A N 1.102 123.929 122.820 0.012 0.000 1.927 204 A HA -0.243 4.077 4.320 0.000 0.000 0.220 204 A C 1.821 179.411 177.584 0.010 0.000 1.185 204 A CA 2.146 54.189 52.037 0.011 0.000 0.639 204 A CB -0.468 18.535 19.000 0.006 0.000 0.820 204 A HN 0.453 nan 8.150 nan 0.000 0.451 205 N N -0.301 118.403 118.700 0.007 0.000 2.336 205 N HA 0.136 4.876 4.740 0.000 0.000 0.189 205 N C 0.050 175.566 175.510 0.011 0.000 1.113 205 N CA 0.254 53.308 53.050 0.007 0.000 0.858 205 N CB 0.036 38.525 38.487 0.003 0.000 0.970 205 N HN 0.483 nan 8.380 nan 0.000 0.471 206 L N 1.344 122.576 121.223 0.016 0.000 2.796 206 L HA 0.180 4.520 4.340 0.000 0.000 0.235 206 L C 1.257 178.140 176.870 0.021 0.000 1.344 206 L CA -0.124 54.728 54.840 0.021 0.000 1.245 206 L CB -0.632 41.445 42.059 0.030 0.000 1.556 206 L HN 0.046 nan 8.230 nan 0.000 0.423 207 T N -5.064 109.500 114.554 0.016 0.000 3.113 207 T HA -0.124 4.226 4.350 0.000 0.000 0.263 207 T C 1.781 176.489 174.700 0.013 0.000 1.143 207 T CA 1.055 63.163 62.100 0.014 0.000 1.090 207 T CB -0.398 68.476 68.868 0.011 0.000 0.922 207 T HN 0.554 nan 8.240 nan 0.000 0.521 208 T N 0.350 114.913 114.554 0.015 0.000 3.072 208 T HA 0.231 4.581 4.350 0.000 0.000 0.266 208 T C 0.829 175.539 174.700 0.016 0.000 1.127 208 T CA -0.215 61.893 62.100 0.014 0.000 1.107 208 T CB -0.743 68.134 68.868 0.014 0.000 0.910 208 T HN 0.386 nan 8.240 nan 0.000 0.513 209 L N 1.903 123.138 121.223 0.021 0.000 2.601 209 L HA 0.072 4.412 4.340 0.000 0.000 0.277 209 L C 1.317 178.195 176.870 0.014 0.000 1.219 209 L CA 0.510 55.364 54.840 0.022 0.000 0.915 209 L CB 0.382 42.460 42.059 0.032 0.000 1.160 209 L HN 0.325 nan 8.230 nan 0.000 0.494 210 E N 2.815 123.021 120.200 0.010 0.000 2.391 210 E HA 0.176 4.526 4.350 0.000 0.000 0.206 210 E C -0.226 176.372 176.600 -0.003 0.000 0.851 210 E CA -0.000 56.402 56.400 0.003 0.000 1.059 210 E CB 0.759 30.460 29.700 0.003 0.000 1.065 210 E HN 0.516 nan 8.360 nan 0.000 0.512 211 R N 1.207 121.705 120.500 -0.004 0.000 2.500 211 R HA 0.449 4.789 4.340 0.000 0.000 0.299 211 R C -1.611 174.676 176.300 -0.021 0.000 1.038 211 R CA -0.575 55.515 56.100 -0.016 0.000 0.903 211 R CB 2.018 32.307 30.300 -0.018 0.000 1.177 211 R HN -0.088 nan 8.270 nan 0.000 0.455 212 L N 2.108 123.309 121.223 -0.037 0.000 2.385 212 L HA 0.512 4.852 4.340 0.000 0.000 0.273 212 L C -1.410 175.395 176.870 -0.108 0.000 0.990 212 L CA -0.370 54.435 54.840 -0.057 0.000 0.821 212 L CB 1.973 44.014 42.059 -0.030 0.000 1.279 212 L HN 0.475 nan 8.230 nan 0.000 0.412 213 D N 4.532 124.827 120.400 -0.175 0.000 2.505 213 D HA 0.329 4.969 4.640 0.000 0.000 0.250 213 D C 0.150 176.217 176.300 -0.388 0.000 1.164 213 D CA -0.243 53.625 54.000 -0.221 0.000 0.870 213 D CB 1.037 41.727 40.800 -0.184 0.000 1.160 213 D HN 0.594 nan 8.370 nan 0.000 0.549 214 I N 0.285 120.644 120.570 -0.353 0.000 3.927 214 I HA 0.355 4.525 4.170 0.000 0.000 0.332 214 I C -0.088 175.881 176.117 -0.245 0.000 1.485 214 I CA -0.573 60.456 61.300 -0.452 0.000 1.131 214 I CB 0.426 38.238 38.000 -0.314 0.000 1.092 214 I HN -0.040 nan 8.210 nan 0.000 0.410 215 S N 1.201 116.787 115.700 -0.190 0.000 2.563 215 S HA 0.062 4.532 4.470 0.000 0.000 0.284 215 S C 1.036 175.581 174.600 -0.091 0.000 1.331 215 S CA 0.495 58.625 58.200 -0.117 0.000 1.047 215 S CB 0.489 63.625 63.200 -0.106 0.000 0.859 215 S HN 0.636 nan 8.310 nan 0.000 0.514 216 S N 1.146 116.814 115.700 -0.053 0.000 3.698 216 S HA -0.138 4.332 4.470 0.000 0.000 0.338 216 S C 0.263 174.860 174.600 -0.005 0.000 1.089 216 S CA 0.447 58.631 58.200 -0.026 0.000 0.991 216 S CB -1.567 61.617 63.200 -0.026 0.000 0.909 216 S HN 0.749 nan 8.310 nan 0.000 0.485 217 N N 0.885 119.587 118.700 0.002 0.000 2.752 217 N HA 0.394 5.134 4.740 0.000 0.000 0.316 217 N C 0.348 175.879 175.510 0.034 0.000 1.343 217 N CA -0.582 52.493 53.050 0.042 0.000 0.875 217 N CB 0.392 38.930 38.487 0.084 0.000 1.120 217 N HN 0.209 nan 8.380 nan 0.000 0.562 218 K N 0.786 121.214 120.400 0.047 0.000 3.135 218 K HA 0.349 4.669 4.320 0.000 0.000 0.210 218 K C -0.966 175.655 176.600 0.035 0.000 1.176 218 K CA -0.149 56.157 56.287 0.033 0.000 1.064 218 K CB 0.763 33.281 32.500 0.030 0.000 1.009 218 K HN 0.125 nan 8.250 nan 0.000 0.472 219 V N 1.729 121.664 119.914 0.036 0.000 2.432 219 V HA 0.052 4.172 4.120 0.000 0.000 0.275 219 V C 1.068 177.175 176.094 0.022 0.000 1.043 219 V CA 0.057 62.380 62.300 0.038 0.000 0.925 219 V CB 1.369 33.221 31.823 0.048 0.000 0.985 219 V HN 0.515 nan 8.190 nan 0.000 0.466 220 S N 1.996 117.708 115.700 0.020 0.000 2.665 220 S HA 0.123 4.593 4.470 0.000 0.000 0.240 220 S C 0.516 175.124 174.600 0.013 0.000 1.081 220 S CA -0.090 58.117 58.200 0.013 0.000 0.887 220 S CB 0.200 63.406 63.200 0.010 0.000 0.805 220 S HN 0.654 nan 8.310 nan 0.000 0.486 221 D N 2.299 122.709 120.400 0.018 0.000 2.380 221 D HA 0.319 4.959 4.640 0.000 0.000 0.230 221 D C 0.526 176.839 176.300 0.022 0.000 1.154 221 D CA -0.649 53.361 54.000 0.017 0.000 0.859 221 D CB 0.661 41.470 40.800 0.015 0.000 1.045 221 D HN 0.557 nan 8.370 nan 0.000 0.495 222 I N 0.879 121.460 120.570 0.018 0.000 3.914 222 I HA 0.148 4.318 4.170 0.000 0.000 0.333 222 I C 1.405 177.533 176.117 0.018 0.000 1.449 222 I CA -0.406 60.906 61.300 0.021 0.000 1.135 222 I CB 0.085 38.094 38.000 0.015 0.000 1.073 222 I HN 0.147 nan 8.210 nan 0.000 0.401 223 S N 0.591 116.300 115.700 0.015 0.000 2.402 223 S HA -0.210 4.261 4.470 0.000 0.000 0.233 223 S C 1.863 176.471 174.600 0.014 0.000 1.030 223 S CA 1.423 59.630 58.200 0.012 0.000 1.003 223 S CB -0.925 62.281 63.200 0.010 0.000 0.813 223 S HN 0.471 nan 8.310 nan 0.000 0.477 224 V N 1.891 121.816 119.914 0.019 0.000 2.626 224 V HA 0.001 4.121 4.120 0.000 0.000 0.252 224 V C 2.098 178.206 176.094 0.023 0.000 1.067 224 V CA 1.339 63.651 62.300 0.021 0.000 1.081 224 V CB -0.653 31.186 31.823 0.026 0.000 0.686 224 V HN 0.616 nan 8.190 nan 0.000 0.468 225 L N 0.231 121.468 121.223 0.024 0.000 2.191 225 L HA -0.100 4.240 4.340 0.000 0.000 0.212 225 L C 2.743 179.621 176.870 0.014 0.000 1.103 225 L CA 1.316 56.169 54.840 0.021 0.000 0.769 225 L CB -1.021 41.049 42.059 0.018 0.000 0.908 225 L HN 0.430 nan 8.230 nan 0.000 0.438 226 A N 0.323 123.150 122.820 0.012 0.000 2.024 226 A HA -0.226 4.094 4.320 0.000 0.000 0.220 226 A C 2.218 179.807 177.584 0.009 0.000 1.164 226 A CA 1.645 53.688 52.037 0.008 0.000 0.643 226 A CB -0.295 18.709 19.000 0.007 0.000 0.806 226 A HN 0.229 nan 8.150 nan 0.000 0.451 227 K N -0.954 119.452 120.400 0.011 0.000 2.288 227 K HA 0.097 4.417 4.320 0.000 0.000 0.201 227 K C -0.030 176.577 176.600 0.012 0.000 1.048 227 K CA 0.336 56.629 56.287 0.011 0.000 0.956 227 K CB -0.067 32.440 32.500 0.012 0.000 0.746 227 K HN 0.299 nan 8.250 nan 0.000 0.461 228 L N 1.883 123.114 121.223 0.014 0.000 2.648 228 L HA 0.099 4.439 4.340 0.000 0.000 0.238 228 L C 0.910 177.786 176.870 0.010 0.000 1.316 228 L CA 0.497 55.346 54.840 0.014 0.000 1.241 228 L CB -0.852 41.219 42.059 0.020 0.000 1.499 228 L HN 0.185 nan 8.230 nan 0.000 0.411 229 T N -4.161 110.398 114.554 0.008 0.000 3.051 229 T HA -0.078 4.272 4.350 0.000 0.000 0.269 229 T C 1.316 176.019 174.700 0.004 0.000 1.127 229 T CA 0.769 62.872 62.100 0.005 0.000 1.107 229 T CB -0.121 68.750 68.868 0.004 0.000 0.898 229 T HN 0.330 nan 8.240 nan 0.000 0.517 230 N N 0.760 119.463 118.700 0.005 0.000 2.336 230 N HA 0.231 4.971 4.740 0.000 0.000 0.189 230 N C 0.221 175.733 175.510 0.003 0.000 1.113 230 N CA -0.050 53.002 53.050 0.004 0.000 0.858 230 N CB 0.011 38.501 38.487 0.006 0.000 0.970 230 N HN 0.462 nan 8.380 nan 0.000 0.471 231 L N 1.364 122.589 121.223 0.003 0.000 2.540 231 L HA -0.056 4.284 4.340 0.000 0.000 0.276 231 L C 1.291 178.159 176.870 -0.004 0.000 1.212 231 L CA 0.619 55.459 54.840 -0.001 0.000 0.893 231 L CB 0.562 42.621 42.059 -0.001 0.000 1.138 231 L HN 0.102 nan 8.230 nan 0.000 0.491 232 E N 0.712 120.907 120.200 -0.007 0.000 2.399 232 E HA 0.061 4.411 4.350 0.000 0.000 0.205 232 E C 0.027 176.618 176.600 -0.015 0.000 0.906 232 E CA 0.027 56.421 56.400 -0.010 0.000 0.998 232 E CB 1.047 30.742 29.700 -0.009 0.000 1.002 232 E HN 0.487 nan 8.360 nan 0.000 0.501 233 S N 0.892 116.581 115.700 -0.019 0.000 2.614 233 S HA 0.505 4.975 4.470 0.000 0.000 0.288 233 S C -1.811 172.770 174.600 -0.032 0.000 1.137 233 S CA -0.749 57.435 58.200 -0.027 0.000 0.992 233 S CB 1.087 64.268 63.200 -0.031 0.000 1.026 233 S HN 0.095 nan 8.310 nan 0.000 0.486 234 L N 6.378 127.580 121.223 -0.035 0.000 2.404 234 L HA 0.701 5.042 4.340 0.000 0.000 0.272 234 L C -1.745 175.093 176.870 -0.053 0.000 0.980 234 L CA -0.502 54.312 54.840 -0.043 0.000 0.836 234 L CB 1.409 43.449 42.059 -0.031 0.000 1.238 234 L HN 0.605 nan 8.230 nan 0.000 0.408 235 I N 5.376 125.903 120.570 -0.072 0.000 2.382 235 I HA 0.613 4.783 4.170 0.000 0.000 0.286 235 I C 0.422 176.483 176.117 -0.093 0.000 1.002 235 I CA -0.446 60.806 61.300 -0.080 0.000 1.135 235 I CB 1.158 39.102 38.000 -0.093 0.000 1.288 235 I HN 0.787 nan 8.210 nan 0.000 0.448 236 A N 4.063 126.839 122.820 -0.075 0.000 2.843 236 A HA 0.360 4.680 4.320 0.000 0.000 0.248 236 A C 0.575 178.126 177.584 -0.056 0.000 0.904 236 A CA -0.397 51.597 52.037 -0.071 0.000 1.091 236 A CB -0.080 18.888 19.000 -0.052 0.000 1.208 236 A HN 0.701 nan 8.150 nan 0.000 0.476 237 T N -1.740 112.778 114.554 -0.060 0.000 2.856 237 T HA 0.338 4.688 4.350 0.000 0.000 0.306 237 T C 0.430 175.106 174.700 -0.041 0.000 1.062 237 T CA 0.526 62.598 62.100 -0.047 0.000 1.083 237 T CB -0.141 68.698 68.868 -0.049 0.000 0.984 237 T HN 0.645 nan 8.240 nan 0.000 0.542 238 N N 1.543 120.225 118.700 -0.031 0.000 2.714 238 N HA -0.160 4.580 4.740 0.000 0.000 0.253 238 N C -0.519 174.980 175.510 -0.019 0.000 1.024 238 N CA 0.574 53.610 53.050 -0.024 0.000 0.726 238 N CB -1.182 37.291 38.487 -0.024 0.000 0.908 238 N HN 0.646 nan 8.380 nan 0.000 0.542 239 N N -0.043 118.647 118.700 -0.017 0.000 3.184 239 N HA 0.340 5.080 4.740 0.000 0.000 0.353 239 N C -0.089 175.418 175.510 -0.005 0.000 1.441 239 N CA -0.462 52.582 53.050 -0.009 0.000 0.723 239 N CB 0.585 39.066 38.487 -0.010 0.000 1.547 239 N HN 0.101 nan 8.380 nan 0.000 0.624 240 Q N 0.850 120.650 119.800 -0.001 0.000 2.155 240 Q HA 0.413 4.753 4.340 0.000 0.000 0.273 240 Q C -0.480 175.520 176.000 0.000 0.000 0.857 240 Q CA -0.140 55.663 55.803 0.000 0.000 1.116 240 Q CB 0.634 29.375 28.738 0.004 0.000 1.209 240 Q HN 0.480 nan 8.270 nan 0.000 0.460 241 I N 1.519 122.087 120.570 -0.002 0.000 2.416 241 I HA 0.014 4.184 4.170 0.000 0.000 0.288 241 I C 1.261 177.376 176.117 -0.004 0.000 1.051 241 I CA 0.188 61.487 61.300 -0.002 0.000 1.375 241 I CB 1.115 39.113 38.000 -0.004 0.000 1.407 241 I HN 0.092 nan 8.210 nan 0.000 0.516 242 S N 1.981 117.680 115.700 -0.002 0.000 2.593 242 S HA 0.087 4.557 4.470 0.000 0.000 0.235 242 S C 0.214 174.813 174.600 -0.002 0.000 1.059 242 S CA -0.369 57.829 58.200 -0.003 0.000 0.953 242 S CB 0.175 63.373 63.200 -0.002 0.000 0.897 242 S HN 0.658 nan 8.310 nan 0.000 0.507 243 D N 2.087 122.487 120.400 -0.001 0.000 2.392 243 D HA 0.384 5.024 4.640 0.000 0.000 0.228 243 D C 0.593 176.893 176.300 -0.001 0.000 1.074 243 D CA -0.733 53.267 54.000 -0.000 0.000 0.838 243 D CB 0.885 41.686 40.800 0.001 0.000 1.067 243 D HN 0.476 nan 8.370 nan 0.000 0.511 244 I N 0.914 121.483 120.570 -0.002 0.000 3.941 244 I HA 0.157 4.327 4.170 0.000 0.000 0.335 244 I C 1.502 177.618 176.117 -0.001 0.000 1.402 244 I CA -0.237 61.062 61.300 -0.002 0.000 1.112 244 I CB -0.040 37.957 38.000 -0.005 0.000 1.043 244 I HN 0.257 nan 8.210 nan 0.000 0.395 245 T N -0.322 114.232 114.554 -0.001 0.000 2.778 245 T HA -0.036 4.315 4.350 0.000 0.000 0.269 245 T C -0.285 174.416 174.700 0.001 0.000 1.050 245 T CA 1.291 63.391 62.100 -0.000 0.000 1.137 245 T CB -2.021 66.847 68.868 0.000 0.000 0.860 245 T HN 0.302 nan 8.240 nan 0.000 0.468 246 P HA 0.057 nan 4.420 nan 0.000 0.221 246 P C 1.321 178.623 177.300 0.003 0.000 1.145 246 P CA 0.736 63.838 63.100 0.004 0.000 0.795 246 P CB -0.318 31.385 31.700 0.006 0.000 0.775 247 L N -2.080 119.143 121.223 0.001 0.000 2.478 247 L HA 0.059 4.399 4.340 0.000 0.000 0.223 247 L C 2.496 179.366 176.870 -0.001 0.000 1.140 247 L CA 0.791 55.631 54.840 -0.001 0.000 0.842 247 L CB -1.313 40.744 42.059 -0.004 0.000 0.953 247 L HN 0.062 nan 8.230 nan 0.000 0.452 248 G N 2.184 110.983 108.800 -0.001 0.000 2.505 248 G HA2 -0.298 3.663 3.960 0.000 0.000 0.220 248 G HA3 -0.298 3.663 3.960 0.000 0.000 0.220 248 G C 1.436 176.335 174.900 -0.001 0.000 1.145 248 G CA 1.287 46.386 45.100 -0.001 0.000 0.761 248 G HN 0.622 nan 8.290 nan 0.000 0.571 249 I N -1.936 118.634 120.570 0.000 0.000 3.793 249 I HA 0.369 4.539 4.170 0.000 0.000 0.315 249 I C 0.272 176.389 176.117 0.000 0.000 1.275 249 I CA -0.336 60.964 61.300 0.001 0.000 1.214 249 I CB 0.237 38.238 38.000 0.001 0.000 1.018 249 I HN -0.183 nan 8.210 nan 0.000 0.439 250 L N 2.996 124.219 121.223 -0.000 0.000 2.672 250 L HA 0.159 4.499 4.340 0.000 0.000 0.238 250 L C 1.776 178.645 176.870 -0.002 0.000 1.392 250 L CA 0.527 55.366 54.840 -0.001 0.000 1.238 250 L CB -0.836 41.222 42.059 -0.001 0.000 1.548 250 L HN 0.384 nan 8.230 nan 0.000 0.423 251 T N -4.644 109.909 114.554 -0.002 0.000 3.072 251 T HA -0.045 4.306 4.350 0.000 0.000 0.266 251 T C 1.407 176.106 174.700 -0.003 0.000 1.127 251 T CA 0.442 62.541 62.100 -0.002 0.000 1.107 251 T CB -0.145 68.722 68.868 -0.002 0.000 0.910 251 T HN 0.299 nan 8.240 nan 0.000 0.513 252 N N 1.059 119.758 118.700 -0.003 0.000 2.521 252 N HA 0.163 4.903 4.740 0.000 0.000 0.188 252 N C 0.258 175.765 175.510 -0.005 0.000 1.146 252 N CA 0.063 53.111 53.050 -0.003 0.000 0.893 252 N CB -0.188 38.298 38.487 -0.002 0.000 0.975 252 N HN 0.478 nan 8.380 nan 0.000 0.451 253 L N 1.835 123.054 121.223 -0.006 0.000 2.513 253 L HA -0.057 4.283 4.340 0.000 0.000 0.272 253 L C 1.074 177.938 176.870 -0.010 0.000 1.187 253 L CA 0.121 54.955 54.840 -0.009 0.000 0.895 253 L CB 0.499 42.552 42.059 -0.010 0.000 1.147 253 L HN 0.153 nan 8.230 nan 0.000 0.483 254 D N 0.444 120.837 120.400 -0.012 0.000 2.479 254 D HA 0.024 4.664 4.640 0.000 0.000 0.221 254 D C 0.284 176.575 176.300 -0.016 0.000 1.104 254 D CA -0.196 53.797 54.000 -0.013 0.000 0.849 254 D CB 0.473 41.267 40.800 -0.012 0.000 1.072 254 D HN 0.451 nan 8.370 nan 0.000 0.502 255 E N 0.101 120.289 120.200 -0.019 0.000 2.260 255 E HA 0.502 4.852 4.350 0.000 0.000 0.266 255 E C -2.014 174.570 176.600 -0.026 0.000 0.887 255 E CA -1.047 55.338 56.400 -0.024 0.000 0.777 255 E CB 1.650 31.333 29.700 -0.029 0.000 1.205 255 E HN 0.081 nan 8.360 nan 0.000 0.414 256 L N 3.348 124.555 121.223 -0.026 0.000 2.470 256 L HA 0.535 4.875 4.340 0.000 0.000 0.268 256 L C -1.733 175.119 176.870 -0.030 0.000 0.964 256 L CA -0.212 54.612 54.840 -0.028 0.000 0.839 256 L CB 2.235 44.282 42.059 -0.021 0.000 1.276 256 L HN 0.396 nan 8.230 nan 0.000 0.403 257 S N 5.053 120.731 115.700 -0.036 0.000 2.659 257 S HA 0.639 5.109 4.470 0.000 0.000 0.312 257 S C -0.306 174.272 174.600 -0.037 0.000 1.114 257 S CA -0.434 57.744 58.200 -0.037 0.000 1.063 257 S CB 0.692 63.865 63.200 -0.045 0.000 0.996 257 S HN 0.711 nan 8.310 nan 0.000 0.478 258 L N 4.089 125.294 121.223 -0.030 0.000 3.202 258 L HA 0.378 4.718 4.340 0.000 0.000 0.278 258 L C 0.731 177.585 176.870 -0.025 0.000 1.268 258 L CA -0.373 54.451 54.840 -0.027 0.000 1.034 258 L CB 0.166 42.213 42.059 -0.021 0.000 1.407 258 L HN 0.589 nan 8.230 nan 0.000 0.581 259 N N 2.221 120.904 118.700 -0.028 0.000 2.359 259 N HA -0.044 4.696 4.740 0.000 0.000 0.261 259 N C 0.855 176.350 175.510 -0.024 0.000 1.267 259 N CA 1.584 54.619 53.050 -0.026 0.000 0.864 259 N CB 0.784 39.254 38.487 -0.028 0.000 1.063 259 N HN 0.431 nan 8.380 nan 0.000 0.474 260 G N 2.721 111.508 108.800 -0.021 0.000 2.385 260 G HA2 -0.227 3.733 3.960 0.000 0.000 0.294 260 G HA3 -0.227 3.733 3.960 0.000 0.000 0.294 260 G C -0.075 174.814 174.900 -0.018 0.000 1.070 260 G CA -0.036 45.052 45.100 -0.019 0.000 1.172 260 G HN 0.768 nan 8.290 nan 0.000 0.516 261 N N -0.712 117.978 118.700 -0.016 0.000 3.470 261 N HA 0.402 5.142 4.740 0.000 0.000 0.361 261 N C 0.452 175.954 175.510 -0.012 0.000 1.536 261 N CA -0.603 52.439 53.050 -0.013 0.000 0.642 261 N CB 0.632 39.111 38.487 -0.013 0.000 2.002 261 N HN 0.299 nan 8.380 nan 0.000 0.620 262 Q N 0.895 120.689 119.800 -0.010 0.000 2.217 262 Q HA 0.427 4.767 4.340 0.000 0.000 0.340 262 Q C -0.759 175.236 176.000 -0.008 0.000 0.893 262 Q CA -0.142 55.656 55.803 -0.009 0.000 1.142 262 Q CB 0.544 29.278 28.738 -0.006 0.000 1.288 262 Q HN 0.306 nan 8.270 nan 0.000 0.426 263 L N 0.555 121.772 121.223 -0.009 0.000 2.397 263 L HA 0.243 4.583 4.340 0.000 0.000 0.271 263 L C 0.920 177.785 176.870 -0.008 0.000 1.148 263 L CA 0.347 55.182 54.840 -0.009 0.000 0.825 263 L CB 0.869 42.922 42.059 -0.010 0.000 1.117 263 L HN 0.232 nan 8.230 nan 0.000 0.456 264 K N 0.748 121.144 120.400 -0.007 0.000 2.763 264 K HA 0.038 4.359 4.320 0.000 0.000 0.207 264 K C 0.004 176.600 176.600 -0.006 0.000 1.532 264 K CA -0.391 55.892 56.287 -0.006 0.000 1.059 264 K CB 0.429 32.925 32.500 -0.005 0.000 1.854 264 K HN 0.571 nan 8.250 nan 0.000 0.497 265 D N 2.214 122.612 120.400 -0.005 0.000 2.344 265 D HA 0.050 4.690 4.640 0.000 0.000 0.253 265 D C 0.518 176.815 176.300 -0.005 0.000 1.255 265 D CA -0.184 53.814 54.000 -0.004 0.000 0.894 265 D CB 0.603 41.402 40.800 -0.003 0.000 1.067 265 D HN 0.411 nan 8.370 nan 0.000 0.492 266 I N 0.871 121.438 120.570 -0.005 0.000 3.889 266 I HA 0.411 4.581 4.170 0.000 0.000 0.332 266 I C 1.598 177.712 176.117 -0.005 0.000 1.493 266 I CA -0.751 60.545 61.300 -0.005 0.000 1.158 266 I CB 0.497 38.492 38.000 -0.007 0.000 1.117 266 I HN 0.319 nan 8.210 nan 0.000 0.411 267 G N 1.698 110.496 108.800 -0.004 0.000 2.469 267 G HA2 -0.262 3.698 3.960 0.000 0.000 0.220 267 G HA3 -0.262 3.698 3.960 0.000 0.000 0.220 267 G C 1.411 176.310 174.900 -0.003 0.000 1.136 267 G CA 1.759 46.858 45.100 -0.003 0.000 0.759 267 G HN 0.430 nan 8.290 nan 0.000 0.562 268 T N 1.515 116.067 114.554 -0.003 0.000 2.759 268 T HA -0.074 4.277 4.350 0.000 0.000 0.269 268 T C 2.352 177.050 174.700 -0.004 0.000 1.042 268 T CA 0.951 63.050 62.100 -0.003 0.000 1.140 268 T CB -0.215 68.651 68.868 -0.003 0.000 0.864 268 T HN 0.232 nan 8.240 nan 0.000 0.455 269 L N 0.873 122.094 121.223 -0.005 0.000 2.187 269 L HA -0.130 4.210 4.340 0.000 0.000 0.213 269 L C 2.985 179.852 176.870 -0.004 0.000 1.100 269 L CA 0.962 55.799 54.840 -0.005 0.000 0.765 269 L CB -0.818 41.237 42.059 -0.006 0.000 0.904 269 L HN 0.253 nan 8.230 nan 0.000 0.437 270 A N -0.392 122.425 122.820 -0.004 0.000 2.024 270 A HA -0.180 4.141 4.320 0.000 0.000 0.220 270 A C 2.460 180.043 177.584 -0.003 0.000 1.164 270 A CA 1.951 53.986 52.037 -0.003 0.000 0.643 270 A CB -0.432 18.567 19.000 -0.003 0.000 0.806 270 A HN 0.414 nan 8.150 nan 0.000 0.451 271 S N -0.500 115.198 115.700 -0.003 0.000 2.481 271 S HA 0.087 4.557 4.470 0.000 0.000 0.231 271 S C 0.738 175.336 174.600 -0.003 0.000 0.996 271 S CA 0.425 58.623 58.200 -0.003 0.000 0.942 271 S CB -0.225 62.973 63.200 -0.002 0.000 0.768 271 S HN 0.506 nan 8.310 nan 0.000 0.520 272 L N 2.904 124.125 121.223 -0.004 0.000 2.719 272 L HA 0.197 4.537 4.340 0.000 0.000 0.236 272 L C 1.500 178.368 176.870 -0.005 0.000 1.285 272 L CA -0.285 54.553 54.840 -0.005 0.000 1.222 272 L CB -0.440 41.616 42.059 -0.006 0.000 1.493 272 L HN 0.244 nan 8.230 nan 0.000 0.415 273 T N -4.264 110.288 114.554 -0.004 0.000 3.051 273 T HA -0.065 4.285 4.350 0.000 0.000 0.269 273 T C 1.315 176.012 174.700 -0.004 0.000 1.127 273 T CA 0.592 62.689 62.100 -0.004 0.000 1.107 273 T CB -0.116 68.750 68.868 -0.003 0.000 0.898 273 T HN 0.350 nan 8.240 nan 0.000 0.517 274 N N 0.788 119.486 118.700 -0.005 0.000 2.336 274 N HA 0.229 4.969 4.740 0.000 0.000 0.189 274 N C 0.197 175.703 175.510 -0.007 0.000 1.113 274 N CA -0.027 53.020 53.050 -0.005 0.000 0.858 274 N CB -0.055 38.429 38.487 -0.005 0.000 0.970 274 N HN 0.468 nan 8.380 nan 0.000 0.471 275 L N 1.275 122.494 121.223 -0.007 0.000 2.499 275 L HA -0.020 4.320 4.340 0.000 0.000 0.273 275 L C 1.722 178.587 176.870 -0.008 0.000 1.195 275 L CA 0.373 55.208 54.840 -0.009 0.000 0.882 275 L CB 0.646 42.700 42.059 -0.009 0.000 1.133 275 L HN 0.168 nan 8.230 nan 0.000 0.483 276 T N -2.819 111.729 114.554 -0.010 0.000 2.955 276 T HA 0.107 4.457 4.350 0.000 0.000 0.251 276 T C 0.139 174.832 174.700 -0.012 0.000 1.002 276 T CA -0.241 61.853 62.100 -0.010 0.000 0.970 276 T CB 0.417 69.279 68.868 -0.010 0.000 1.091 276 T HN 0.456 nan 8.240 nan 0.000 0.495 277 D N 0.566 120.957 120.400 -0.015 0.000 2.686 277 D HA 0.522 5.162 4.640 0.000 0.000 0.249 277 D C -1.793 174.496 176.300 -0.020 0.000 1.260 277 D CA -0.572 53.416 54.000 -0.019 0.000 0.910 277 D CB 1.774 42.559 40.800 -0.025 0.000 1.323 277 D HN 0.241 nan 8.370 nan 0.000 0.561 278 L N 3.657 124.870 121.223 -0.017 0.000 2.406 278 L HA 0.568 4.908 4.340 0.000 0.000 0.272 278 L C -1.704 175.156 176.870 -0.017 0.000 0.980 278 L CA -0.442 54.388 54.840 -0.016 0.000 0.831 278 L CB 1.950 44.002 42.059 -0.012 0.000 1.253 278 L HN 0.230 nan 8.230 nan 0.000 0.406 279 D N 4.954 125.341 120.400 -0.021 0.000 2.471 279 D HA 0.382 5.022 4.640 0.000 0.000 0.245 279 D C -0.387 175.901 176.300 -0.020 0.000 1.116 279 D CA -0.078 53.910 54.000 -0.021 0.000 0.853 279 D CB 1.141 41.924 40.800 -0.028 0.000 1.123 279 D HN 0.646 nan 8.370 nan 0.000 0.540 280 L N 2.310 123.523 121.223 -0.017 0.000 3.168 280 L HA 0.460 4.800 4.340 0.000 0.000 0.277 280 L C 0.883 177.742 176.870 -0.018 0.000 1.245 280 L CA -0.537 54.292 54.840 -0.017 0.000 1.035 280 L CB 0.618 42.668 42.059 -0.014 0.000 1.399 280 L HN 0.322 nan 8.230 nan 0.000 0.580 281 A N 0.135 122.944 122.820 -0.018 0.000 2.425 281 A HA 0.257 4.577 4.320 0.000 0.000 0.242 281 A C 0.691 178.264 177.584 -0.019 0.000 1.077 281 A CA 0.041 52.067 52.037 -0.019 0.000 0.781 281 A CB 0.001 18.992 19.000 -0.015 0.000 1.020 281 A HN 0.593 nan 8.150 nan 0.000 0.494 282 N N 1.027 119.714 118.700 -0.021 0.000 2.726 282 N HA -0.129 4.611 4.740 0.000 0.000 0.253 282 N C -0.528 174.970 175.510 -0.020 0.000 1.059 282 N CA 1.077 54.114 53.050 -0.021 0.000 0.701 282 N CB -1.108 37.368 38.487 -0.019 0.000 0.899 282 N HN 0.778 nan 8.380 nan 0.000 0.548 283 N N 0.207 118.895 118.700 -0.019 0.000 3.513 283 N HA 0.311 5.051 4.740 0.000 0.000 0.351 283 N C -0.023 175.477 175.510 -0.016 0.000 1.624 283 N CA -0.351 52.689 53.050 -0.016 0.000 0.712 283 N CB 0.445 38.923 38.487 -0.015 0.000 2.106 283 N HN 0.147 nan 8.380 nan 0.000 0.649 284 Q N 0.601 120.393 119.800 -0.013 0.000 2.129 284 Q HA 0.467 4.807 4.340 0.000 0.000 0.274 284 Q C -0.649 175.346 176.000 -0.010 0.000 0.854 284 Q CA -0.097 55.700 55.803 -0.011 0.000 1.123 284 Q CB 0.617 29.349 28.738 -0.010 0.000 1.226 284 Q HN 0.425 nan 8.270 nan 0.000 0.454 285 I N 0.905 121.469 120.570 -0.011 0.000 2.529 285 I HA 0.017 4.187 4.170 0.000 0.000 0.284 285 I C 1.186 177.298 176.117 -0.008 0.000 1.082 285 I CA 0.254 61.549 61.300 -0.009 0.000 1.406 285 I CB 1.256 39.250 38.000 -0.010 0.000 1.405 285 I HN 0.229 nan 8.210 nan 0.000 0.548 286 S N 2.953 118.649 115.700 -0.006 0.000 2.670 286 S HA 0.086 4.556 4.470 0.000 0.000 0.241 286 S C 0.553 175.150 174.600 -0.004 0.000 1.077 286 S CA -0.332 57.865 58.200 -0.005 0.000 0.899 286 S CB 0.011 63.209 63.200 -0.003 0.000 0.835 286 S HN 0.642 nan 8.310 nan 0.000 0.481 287 N N 1.712 120.410 118.700 -0.004 0.000 2.500 287 N HA 0.390 5.131 4.740 0.000 0.000 0.236 287 N C 0.185 175.692 175.510 -0.004 0.000 1.022 287 N CA -0.438 52.610 53.050 -0.004 0.000 0.935 287 N CB 0.482 38.967 38.487 -0.003 0.000 1.147 287 N HN 0.356 nan 8.380 nan 0.000 0.512 288 L N 2.330 123.550 121.223 -0.005 0.000 2.592 288 L HA 0.216 4.556 4.340 0.000 0.000 0.227 288 L C 2.089 178.956 176.870 -0.004 0.000 1.127 288 L CA 0.130 54.967 54.840 -0.005 0.000 0.884 288 L CB -0.274 41.782 42.059 -0.005 0.000 1.065 288 L HN 0.553 nan 8.230 nan 0.000 0.457 289 A N 1.569 124.387 122.820 -0.004 0.000 1.927 289 A HA -0.178 4.143 4.320 0.000 0.000 0.220 289 A C -0.056 177.526 177.584 -0.003 0.000 1.185 289 A CA 1.876 53.912 52.037 -0.003 0.000 0.639 289 A CB -1.718 17.281 19.000 -0.003 0.000 0.820 289 A HN 0.290 nan 8.150 nan 0.000 0.451 290 P HA -0.100 nan 4.420 nan 0.000 0.221 290 P C 1.050 178.348 177.300 -0.004 0.000 1.145 290 P CA 0.777 63.875 63.100 -0.004 0.000 0.795 290 P CB -0.092 31.606 31.700 -0.004 0.000 0.775 291 L N -1.164 120.056 121.223 -0.004 0.000 2.509 291 L HA -0.016 4.324 4.340 0.000 0.000 0.222 291 L C 2.330 179.198 176.870 -0.003 0.000 1.123 291 L CA 0.923 55.761 54.840 -0.004 0.000 0.856 291 L CB -0.916 41.140 42.059 -0.004 0.000 0.985 291 L HN 0.094 nan 8.230 nan 0.000 0.456 292 S N 0.212 115.910 115.700 -0.003 0.000 2.400 292 S HA -0.147 4.323 4.470 0.000 0.000 0.232 292 S C 1.826 176.424 174.600 -0.002 0.000 1.025 292 S CA 1.271 59.469 58.200 -0.003 0.000 0.993 292 S CB -0.708 62.491 63.200 -0.003 0.000 0.808 292 S HN 0.441 nan 8.310 nan 0.000 0.478 293 G N 0.445 109.244 108.800 -0.002 0.000 3.042 293 G HA2 0.373 4.333 3.960 0.000 0.000 0.212 293 G HA3 0.373 4.333 3.960 0.000 0.000 0.212 293 G C 0.509 175.407 174.900 -0.002 0.000 1.166 293 G CA -0.423 44.676 45.100 -0.002 0.000 0.767 293 G HN 0.512 nan 8.290 nan 0.000 0.546 294 L N 2.851 124.073 121.223 -0.003 0.000 2.533 294 L HA 0.122 4.462 4.340 0.000 0.000 0.239 294 L C 2.009 178.878 176.870 -0.002 0.000 1.376 294 L CA -0.067 54.772 54.840 -0.003 0.000 1.240 294 L CB -0.253 41.804 42.059 -0.004 0.000 1.487 294 L HN 0.213 nan 8.230 nan 0.000 0.419 295 T N -4.090 110.463 114.554 -0.002 0.000 3.118 295 T HA -0.069 4.281 4.350 0.000 0.000 0.260 295 T C 1.402 176.101 174.700 -0.001 0.000 1.139 295 T CA 0.425 62.524 62.100 -0.001 0.000 1.085 295 T CB -0.081 68.786 68.868 -0.001 0.000 0.934 295 T HN 0.387 nan 8.240 nan 0.000 0.518 296 K N 0.680 121.079 120.400 -0.002 0.000 2.444 296 K HA 0.289 4.609 4.320 0.000 0.000 0.193 296 K C 0.238 176.836 176.600 -0.003 0.000 1.024 296 K CA -0.118 56.167 56.287 -0.003 0.000 1.077 296 K CB -0.082 32.416 32.500 -0.004 0.000 0.833 296 K HN 0.401 nan 8.250 nan 0.000 0.517 297 L N 2.188 123.409 121.223 -0.002 0.000 2.534 297 L HA -0.035 4.305 4.340 0.000 0.000 0.271 297 L C 1.517 178.387 176.870 0.001 0.000 1.178 297 L CA 0.200 55.039 54.840 -0.002 0.000 0.907 297 L CB 0.554 42.613 42.059 -0.001 0.000 1.164 297 L HN 0.264 nan 8.230 nan 0.000 0.482 298 T N -1.341 113.212 114.554 -0.000 0.000 2.969 298 T HA 0.202 4.552 4.350 0.000 0.000 0.250 298 T C 0.488 175.192 174.700 0.006 0.000 1.021 298 T CA -0.202 61.900 62.100 0.003 0.000 1.003 298 T CB 0.389 69.256 68.868 -0.001 0.000 1.040 298 T HN 0.537 nan 8.240 nan 0.000 0.492 299 E N 0.749 120.950 120.200 0.001 0.000 2.246 299 E HA 0.602 4.952 4.350 0.000 0.000 0.266 299 E C -2.086 174.517 176.600 0.004 0.000 0.880 299 E CA -0.892 55.511 56.400 0.004 0.000 0.762 299 E CB 2.681 32.373 29.700 -0.014 0.000 1.180 299 E HN 0.145 nan 8.360 nan 0.000 0.416 300 L N 2.469 123.702 121.223 0.016 0.000 2.441 300 L HA 0.399 4.739 4.340 0.000 0.000 0.270 300 L C -1.581 175.299 176.870 0.017 0.000 0.973 300 L CA -0.380 54.467 54.840 0.011 0.000 0.842 300 L CB 1.398 43.462 42.059 0.009 0.000 1.239 300 L HN 0.350 nan 8.230 nan 0.000 0.406 301 K N 6.023 126.427 120.400 0.006 0.000 2.307 301 K HA 0.562 4.882 4.320 0.000 0.000 0.263 301 K C -0.201 176.396 176.600 -0.006 0.000 0.973 301 K CA -0.316 55.975 56.287 0.006 0.000 0.846 301 K CB 1.628 34.128 32.500 0.001 0.000 1.100 301 K HN 0.660 nan 8.250 nan 0.000 0.438 302 L N 1.978 123.194 121.223 -0.012 0.000 3.333 302 L HA 0.217 4.557 4.340 0.000 0.000 0.299 302 L C 0.767 177.616 176.870 -0.035 0.000 1.256 302 L CA -0.435 54.392 54.840 -0.020 0.000 1.037 302 L CB 1.209 43.258 42.059 -0.017 0.000 1.423 302 L HN 0.718 nan 8.230 nan 0.000 0.605 303 G N -0.009 108.764 108.800 -0.046 0.000 2.554 303 G HA2 0.342 4.302 3.960 0.000 0.000 0.238 303 G HA3 0.342 4.302 3.960 0.000 0.000 0.238 303 G C 0.793 175.659 174.900 -0.055 0.000 1.259 303 G CA 0.449 45.502 45.100 -0.078 0.000 0.843 303 G HN 0.448 nan 8.290 nan 0.000 0.582 304 A N 1.018 123.800 122.820 -0.062 0.000 2.475 304 A HA -0.150 4.170 4.320 0.000 0.000 0.295 304 A C 0.595 178.159 177.584 -0.033 0.000 1.457 304 A CA 0.944 52.954 52.037 -0.045 0.000 0.734 304 A CB -1.941 17.036 19.000 -0.037 0.000 1.118 304 A HN 0.795 nan 8.150 nan 0.000 0.400 305 N N -0.895 117.787 118.700 -0.030 0.000 3.513 305 N HA 0.526 5.266 4.740 0.000 0.000 0.351 305 N C 0.112 175.612 175.510 -0.016 0.000 1.624 305 N CA -0.485 52.552 53.050 -0.021 0.000 0.712 305 N CB 0.695 39.170 38.487 -0.020 0.000 2.106 305 N HN 0.472 nan 8.380 nan 0.000 0.649 306 Q N 0.739 120.532 119.800 -0.011 0.000 2.217 306 Q HA 0.465 4.805 4.340 0.000 0.000 0.340 306 Q C -0.796 175.202 176.000 -0.004 0.000 0.893 306 Q CA -0.082 55.718 55.803 -0.006 0.000 1.142 306 Q CB 0.513 29.248 28.738 -0.005 0.000 1.288 306 Q HN 0.408 nan 8.270 nan 0.000 0.426 307 I N 0.749 121.316 120.570 -0.006 0.000 2.365 307 I HA 0.078 4.248 4.170 0.000 0.000 0.291 307 I C 1.107 177.224 176.117 -0.001 0.000 1.004 307 I CA 0.120 61.418 61.300 -0.005 0.000 1.311 307 I CB 1.501 39.496 38.000 -0.009 0.000 1.401 307 I HN 0.216 nan 8.210 nan 0.000 0.491 308 S N 2.781 118.482 115.700 0.001 0.000 2.589 308 S HA 0.170 4.640 4.470 0.000 0.000 0.235 308 S C 0.358 174.959 174.600 0.001 0.000 1.051 308 S CA -0.345 57.857 58.200 0.003 0.000 0.978 308 S CB 0.075 63.278 63.200 0.005 0.000 0.929 308 S HN 0.627 nan 8.310 nan 0.000 0.523 309 N N 1.872 120.571 118.700 -0.001 0.000 2.483 309 N HA 0.416 5.156 4.740 0.000 0.000 0.267 309 N C 0.035 175.543 175.510 -0.004 0.000 0.998 309 N CA -0.803 52.246 53.050 -0.003 0.000 0.918 309 N CB 1.332 39.818 38.487 -0.002 0.000 1.215 309 N HN 0.508 nan 8.380 nan 0.000 0.500 310 I N 0.223 120.790 120.570 -0.005 0.000 3.941 310 I HA 0.311 4.482 4.170 0.000 0.000 0.335 310 I C 0.888 177.002 176.117 -0.006 0.000 1.402 310 I CA -0.286 61.011 61.300 -0.006 0.000 1.112 310 I CB 0.288 38.283 38.000 -0.008 0.000 1.043 310 I HN 0.139 nan 8.210 nan 0.000 0.395 311 S N 2.657 118.354 115.700 -0.005 0.000 2.374 311 S HA -0.076 4.395 4.470 0.000 0.000 0.227 311 S C -0.378 174.220 174.600 -0.004 0.000 1.037 311 S CA 1.924 60.121 58.200 -0.005 0.000 1.024 311 S CB -1.165 62.032 63.200 -0.005 0.000 0.861 311 S HN 0.455 nan 8.310 nan 0.000 0.456 312 P HA -0.028 nan 4.420 nan 0.000 0.223 312 P C 0.841 178.138 177.300 -0.003 0.000 1.144 312 P CA 0.835 63.933 63.100 -0.004 0.000 0.783 312 P CB -0.123 31.575 31.700 -0.004 0.000 0.771 313 L N -2.083 119.138 121.223 -0.004 0.000 2.492 313 L HA 0.094 4.434 4.340 0.000 0.000 0.223 313 L C 2.305 179.174 176.870 -0.003 0.000 1.132 313 L CA 0.462 55.300 54.840 -0.003 0.000 0.850 313 L CB -0.948 41.110 42.059 -0.003 0.000 0.966 313 L HN -0.057 nan 8.230 nan 0.000 0.454 314 A N 1.107 123.924 122.820 -0.004 0.000 1.958 314 A HA -0.194 4.126 4.320 0.000 0.000 0.221 314 A C 2.235 179.818 177.584 -0.003 0.000 1.178 314 A CA 2.033 54.067 52.037 -0.004 0.000 0.642 314 A CB -0.975 18.022 19.000 -0.005 0.000 0.816 314 A HN 0.450 nan 8.150 nan 0.000 0.453 315 G N -1.235 107.563 108.800 -0.002 0.000 2.985 315 G HA2 0.334 4.294 3.960 0.000 0.000 0.209 315 G HA3 0.334 4.294 3.960 0.000 0.000 0.209 315 G C 0.625 175.524 174.900 -0.001 0.000 1.165 315 G CA -0.195 44.904 45.100 -0.002 0.000 0.776 315 G HN 0.405 nan 8.290 nan 0.000 0.541 316 L N 2.741 123.964 121.223 -0.000 0.000 2.727 316 L HA 0.123 4.463 4.340 0.000 0.000 0.237 316 L C 2.034 178.906 176.870 0.003 0.000 1.370 316 L CA -0.034 54.806 54.840 0.001 0.000 1.248 316 L CB -0.331 41.729 42.059 0.002 0.000 1.556 316 L HN 0.210 nan 8.230 nan 0.000 0.420 317 T N -3.937 110.618 114.554 0.002 0.000 3.113 317 T HA -0.045 4.305 4.350 0.000 0.000 0.263 317 T C 1.619 176.322 174.700 0.005 0.000 1.143 317 T CA 0.760 62.862 62.100 0.003 0.000 1.090 317 T CB 0.219 69.088 68.868 0.002 0.000 0.922 317 T HN 0.456 nan 8.240 nan 0.000 0.521 318 A N 0.815 123.638 122.820 0.005 0.000 2.218 318 A HA 0.475 4.795 4.320 0.000 0.000 0.209 318 A C 0.976 178.565 177.584 0.009 0.000 1.168 318 A CA -0.345 51.695 52.037 0.006 0.000 0.804 318 A CB -0.462 18.540 19.000 0.003 0.000 0.834 318 A HN 0.572 nan 8.150 nan 0.000 0.482 319 L N 0.989 122.219 121.223 0.012 0.000 2.559 319 L HA 0.032 4.372 4.340 0.000 0.000 0.274 319 L C 1.820 178.706 176.870 0.027 0.000 1.205 319 L CA 0.492 55.343 54.840 0.019 0.000 0.907 319 L CB 0.736 42.808 42.059 0.021 0.000 1.153 319 L HN 0.525 nan 8.230 nan 0.000 0.490 320 T N -1.674 112.900 114.554 0.033 0.000 2.978 320 T HA 0.147 4.498 4.350 0.000 0.000 0.248 320 T C 0.585 175.336 174.700 0.084 0.000 1.018 320 T CA -0.211 61.917 62.100 0.046 0.000 1.026 320 T CB 0.215 69.102 68.868 0.031 0.000 1.032 320 T HN 0.455 nan 8.240 nan 0.000 0.485 321 N N 0.981 119.731 118.700 0.085 0.000 2.354 321 N HA 0.705 5.445 4.740 0.000 0.000 0.287 321 N C -1.940 173.647 175.510 0.129 0.000 1.016 321 N CA -0.622 52.523 53.050 0.157 0.000 0.871 321 N CB 2.234 40.785 38.487 0.106 0.000 1.299 321 N HN 0.250 nan 8.380 nan 0.000 0.482 322 L N 0.938 122.254 121.223 0.155 0.000 2.438 322 L HA 0.502 4.842 4.340 0.000 0.000 0.270 322 L C -1.170 175.751 176.870 0.084 0.000 0.972 322 L CA -0.330 54.562 54.840 0.087 0.000 0.831 322 L CB 1.656 43.742 42.059 0.045 0.000 1.273 322 L HN 0.499 nan 8.230 nan 0.000 0.405 323 E N 6.070 126.306 120.200 0.061 0.000 2.165 323 E HA 0.413 4.763 4.350 0.000 0.000 0.266 323 E C -0.349 176.232 176.600 -0.033 0.000 0.889 323 E CA -0.304 56.108 56.400 0.021 0.000 0.756 323 E CB 2.056 31.786 29.700 0.051 0.000 1.131 323 E HN 0.664 nan 8.360 nan 0.000 0.411 324 L N 2.530 123.708 121.223 -0.075 0.000 3.298 324 L HA 0.099 4.439 4.340 0.000 0.000 0.296 324 L C 0.394 177.180 176.870 -0.141 0.000 1.237 324 L CA -0.325 54.468 54.840 -0.079 0.000 1.038 324 L CB 0.156 42.189 42.059 -0.042 0.000 1.423 324 L HN 0.484 nan 8.230 nan 0.000 0.605 325 N N 1.048 119.572 118.700 -0.293 0.000 2.344 325 N HA -0.098 4.642 4.740 0.000 0.000 0.236 325 N C -0.198 175.158 175.510 -0.258 0.000 1.279 325 N CA 0.102 52.844 53.050 -0.514 0.000 0.882 325 N CB 0.377 38.009 38.487 -1.424 0.000 1.110 325 N HN 0.133 nan 8.380 nan 0.000 0.436 326 E N -1.358 118.775 120.200 -0.111 0.000 2.252 326 E HA -0.210 4.140 4.350 0.000 0.000 0.218 326 E C -0.647 175.945 176.600 -0.014 0.000 1.253 326 E CA 0.449 56.850 56.400 0.002 0.000 0.705 326 E CB -1.027 28.647 29.700 -0.044 0.000 1.172 326 E HN 0.595 nan 8.360 nan 0.000 0.369 327 N N -0.120 118.583 118.700 0.005 0.000 3.369 327 N HA 0.335 5.075 4.740 0.000 0.000 0.362 327 N C -0.217 175.309 175.510 0.027 0.000 1.523 327 N CA -0.494 52.558 53.050 0.003 0.000 0.684 327 N CB 0.683 39.162 38.487 -0.013 0.000 1.796 327 N HN -0.015 nan 8.380 nan 0.000 0.641 328 Q N 0.836 120.648 119.800 0.021 0.000 2.217 328 Q HA 0.463 4.803 4.340 0.000 0.000 0.340 328 Q C -0.856 175.159 176.000 0.025 0.000 0.893 328 Q CA -0.076 55.745 55.803 0.029 0.000 1.142 328 Q CB 0.384 29.137 28.738 0.024 0.000 1.288 328 Q HN 0.324 nan 8.270 nan 0.000 0.426 329 L N 0.181 121.419 121.223 0.024 0.000 2.380 329 L HA 0.215 4.555 4.340 0.000 0.000 0.273 329 L C 1.048 177.931 176.870 0.022 0.000 1.138 329 L CA 0.344 55.194 54.840 0.017 0.000 0.832 329 L CB 0.943 43.008 42.059 0.010 0.000 1.124 329 L HN 0.388 nan 8.230 nan 0.000 0.454 330 E N 0.451 120.659 120.200 0.013 0.000 3.249 330 E HA -0.003 4.347 4.350 0.000 0.000 0.184 330 E C -0.366 176.235 176.600 0.001 0.000 1.163 330 E CA -0.291 56.117 56.400 0.012 0.000 1.353 330 E CB 0.469 30.177 29.700 0.014 0.000 1.466 330 E HN 0.575 nan 8.360 nan 0.000 0.502 331 D N 1.714 122.113 120.400 -0.002 0.000 2.374 331 D HA 0.048 4.688 4.640 0.000 0.000 0.240 331 D C 0.399 176.692 176.300 -0.012 0.000 1.229 331 D CA -0.059 53.936 54.000 -0.008 0.000 0.895 331 D CB 0.413 41.209 40.800 -0.006 0.000 1.046 331 D HN 0.243 nan 8.370 nan 0.000 0.498 332 I N 0.841 121.399 120.570 -0.020 0.000 3.941 332 I HA 0.114 4.284 4.170 0.000 0.000 0.335 332 I C 1.493 177.593 176.117 -0.027 0.000 1.402 332 I CA -0.365 60.921 61.300 -0.024 0.000 1.112 332 I CB 0.041 38.022 38.000 -0.031 0.000 1.043 332 I HN 0.164 nan 8.210 nan 0.000 0.395 333 S N 1.905 117.590 115.700 -0.025 0.000 2.392 333 S HA -0.072 4.398 4.470 0.000 0.000 0.232 333 S C -0.371 174.217 174.600 -0.020 0.000 1.041 333 S CA 1.236 59.422 58.200 -0.024 0.000 1.026 333 S CB -2.162 61.026 63.200 -0.020 0.000 0.845 333 S HN 0.403 nan 8.310 nan 0.000 0.465 334 P HA 0.087 nan 4.420 nan 0.000 0.225 334 P C 1.336 178.628 177.300 -0.013 0.000 1.148 334 P CA 0.602 63.695 63.100 -0.013 0.000 0.779 334 P CB -0.150 31.544 31.700 -0.010 0.000 0.780 335 I N -0.229 120.331 120.570 -0.017 0.000 2.567 335 I HA -0.223 3.947 4.170 0.000 0.000 0.257 335 I C 1.927 178.033 176.117 -0.017 0.000 1.184 335 I CA 1.231 62.521 61.300 -0.017 0.000 1.451 335 I CB -0.188 37.798 38.000 -0.023 0.000 1.089 335 I HN 0.051 nan 8.210 nan 0.000 0.441 336 S N 0.275 115.963 115.700 -0.020 0.000 2.469 336 S HA -0.163 4.307 4.470 0.000 0.000 0.238 336 S C 1.636 176.228 174.600 -0.013 0.000 0.998 336 S CA 1.012 59.200 58.200 -0.020 0.000 0.957 336 S CB -0.556 62.631 63.200 -0.022 0.000 0.764 336 S HN 0.507 nan 8.310 nan 0.000 0.514 337 N N 1.557 120.251 118.700 -0.010 0.000 2.396 337 N HA 0.085 4.825 4.740 0.000 0.000 0.180 337 N C 0.337 175.845 175.510 -0.004 0.000 1.028 337 N CA 0.623 53.669 53.050 -0.007 0.000 0.893 337 N CB -0.267 38.217 38.487 -0.006 0.000 0.967 337 N HN 0.505 nan 8.380 nan 0.000 0.440 338 L N 2.084 123.305 121.223 -0.003 0.000 2.480 338 L HA 0.170 4.510 4.340 0.000 0.000 0.243 338 L C 1.096 177.968 176.870 0.004 0.000 1.315 338 L CA -0.272 54.569 54.840 0.002 0.000 1.231 338 L CB 0.095 42.157 42.059 0.004 0.000 1.444 338 L HN -0.243 nan 8.230 nan 0.000 0.409 339 K N 0.477 120.878 120.400 0.003 0.000 2.360 339 K HA -0.067 4.253 4.320 0.000 0.000 0.201 339 K C 0.976 177.581 176.600 0.009 0.000 1.046 339 K CA 0.821 57.110 56.287 0.004 0.000 0.945 339 K CB 0.025 32.526 32.500 0.002 0.000 0.750 339 K HN 0.498 nan 8.250 nan 0.000 0.464 340 N N 0.586 119.293 118.700 0.012 0.000 2.280 340 N HA 0.057 4.797 4.740 0.000 0.000 0.192 340 N C 0.313 175.839 175.510 0.026 0.000 1.109 340 N CA -0.009 53.051 53.050 0.016 0.000 0.855 340 N CB 0.420 38.915 38.487 0.014 0.000 0.974 340 N HN 0.138 nan 8.380 nan 0.000 0.482 341 L N 1.421 122.661 121.223 0.028 0.000 2.540 341 L HA -0.014 4.326 4.340 0.000 0.000 0.276 341 L C 1.615 178.517 176.870 0.053 0.000 1.212 341 L CA 0.414 55.281 54.840 0.044 0.000 0.893 341 L CB 0.539 42.620 42.059 0.037 0.000 1.138 341 L HN 0.174 nan 8.230 nan 0.000 0.491 342 T N -0.648 113.955 114.554 0.082 0.000 2.959 342 T HA 0.085 4.435 4.350 0.000 0.000 0.254 342 T C -0.187 174.610 174.700 0.162 0.000 1.003 342 T CA -0.094 62.062 62.100 0.094 0.000 0.950 342 T CB 0.125 69.039 68.868 0.076 0.000 1.090 342 T HN 0.363 nan 8.240 nan 0.000 0.503 343 Y N 0.822 121.144 120.300 0.037 0.000 2.354 343 Y HA 0.677 5.227 4.550 0.000 0.000 0.330 343 Y C -1.924 174.033 175.900 0.095 0.000 1.011 343 Y CA -1.877 56.265 58.100 0.070 0.000 1.099 343 Y CB 1.761 40.240 38.460 0.031 0.000 1.179 343 Y HN 0.211 nan 8.280 nan 0.000 0.442 344 L N 6.181 127.210 121.223 -0.324 0.000 2.493 344 L HA 0.700 5.040 4.340 0.000 0.000 0.265 344 L C -1.159 175.634 176.870 -0.129 0.000 0.954 344 L CA -0.161 54.583 54.840 -0.160 0.000 0.844 344 L CB 2.346 44.389 42.059 -0.026 0.000 1.302 344 L HN 0.718 nan 8.230 nan 0.000 0.405 345 T N 2.317 116.827 114.554 -0.073 0.000 2.829 345 T HA 0.690 5.040 4.350 0.000 0.000 0.280 345 T C 0.111 174.811 174.700 0.001 0.000 0.999 345 T CA -0.548 61.580 62.100 0.046 0.000 0.983 345 T CB 1.336 70.193 68.868 -0.019 0.000 0.968 345 T HN 0.598 nan 8.240 nan 0.000 0.446 346 L N 1.097 122.374 121.223 0.090 0.000 3.520 346 L HA 0.282 4.622 4.340 0.000 0.000 0.323 346 L C -0.294 176.637 176.870 0.103 0.000 1.246 346 L CA -1.017 53.858 54.840 0.059 0.000 1.085 346 L CB 0.066 42.194 42.059 0.116 0.000 1.477 346 L HN 0.794 nan 8.230 nan 0.000 0.624 347 Y N -1.767 118.648 120.300 0.191 0.000 2.457 347 Y HA 0.388 4.938 4.550 0.000 0.000 0.341 347 Y C 0.259 176.294 175.900 0.226 0.000 1.240 347 Y CA -1.224 56.972 58.100 0.161 0.000 1.437 347 Y CB -0.216 38.340 38.460 0.160 0.000 1.328 347 Y HN 0.056 nan 8.280 nan 0.000 0.588 348 F N 1.343 121.450 119.950 0.263 0.000 2.807 348 F HA -0.281 4.246 4.527 0.000 0.000 0.297 348 F C -0.177 175.660 175.800 0.062 0.000 1.024 348 F CA 0.723 58.810 58.000 0.145 0.000 1.008 348 F CB -1.387 37.710 39.000 0.163 0.000 1.142 348 F HN 0.771 nan 8.300 nan 0.000 0.829 349 N N -0.095 118.710 118.700 0.175 0.000 3.455 349 N HA 0.363 5.103 4.740 0.000 0.000 0.358 349 N C -0.150 175.422 175.510 0.102 0.000 1.580 349 N CA -0.671 52.450 53.050 0.119 0.000 0.692 349 N CB 0.815 39.348 38.487 0.077 0.000 1.978 349 N HN 0.140 nan 8.380 nan 0.000 0.651 350 N N 0.500 119.245 118.700 0.076 0.000 2.541 350 N HA 0.369 5.109 4.740 0.000 0.000 0.297 350 N C -1.355 174.187 175.510 0.053 0.000 1.503 350 N CA -0.110 52.979 53.050 0.066 0.000 0.919 350 N CB -0.241 38.279 38.487 0.056 0.000 1.305 350 N HN 0.388 nan 8.380 nan 0.000 0.501 351 I N 0.717 121.323 120.570 0.059 0.000 2.371 351 I HA 0.128 4.298 4.170 0.000 0.000 0.290 351 I C 1.214 177.356 176.117 0.042 0.000 1.028 351 I CA -0.222 61.101 61.300 0.039 0.000 1.345 351 I CB 1.478 39.494 38.000 0.027 0.000 1.407 351 I HN 0.234 nan 8.210 nan 0.000 0.501 352 S N 1.957 117.670 115.700 0.021 0.000 2.505 352 S HA 0.105 4.575 4.470 0.000 0.000 0.216 352 S C 0.301 174.894 174.600 -0.011 0.000 1.018 352 S CA -0.261 57.950 58.200 0.018 0.000 0.911 352 S CB 0.171 63.383 63.200 0.021 0.000 0.818 352 S HN 0.651 nan 8.310 nan 0.000 0.497 353 D N 0.823 121.205 120.400 -0.031 0.000 2.461 353 D HA 0.407 5.048 4.640 0.000 0.000 0.240 353 D C 0.128 176.369 176.300 -0.099 0.000 1.094 353 D CA -0.625 53.341 54.000 -0.057 0.000 0.868 353 D CB 1.053 41.828 40.800 -0.042 0.000 1.062 353 D HN 0.077 nan 8.370 nan 0.000 0.530 354 I N 2.832 123.308 120.570 -0.156 0.000 3.251 354 I HA -0.092 4.078 4.170 0.000 0.000 0.277 354 I C 2.055 178.051 176.117 -0.200 0.000 1.268 354 I CA 0.728 61.869 61.300 -0.266 0.000 1.449 354 I CB -0.171 37.520 38.000 -0.515 0.000 1.083 354 I HN 0.452 nan 8.210 nan 0.000 0.464 355 S N 1.009 116.630 115.700 -0.131 0.000 2.402 355 S HA -0.075 4.395 4.470 0.000 0.000 0.233 355 S C -0.254 174.295 174.600 -0.085 0.000 1.030 355 S CA 1.001 59.142 58.200 -0.098 0.000 1.003 355 S CB -1.983 61.175 63.200 -0.069 0.000 0.813 355 S HN 0.293 nan 8.310 nan 0.000 0.477 356 P HA -0.062 nan 4.420 nan 0.000 0.218 356 P C 1.871 179.130 177.300 -0.068 0.000 1.146 356 P CA 1.343 64.404 63.100 -0.064 0.000 0.813 356 P CB -0.355 31.311 31.700 -0.058 0.000 0.778 357 V N -2.241 117.614 119.914 -0.098 0.000 3.041 357 V HA -0.124 3.996 4.120 0.000 0.000 0.260 357 V C 2.085 178.138 176.094 -0.070 0.000 1.105 357 V CA 1.918 64.164 62.300 -0.090 0.000 1.125 357 V CB -1.651 30.093 31.823 -0.131 0.000 0.730 357 V HN 0.177 nan 8.190 nan 0.000 0.479 358 S N 0.741 116.397 115.700 -0.073 0.000 2.474 358 S HA -0.127 4.343 4.470 0.000 0.000 0.235 358 S C 1.853 176.432 174.600 -0.035 0.000 0.997 358 S CA 1.446 59.614 58.200 -0.053 0.000 0.949 358 S CB -0.760 62.407 63.200 -0.055 0.000 0.766 358 S HN 0.664 nan 8.310 nan 0.000 0.517 359 S N 1.713 117.393 115.700 -0.033 0.000 2.453 359 S HA 0.212 4.682 4.470 0.000 0.000 0.231 359 S C 0.752 175.343 174.600 -0.015 0.000 1.005 359 S CA 0.420 58.607 58.200 -0.022 0.000 0.949 359 S CB -0.475 62.712 63.200 -0.022 0.000 0.774 359 S HN 0.538 nan 8.310 nan 0.000 0.510 360 L N 3.237 124.450 121.223 -0.017 0.000 2.423 360 L HA 0.169 4.509 4.340 0.000 0.000 0.249 360 L C 1.686 178.555 176.870 -0.001 0.000 1.276 360 L CA -0.289 54.547 54.840 -0.007 0.000 1.199 360 L CB -0.586 41.468 42.059 -0.008 0.000 1.407 360 L HN 0.266 nan 8.230 nan 0.000 0.410 361 T N -3.325 111.229 114.554 0.000 0.000 3.035 361 T HA -0.065 4.285 4.350 0.000 0.000 0.268 361 T C 1.540 176.246 174.700 0.011 0.000 1.109 361 T CA 0.496 62.597 62.100 0.003 0.000 1.119 361 T CB 0.011 68.880 68.868 0.001 0.000 0.900 361 T HN 0.247 nan 8.240 nan 0.000 0.503 362 K N 0.900 121.309 120.400 0.015 0.000 2.444 362 K HA 0.322 4.642 4.320 0.000 0.000 0.193 362 K C 0.718 177.337 176.600 0.031 0.000 1.024 362 K CA -0.174 56.126 56.287 0.022 0.000 1.077 362 K CB -0.405 32.108 32.500 0.022 0.000 0.833 362 K HN 0.459 nan 8.250 nan 0.000 0.517 363 L N 1.825 123.065 121.223 0.029 0.000 2.601 363 L HA -0.125 4.215 4.340 0.000 0.000 0.277 363 L C 1.478 178.376 176.870 0.046 0.000 1.219 363 L CA 0.557 55.419 54.840 0.037 0.000 0.915 363 L CB 0.298 42.372 42.059 0.025 0.000 1.160 363 L HN 0.190 nan 8.230 nan 0.000 0.494 364 Q N 2.849 122.686 119.800 0.062 0.000 2.431 364 Q HA 0.238 4.578 4.340 0.000 0.000 0.244 364 Q C -0.139 175.909 176.000 0.080 0.000 0.880 364 Q CA 0.226 56.072 55.803 0.072 0.000 0.954 364 Q CB 0.890 29.669 28.738 0.068 0.000 1.105 364 Q HN 0.541 nan 8.270 nan 0.000 0.558 365 R N 0.825 121.368 120.500 0.071 0.000 2.502 365 R HA 0.494 4.834 4.340 0.000 0.000 0.300 365 R C -1.779 174.483 176.300 -0.063 0.000 0.984 365 R CA -0.617 55.499 56.100 0.026 0.000 0.882 365 R CB 2.037 32.430 30.300 0.155 0.000 1.180 365 R HN -0.074 nan 8.270 nan 0.000 0.444 366 L N 3.732 124.845 121.223 -0.183 0.000 2.406 366 L HA 0.575 4.915 4.340 0.000 0.000 0.272 366 L C -1.798 174.968 176.870 -0.174 0.000 0.980 366 L CA -0.417 54.392 54.840 -0.052 0.000 0.831 366 L CB 1.333 43.438 42.059 0.077 0.000 1.253 366 L HN 0.452 nan 8.230 nan 0.000 0.406 367 F N 6.646 126.678 119.950 0.137 0.000 2.445 367 F HA 0.467 4.995 4.527 0.000 0.000 0.348 367 F C -0.075 175.919 175.800 0.323 0.000 1.125 367 F CA -0.524 57.589 58.000 0.188 0.000 0.983 367 F CB 1.184 40.327 39.000 0.238 0.000 1.198 367 F HN 0.458 nan 8.300 nan 0.000 0.436 368 F N 0.114 120.206 119.950 0.237 0.000 2.777 368 F HA 0.410 4.937 4.527 0.000 0.000 0.361 368 F C 0.212 176.093 175.800 0.135 0.000 1.254 368 F CA -1.072 57.036 58.000 0.180 0.000 1.181 368 F CB -0.749 38.303 39.000 0.088 0.000 1.082 368 F HN 0.198 nan 8.300 nan 0.000 0.510 369 S N 0.679 116.373 115.700 -0.010 0.000 2.569 369 S HA 0.096 4.567 4.470 0.000 0.000 0.274 369 S C 0.591 175.116 174.600 -0.124 0.000 1.353 369 S CA 0.086 58.228 58.200 -0.098 0.000 1.023 369 S CB 0.103 63.248 63.200 -0.090 0.000 0.876 369 S HN 0.576 nan 8.310 nan 0.000 0.540 370 N N 1.639 120.236 118.700 -0.172 0.000 2.746 370 N HA -0.140 4.600 4.740 0.000 0.000 0.250 370 N C -0.819 174.629 175.510 -0.104 0.000 1.055 370 N CA 0.672 53.519 53.050 -0.338 0.000 0.699 370 N CB -1.562 36.173 38.487 -1.254 0.000 0.919 370 N HN 0.726 nan 8.380 nan 0.000 0.548 371 N N 0.217 118.946 118.700 0.048 0.000 3.455 371 N HA 0.345 5.085 4.740 0.000 0.000 0.358 371 N C 0.186 175.769 175.510 0.122 0.000 1.580 371 N CA -0.427 52.690 53.050 0.113 0.000 0.692 371 N CB 0.727 39.330 38.487 0.193 0.000 1.978 371 N HN 0.033 nan 8.380 nan 0.000 0.651 372 K N 0.622 121.096 120.400 0.124 0.000 2.646 372 K HA 0.340 4.660 4.320 0.000 0.000 0.206 372 K C -0.772 175.892 176.600 0.106 0.000 1.069 372 K CA -0.109 56.245 56.287 0.112 0.000 1.067 372 K CB 0.906 33.457 32.500 0.085 0.000 0.807 372 K HN 0.139 nan 8.250 nan 0.000 0.482 373 V N 1.897 121.899 119.914 0.147 0.000 2.555 373 V HA -0.019 4.101 4.120 0.000 0.000 0.286 373 V C 1.234 177.387 176.094 0.098 0.000 1.044 373 V CA 0.336 62.711 62.300 0.126 0.000 1.026 373 V CB 1.208 33.163 31.823 0.221 0.000 0.981 373 V HN 0.437 nan 8.190 nan 0.000 0.480 374 S N 2.241 117.953 115.700 0.019 0.000 2.748 374 S HA 0.093 4.563 4.470 0.000 0.000 0.241 374 S C 0.642 175.211 174.600 -0.052 0.000 1.064 374 S CA -0.029 58.138 58.200 -0.055 0.000 0.892 374 S CB -0.009 63.108 63.200 -0.138 0.000 0.810 374 S HN 0.665 nan 8.310 nan 0.000 0.555 375 D N 2.797 123.168 120.400 -0.048 0.000 2.338 375 D HA 0.258 4.899 4.640 0.000 0.000 0.255 375 D C 0.839 177.121 176.300 -0.030 0.000 1.237 375 D CA 0.008 53.980 54.000 -0.047 0.000 0.883 375 D CB 1.454 42.224 40.800 -0.050 0.000 1.087 375 D HN 0.291 nan 8.370 nan 0.000 0.485 376 V N 1.646 121.549 119.914 -0.017 0.000 3.376 376 V HA 0.080 4.200 4.120 0.000 0.000 0.313 376 V C 1.700 177.780 176.094 -0.023 0.000 1.393 376 V CA 0.527 62.827 62.300 -0.000 0.000 1.125 376 V CB -0.460 31.399 31.823 0.061 0.000 1.037 376 V HN 0.465 nan 8.190 nan 0.000 0.440 377 S N 2.055 117.734 115.700 -0.034 0.000 2.400 377 S HA -0.232 4.238 4.470 0.000 0.000 0.232 377 S C 2.074 176.654 174.600 -0.034 0.000 1.025 377 S CA 1.787 59.967 58.200 -0.034 0.000 0.993 377 S CB -0.952 62.228 63.200 -0.034 0.000 0.808 377 S HN 1.050 nan 8.310 nan 0.000 0.478 378 S N 2.403 118.077 115.700 -0.043 0.000 2.442 378 S HA 0.086 4.556 4.470 0.000 0.000 0.236 378 S C 1.763 176.338 174.600 -0.043 0.000 1.007 378 S CA 0.835 59.007 58.200 -0.046 0.000 0.965 378 S CB -0.932 62.232 63.200 -0.060 0.000 0.773 378 S HN 0.589 nan 8.310 nan 0.000 0.504 379 L N 0.970 122.169 121.223 -0.040 0.000 2.465 379 L HA 0.103 4.443 4.340 0.000 0.000 0.224 379 L C 2.966 179.828 176.870 -0.013 0.000 1.145 379 L CA 0.685 55.511 54.840 -0.024 0.000 0.834 379 L CB -0.939 41.123 42.059 0.005 0.000 0.944 379 L HN 0.453 nan 8.230 nan 0.000 0.451 380 A N 0.561 123.370 122.820 -0.017 0.000 2.076 380 A HA -0.200 4.120 4.320 0.000 0.000 0.220 380 A C 1.916 179.493 177.584 -0.012 0.000 1.160 380 A CA 1.520 53.548 52.037 -0.015 0.000 0.653 380 A CB -0.452 18.537 19.000 -0.018 0.000 0.801 380 A HN 0.470 nan 8.150 nan 0.000 0.455 381 N N -0.163 118.528 118.700 -0.015 0.000 2.494 381 N HA 0.028 4.768 4.740 0.000 0.000 0.182 381 N C 0.159 175.665 175.510 -0.007 0.000 1.076 381 N CA 0.442 53.485 53.050 -0.012 0.000 0.908 381 N CB -0.097 38.379 38.487 -0.018 0.000 0.967 381 N HN 0.473 nan 8.380 nan 0.000 0.449 382 L N 2.039 123.260 121.223 -0.004 0.000 2.423 382 L HA 0.137 4.477 4.340 0.000 0.000 0.249 382 L C 1.528 178.404 176.870 0.010 0.000 1.276 382 L CA -0.211 54.632 54.840 0.004 0.000 1.199 382 L CB -0.248 41.816 42.059 0.008 0.000 1.407 382 L HN 0.052 nan 8.230 nan 0.000 0.410 383 T N -3.643 110.916 114.554 0.008 0.000 3.035 383 T HA -0.069 4.281 4.350 0.000 0.000 0.268 383 T C 1.280 175.991 174.700 0.018 0.000 1.109 383 T CA 0.663 62.769 62.100 0.010 0.000 1.119 383 T CB -0.049 68.823 68.868 0.007 0.000 0.900 383 T HN 0.410 nan 8.240 nan 0.000 0.503 384 N N 0.445 119.159 118.700 0.023 0.000 2.280 384 N HA 0.234 4.974 4.740 0.000 0.000 0.192 384 N C 0.166 175.704 175.510 0.046 0.000 1.109 384 N CA -0.217 52.852 53.050 0.033 0.000 0.855 384 N CB 0.150 38.656 38.487 0.031 0.000 0.974 384 N HN 0.393 nan 8.380 nan 0.000 0.482 385 I N 1.731 122.327 120.570 0.043 0.000 2.752 385 I HA -0.124 4.046 4.170 0.000 0.000 0.289 385 I C 0.939 177.106 176.117 0.083 0.000 1.197 385 I CA 0.714 62.049 61.300 0.058 0.000 1.432 385 I CB 0.344 38.369 38.000 0.042 0.000 1.359 385 I HN 0.077 nan 8.210 nan 0.000 0.571 386 N N 4.324 123.110 118.700 0.144 0.000 2.564 386 N HA 0.126 4.866 4.740 0.000 0.000 0.202 386 N C -1.077 174.620 175.510 0.310 0.000 1.052 386 N CA -0.111 53.078 53.050 0.232 0.000 0.872 386 N CB 0.108 38.793 38.487 0.331 0.000 1.303 386 N HN 0.408 nan 8.380 nan 0.000 0.440 387 W N 1.855 123.113 121.300 -0.070 0.000 2.471 387 W HA 0.580 5.240 4.660 0.000 0.000 0.318 387 W C -1.070 175.277 176.519 -0.287 0.000 1.034 387 W CA -0.778 56.468 57.345 -0.165 0.000 1.224 387 W CB 0.828 30.184 29.460 -0.173 0.000 1.335 387 W HN -0.152 nan 8.180 nan 0.000 0.452 388 L N 3.655 124.819 121.223 -0.099 0.000 2.415 388 L HA 0.568 4.908 4.340 0.000 0.000 0.268 388 L C -0.508 176.216 176.870 -0.245 0.000 0.984 388 L CA -0.260 54.487 54.840 -0.156 0.000 0.853 388 L CB 1.653 43.673 42.059 -0.065 0.000 1.215 388 L HN 0.237 nan 8.230 nan 0.000 0.419 389 S N 3.894 119.378 115.700 -0.360 0.000 2.520 389 S HA 0.805 5.275 4.470 0.000 0.000 0.324 389 S C 0.271 174.591 174.600 -0.467 0.000 1.069 389 S CA 0.224 58.240 58.200 -0.307 0.000 1.121 389 S CB 0.951 64.039 63.200 -0.187 0.000 0.971 389 S HN 0.870 nan 8.310 nan 0.000 0.463 390 A N 3.849 126.378 122.820 -0.485 0.000 2.568 390 A HA 0.613 4.933 4.320 0.000 0.000 0.287 390 A C 0.813 178.189 177.584 -0.347 0.000 0.967 390 A CA -0.118 51.458 52.037 -0.769 0.000 1.004 390 A CB -0.249 18.221 19.000 -0.883 0.000 1.233 390 A HN 0.891 nan 8.150 nan 0.000 0.513 391 G N -1.117 107.568 108.800 -0.190 0.000 2.636 391 G HA2 0.383 4.343 3.960 0.000 0.000 0.246 391 G HA3 0.383 4.343 3.960 0.000 0.000 0.246 391 G C 0.398 175.281 174.900 -0.028 0.000 1.216 391 G CA 0.096 45.136 45.100 -0.099 0.000 0.854 391 G HN 0.611 nan 8.290 nan 0.000 0.572 392 H N -0.573 118.467 119.070 -0.050 0.000 2.770 392 H HA -0.132 4.424 4.556 0.000 0.000 0.309 392 H C 0.564 175.884 175.328 -0.013 0.000 1.206 392 H CA 1.127 57.144 56.048 -0.051 0.000 1.147 392 H CB -1.267 28.417 29.762 -0.130 0.000 1.422 392 H HN 0.536 nan 8.280 nan 0.000 0.420 393 N N 0.180 118.949 118.700 0.116 0.000 3.223 393 N HA 0.225 4.965 4.740 0.000 0.000 0.350 393 N C 0.587 176.232 175.510 0.224 0.000 1.425 393 N CA -0.494 52.651 53.050 0.160 0.000 0.668 393 N CB 0.711 39.298 38.487 0.168 0.000 1.435 393 N HN 0.265 nan 8.380 nan 0.000 0.569 394 Q N 0.747 120.682 119.800 0.224 0.000 2.158 394 Q HA 0.433 4.773 4.340 0.000 0.000 0.306 394 Q C -0.741 175.281 176.000 0.038 0.000 0.878 394 Q CA -0.096 55.868 55.803 0.268 0.000 1.136 394 Q CB 0.598 29.441 28.738 0.175 0.000 1.253 394 Q HN 0.418 nan 8.270 nan 0.000 0.441 395 I N 1.342 122.027 120.570 0.191 0.000 2.416 395 I HA 0.010 4.180 4.170 0.000 0.000 0.288 395 I C 1.197 177.461 176.117 0.246 0.000 1.051 395 I CA 0.213 61.596 61.300 0.138 0.000 1.375 395 I CB 1.173 39.280 38.000 0.178 0.000 1.407 395 I HN 0.205 nan 8.210 nan 0.000 0.516 396 S N 2.099 117.768 115.700 -0.051 0.000 2.559 396 S HA 0.152 4.622 4.470 0.000 0.000 0.226 396 S C 0.092 174.792 174.600 0.167 0.000 1.030 396 S CA -0.325 57.883 58.200 0.013 0.000 0.956 396 S CB 0.293 63.201 63.200 -0.487 0.000 0.900 396 S HN 0.678 nan 8.310 nan 0.000 0.510 397 D N 0.677 121.103 120.400 0.043 0.000 2.602 397 D HA 0.365 5.005 4.640 0.000 0.000 0.245 397 D C 0.324 176.555 176.300 -0.114 0.000 1.325 397 D CA -0.484 53.505 54.000 -0.017 0.000 0.952 397 D CB 1.199 41.977 40.800 -0.036 0.000 1.317 397 D HN 0.136 nan 8.370 nan 0.000 0.577 398 L N 2.483 123.597 121.223 -0.182 0.000 2.558 398 L HA 0.033 4.373 4.340 0.000 0.000 0.225 398 L C 2.303 179.099 176.870 -0.124 0.000 1.128 398 L CA 0.717 55.416 54.840 -0.235 0.000 0.868 398 L CB -0.375 41.468 42.059 -0.360 0.000 1.006 398 L HN 0.500 nan 8.230 nan 0.000 0.454 399 T N -1.649 112.859 114.554 -0.077 0.000 2.737 399 T HA -0.131 4.219 4.350 0.000 0.000 0.269 399 T C -0.417 174.255 174.700 -0.046 0.000 1.040 399 T CA 0.979 63.049 62.100 -0.049 0.000 1.142 399 T CB -1.710 67.140 68.868 -0.031 0.000 0.861 399 T HN 0.187 nan 8.240 nan 0.000 0.456 400 P HA 0.162 nan 4.420 nan 0.000 0.226 400 P C 1.193 178.471 177.300 -0.037 0.000 1.153 400 P CA 0.608 63.685 63.100 -0.038 0.000 0.777 400 P CB -0.293 31.385 31.700 -0.037 0.000 0.794 401 L N -1.913 119.280 121.223 -0.050 0.000 2.558 401 L HA 0.171 4.511 4.340 0.000 0.000 0.225 401 L C 2.274 179.119 176.870 -0.043 0.000 1.128 401 L CA 0.302 55.114 54.840 -0.047 0.000 0.868 401 L CB -0.854 41.164 42.059 -0.069 0.000 1.006 401 L HN -0.083 nan 8.230 nan 0.000 0.454 402 A N 1.038 123.834 122.820 -0.040 0.000 1.948 402 A HA -0.224 4.096 4.320 0.000 0.000 0.220 402 A C 1.859 179.429 177.584 -0.024 0.000 1.177 402 A CA 1.919 53.937 52.037 -0.033 0.000 0.636 402 A CB -0.434 18.549 19.000 -0.027 0.000 0.815 402 A HN 0.473 nan 8.150 nan 0.000 0.449 403 N N -0.289 118.399 118.700 -0.020 0.000 2.398 403 N HA 0.099 4.839 4.740 0.000 0.000 0.188 403 N C 0.032 175.536 175.510 -0.011 0.000 1.122 403 N CA 0.240 53.282 53.050 -0.013 0.000 0.866 403 N CB -0.036 38.445 38.487 -0.011 0.000 0.970 403 N HN 0.465 nan 8.380 nan 0.000 0.462 404 L N 1.733 122.948 121.223 -0.014 0.000 2.533 404 L HA 0.112 4.452 4.340 0.000 0.000 0.239 404 L C 1.352 178.217 176.870 -0.009 0.000 1.376 404 L CA -0.110 54.725 54.840 -0.009 0.000 1.240 404 L CB -0.577 41.476 42.059 -0.011 0.000 1.487 404 L HN 0.067 nan 8.230 nan 0.000 0.419 405 T N -4.141 110.409 114.554 -0.005 0.000 3.160 405 T HA -0.017 4.333 4.350 0.000 0.000 0.257 405 T C 1.691 176.391 174.700 0.001 0.000 1.147 405 T CA 0.235 62.332 62.100 -0.006 0.000 1.064 405 T CB -0.053 68.812 68.868 -0.005 0.000 0.949 405 T HN 0.375 nan 8.240 nan 0.000 0.526 406 R N 0.244 120.749 120.500 0.009 0.000 2.275 406 R HA 0.319 4.659 4.340 0.000 0.000 0.199 406 R C 0.503 176.819 176.300 0.028 0.000 0.989 406 R CA -0.064 56.050 56.100 0.022 0.000 1.016 406 R CB -0.215 30.105 30.300 0.033 0.000 0.918 406 R HN 0.461 nan 8.270 nan 0.000 0.473 407 I N 1.505 122.081 120.570 0.010 0.000 2.775 407 I HA -0.143 4.028 4.170 0.000 0.000 0.290 407 I C 1.548 177.648 176.117 -0.028 0.000 1.203 407 I CA 0.908 62.206 61.300 -0.003 0.000 1.433 407 I CB 1.043 39.024 38.000 -0.032 0.000 1.354 407 I HN 0.197 nan 8.210 nan 0.000 0.579 408 T N 1.414 115.935 114.554 -0.056 0.000 2.958 408 T HA 0.215 4.565 4.350 0.000 0.000 0.256 408 T C 0.424 174.952 174.700 -0.286 0.000 0.983 408 T CA -0.263 61.766 62.100 -0.119 0.000 0.924 408 T CB 0.629 69.469 68.868 -0.046 0.000 1.136 408 T HN 0.477 nan 8.240 nan 0.000 0.506 409 Q N 0.659 120.216 119.800 -0.405 0.000 2.331 409 Q HA 0.749 5.089 4.340 0.000 0.000 0.272 409 Q C -1.909 173.895 176.000 -0.326 0.000 1.062 409 Q CA -0.640 54.829 55.803 -0.556 0.000 0.806 409 Q CB 2.967 30.933 28.738 -1.286 0.000 1.312 409 Q HN 0.333 nan 8.270 nan 0.000 0.431 410 L N 0.255 121.330 121.223 -0.247 0.000 2.472 410 L HA 0.856 5.196 4.340 0.000 0.000 0.260 410 L C -1.097 175.688 176.870 -0.141 0.000 0.963 410 L CA -0.075 54.664 54.840 -0.169 0.000 0.829 410 L CB 2.503 44.484 42.059 -0.129 0.000 1.348 410 L HN 0.625 nan 8.230 nan 0.000 0.408 411 G N 4.234 112.954 108.800 -0.133 0.000 2.737 411 G HA2 0.585 4.545 3.960 0.000 0.000 0.290 411 G HA3 0.585 4.545 3.960 0.000 0.000 0.290 411 G C -0.756 174.086 174.900 -0.098 0.000 1.482 411 G CA -0.281 44.759 45.100 -0.099 0.000 1.017 411 G HN 0.598 nan 8.290 nan 0.000 0.529 412 L N 2.300 123.504 121.223 -0.031 0.000 3.429 412 L HA 0.217 4.557 4.340 0.000 0.000 0.311 412 L C 0.533 177.481 176.870 0.129 0.000 1.274 412 L CA -0.680 54.191 54.840 0.051 0.000 1.037 412 L CB 0.166 42.266 42.059 0.069 0.000 1.433 412 L HN 0.602 nan 8.230 nan 0.000 0.614 413 N N -0.247 118.445 118.700 -0.013 0.000 2.503 413 N HA -0.002 4.739 4.740 0.000 0.000 0.267 413 N C -0.407 174.932 175.510 -0.285 0.000 1.214 413 N CA -0.019 52.963 53.050 -0.112 0.000 0.959 413 N CB 0.769 39.180 38.487 -0.127 0.000 1.142 413 N HN 0.038 nan 8.380 nan 0.000 0.455 414 D N -0.511 119.674 120.400 -0.359 0.000 2.716 414 D HA -0.127 4.513 4.640 0.000 0.000 0.239 414 D C -0.422 175.658 176.300 -0.368 0.000 1.125 414 D CA 0.746 54.459 54.000 -0.479 0.000 0.681 414 D CB -0.594 39.757 40.800 -0.748 0.000 1.070 414 D HN 0.587 nan 8.370 nan 0.000 0.432 415 Q N -0.304 119.384 119.800 -0.186 0.000 2.454 415 Q HA 0.581 4.921 4.340 0.000 0.000 0.247 415 Q C 0.417 176.409 176.000 -0.014 0.000 1.028 415 Q CA 0.231 56.074 55.803 0.068 0.000 0.910 415 Q CB 1.241 30.237 28.738 0.431 0.000 1.276 415 Q HN 0.464 nan 8.270 nan 0.000 0.489 416 A N 1.184 124.095 122.820 0.151 0.000 2.540 416 A HA 0.700 5.020 4.320 0.000 0.000 0.297 416 A C -1.920 175.822 177.584 0.263 0.000 1.056 416 A CA -0.800 51.242 52.037 0.008 0.000 0.700 416 A CB 0.993 19.966 19.000 -0.045 0.000 1.280 416 A HN 0.733 nan 8.150 nan 0.000 0.398 417 W N -0.014 121.287 121.300 0.001 0.000 3.137 417 W HA 0.759 5.419 4.660 0.000 0.000 0.324 417 W C -1.140 175.378 176.519 -0.001 0.000 1.253 417 W CA -0.748 56.606 57.345 0.016 0.000 1.183 417 W CB 0.908 30.392 29.460 0.040 0.000 1.424 417 W HN 0.538 nan 8.180 nan 0.000 0.566 418 T N 3.319 118.014 114.554 0.236 0.000 2.770 418 T HA 0.272 4.622 4.350 0.000 0.000 0.283 418 T C -0.279 174.561 174.700 0.233 0.000 0.988 418 T CA -0.615 61.561 62.100 0.126 0.000 0.957 418 T CB 0.406 69.316 68.868 0.070 0.000 0.930 418 T HN 0.352 nan 8.240 nan 0.000 0.443 419 N N 1.955 120.782 118.700 0.212 0.000 2.453 419 N HA 0.349 5.089 4.740 0.000 0.000 0.253 419 N C 0.300 175.890 175.510 0.135 0.000 1.252 419 N CA -0.267 52.914 53.050 0.218 0.000 0.917 419 N CB 0.430 39.043 38.487 0.209 0.000 1.117 419 N HN 0.810 nan 8.380 nan 0.000 0.442 420 A N 2.239 125.132 122.820 0.121 0.000 2.531 420 A HA 0.226 4.546 4.320 0.000 0.000 0.236 420 A C -1.961 175.671 177.584 0.079 0.000 1.062 420 A CA -0.699 51.391 52.037 0.088 0.000 0.760 420 A CB -0.606 18.440 19.000 0.076 0.000 0.995 420 A HN 0.445 nan 8.150 nan 0.000 0.501 421 P HA 0.228 nan 4.420 nan 0.000 0.266 421 P C -0.215 177.126 177.300 0.068 0.000 1.195 421 P CA 0.108 63.245 63.100 0.062 0.000 0.768 421 P CB 0.556 32.293 31.700 0.061 0.000 0.838 422 V N 0.334 120.290 119.914 0.069 0.000 3.019 422 V HA 0.554 4.674 4.120 0.000 0.000 0.317 422 V C -0.041 176.106 176.094 0.088 0.000 1.094 422 V CA -1.135 61.209 62.300 0.073 0.000 1.000 422 V CB 1.784 33.652 31.823 0.075 0.000 1.060 422 V HN 0.259 nan 8.190 nan 0.000 0.443 423 N N 1.626 120.377 118.700 0.084 0.000 2.492 423 N HA 0.154 4.894 4.740 0.000 0.000 0.262 423 N C -0.633 174.953 175.510 0.126 0.000 1.202 423 N CA 0.113 53.230 53.050 0.111 0.000 0.926 423 N CB 0.416 38.949 38.487 0.077 0.000 1.078 423 N HN 0.945 nan 8.380 nan 0.000 0.454 424 Y N 2.488 122.852 120.300 0.106 0.000 2.497 424 Y HA 0.121 4.671 4.550 0.000 0.000 0.334 424 Y C 0.224 176.182 175.900 0.097 0.000 1.199 424 Y CA 0.102 58.270 58.100 0.113 0.000 1.425 424 Y CB 0.438 39.063 38.460 0.274 0.000 1.291 424 Y HN 0.522 nan 8.280 nan 0.000 0.562 425 K N 3.507 123.307 120.400 -0.999 0.000 2.578 425 K HA 0.701 5.021 4.320 0.000 0.000 0.269 425 K C -0.390 175.675 176.600 -0.892 0.000 0.941 425 K CA -0.439 55.312 56.287 -0.893 0.000 0.847 425 K CB 1.088 33.404 32.500 -0.308 0.000 1.397 425 K HN 0.508 nan 8.250 nan 0.000 0.422 426 A N 2.255 124.733 122.820 -0.569 0.000 1.948 426 A HA -0.202 4.118 4.320 0.000 0.000 0.220 426 A C 0.811 178.358 177.584 -0.062 0.000 1.177 426 A CA 2.025 53.950 52.037 -0.187 0.000 0.636 426 A CB -0.972 18.012 19.000 -0.028 0.000 0.815 426 A HN 0.831 nan 8.150 nan 0.000 0.449 427 N N -0.920 117.740 118.700 -0.066 0.000 2.380 427 N HA 0.314 5.054 4.740 0.000 0.000 0.255 427 N C -0.350 175.186 175.510 0.043 0.000 1.158 427 N CA -0.223 52.833 53.050 0.011 0.000 0.878 427 N CB 1.079 39.565 38.487 -0.001 0.000 1.138 427 N HN 0.227 nan 8.380 nan 0.000 0.509 428 V N 0.663 120.606 119.914 0.050 0.000 2.814 428 V HA 0.096 4.216 4.120 0.000 0.000 0.307 428 V C 0.090 176.364 176.094 0.301 0.000 1.089 428 V CA 0.758 63.128 62.300 0.116 0.000 1.212 428 V CB 1.152 33.006 31.823 0.051 0.000 0.912 428 V HN 0.279 nan 8.190 nan 0.000 0.497 429 S N 6.216 122.065 115.700 0.248 0.000 2.540 429 S HA 0.738 5.208 4.470 0.000 0.000 0.275 429 S C -0.904 173.843 174.600 0.244 0.000 1.123 429 S CA -0.628 57.714 58.200 0.237 0.000 0.907 429 S CB 1.375 64.626 63.200 0.084 0.000 1.081 429 S HN 1.013 nan 8.310 nan 0.000 0.476 430 I N 1.143 121.882 120.570 0.282 0.000 2.828 430 I HA 0.768 4.938 4.170 0.000 0.000 0.302 430 I C -2.894 173.307 176.117 0.141 0.000 1.101 430 I CA -2.943 58.499 61.300 0.237 0.000 1.031 430 I CB 2.547 40.752 38.000 0.342 0.000 1.231 430 I HN 0.354 nan 8.210 nan 0.000 0.427 431 P HA 0.113 nan 4.420 nan 0.000 0.275 431 P C -1.069 176.295 177.300 0.106 0.000 1.228 431 P CA -0.184 62.972 63.100 0.093 0.000 0.786 431 P CB 0.595 32.348 31.700 0.089 0.000 0.927 432 N N 1.272 120.012 118.700 0.067 0.000 2.442 432 N HA 0.063 4.804 4.740 0.000 0.000 0.265 432 N C 0.850 176.429 175.510 0.115 0.000 1.138 432 N CA 0.126 53.184 53.050 0.014 0.000 0.956 432 N CB 0.161 38.621 38.487 -0.044 0.000 1.067 432 N HN 0.352 nan 8.380 nan 0.000 0.474 433 T N -0.372 114.308 114.554 0.211 0.000 3.069 433 T HA 0.147 4.497 4.350 0.000 0.000 0.252 433 T C 0.302 175.067 174.700 0.109 0.000 1.053 433 T CA -0.255 61.945 62.100 0.166 0.000 0.964 433 T CB -0.283 68.708 68.868 0.204 0.000 1.005 433 T HN 0.115 nan 8.240 nan 0.000 0.532 434 V N 2.504 122.458 119.914 0.066 0.000 2.415 434 V HA 0.362 4.482 4.120 0.000 0.000 0.267 434 V C 0.133 176.211 176.094 -0.027 0.000 1.042 434 V CA -0.360 61.876 62.300 -0.107 0.000 1.000 434 V CB 0.296 31.761 31.823 -0.598 0.000 1.015 434 V HN 0.415 nan 8.190 nan 0.000 0.478 435 K N 4.511 124.961 120.400 0.082 0.000 2.426 435 K HA 0.386 4.707 4.320 0.000 0.000 0.254 435 K C -0.209 176.471 176.600 0.134 0.000 0.936 435 K CA -0.757 55.581 56.287 0.085 0.000 0.801 435 K CB 1.302 33.828 32.500 0.044 0.000 1.139 435 K HN 0.622 nan 8.250 nan 0.000 0.424 436 N N 1.852 120.619 118.700 0.112 0.000 2.354 436 N HA -0.028 4.712 4.740 0.000 0.000 0.246 436 N C 0.990 176.504 175.510 0.007 0.000 1.285 436 N CA -0.206 52.901 53.050 0.094 0.000 0.925 436 N CB 1.239 39.787 38.487 0.102 0.000 1.174 436 N HN 0.407 nan 8.380 nan 0.000 0.478 437 V N 1.002 120.898 119.914 -0.030 0.000 2.568 437 V HA -0.204 3.916 4.120 0.000 0.000 0.253 437 V C 1.935 178.017 176.094 -0.021 0.000 1.072 437 V CA 2.711 64.982 62.300 -0.048 0.000 1.084 437 V CB -0.986 30.800 31.823 -0.062 0.000 0.676 437 V HN 0.939 nan 8.190 nan 0.000 0.469 438 T N -3.110 111.443 114.554 -0.002 0.000 3.085 438 T HA 0.224 4.574 4.350 0.000 0.000 0.263 438 T C 1.612 176.315 174.700 0.004 0.000 1.127 438 T CA 1.033 63.135 62.100 0.003 0.000 1.103 438 T CB 0.290 69.165 68.868 0.012 0.000 0.921 438 T HN 1.244 nan 8.240 nan 0.000 0.510 439 G N 1.003 109.807 108.800 0.006 0.000 2.195 439 G HA2 -0.028 3.932 3.960 0.000 0.000 0.246 439 G HA3 -0.028 3.932 3.960 0.000 0.000 0.246 439 G C 0.256 175.167 174.900 0.019 0.000 0.984 439 G CA -0.141 44.964 45.100 0.008 0.000 0.633 439 G HN 1.176 nan 8.290 nan 0.000 0.525 440 A N 0.478 123.313 122.820 0.026 0.000 2.354 440 A HA 0.751 5.071 4.320 0.000 0.000 0.269 440 A C 0.711 178.322 177.584 0.045 0.000 1.109 440 A CA -0.313 51.745 52.037 0.034 0.000 0.800 440 A CB 0.439 19.460 19.000 0.035 0.000 1.045 440 A HN 0.832 nan 8.150 nan 0.000 0.489 441 L N 1.945 123.198 121.223 0.051 0.000 2.456 441 L HA 0.143 4.483 4.340 0.000 0.000 0.272 441 L C -0.110 176.787 176.870 0.045 0.000 1.189 441 L CA 0.252 55.124 54.840 0.054 0.000 0.846 441 L CB 0.400 42.511 42.059 0.087 0.000 1.111 441 L HN 0.541 nan 8.230 nan 0.000 0.475 442 I N 2.928 123.498 120.570 -0.000 0.000 2.304 442 I HA 0.243 4.413 4.170 0.000 0.000 0.291 442 I C 0.614 176.661 176.117 -0.117 0.000 1.018 442 I CA -0.293 60.995 61.300 -0.021 0.000 1.260 442 I CB 1.336 39.325 38.000 -0.017 0.000 1.390 442 I HN 0.656 nan 8.210 nan 0.000 0.475 443 A N 8.612 131.363 122.820 -0.115 0.000 2.511 443 A HA 0.339 4.659 4.320 0.000 0.000 0.242 443 A C -2.219 175.172 177.584 -0.322 0.000 1.069 443 A CA -0.921 50.900 52.037 -0.359 0.000 0.763 443 A CB -0.586 18.355 19.000 -0.097 0.000 1.001 443 A HN 0.447 nan 8.150 nan 0.000 0.498 444 P HA 0.062 nan 4.420 nan 0.000 0.264 444 P C 0.705 177.957 177.300 -0.079 0.000 1.179 444 P CA 0.937 63.924 63.100 -0.190 0.000 0.763 444 P CB 0.710 32.215 31.700 -0.325 0.000 0.806 445 A N 2.579 125.407 122.820 0.015 0.000 1.878 445 A HA 0.121 4.441 4.320 0.000 0.000 0.213 445 A C 0.906 178.485 177.584 -0.009 0.000 1.192 445 A CA 1.874 53.908 52.037 -0.006 0.000 0.619 445 A CB -0.659 18.331 19.000 -0.018 0.000 0.837 445 A HN 0.607 nan 8.150 nan 0.000 0.446 446 T N -2.905 111.657 114.554 0.013 0.000 2.896 446 T HA 0.710 5.061 4.350 0.000 0.000 0.297 446 T C -0.940 173.801 174.700 0.070 0.000 1.108 446 T CA -0.613 61.500 62.100 0.022 0.000 1.004 446 T CB 1.494 70.369 68.868 0.012 0.000 1.159 446 T HN 0.217 nan 8.240 nan 0.000 0.499 447 I N 2.106 122.720 120.570 0.074 0.000 2.569 447 I HA 0.438 4.608 4.170 0.000 0.000 0.290 447 I C 0.532 176.771 176.117 0.203 0.000 1.088 447 I CA -1.019 60.367 61.300 0.143 0.000 1.047 447 I CB 2.526 40.508 38.000 -0.030 0.000 1.237 447 I HN 0.965 nan 8.210 nan 0.000 0.421 448 S N 3.312 119.217 115.700 0.342 0.000 2.608 448 S HA 0.153 4.623 4.470 0.000 0.000 0.261 448 S C 0.398 175.217 174.600 0.366 0.000 1.314 448 S CA -0.162 58.202 58.200 0.273 0.000 0.992 448 S CB 0.665 63.978 63.200 0.190 0.000 0.935 448 S HN 0.837 nan 8.310 nan 0.000 0.564 449 D N 0.364 120.889 120.400 0.208 0.000 2.751 449 D HA -0.179 4.461 4.640 0.000 0.000 0.233 449 D C 0.924 177.369 176.300 0.242 0.000 1.149 449 D CA 1.045 55.169 54.000 0.207 0.000 0.682 449 D CB -1.784 39.124 40.800 0.181 0.000 1.068 449 D HN 1.478 nan 8.370 nan 0.000 0.429 450 G N -0.542 108.354 108.800 0.159 0.000 2.203 450 G HA2 -0.248 3.713 3.960 0.000 0.000 0.263 450 G HA3 -0.248 3.713 3.960 0.000 0.000 0.263 450 G C 0.788 175.717 174.900 0.048 0.000 1.012 450 G CA 0.768 45.923 45.100 0.092 0.000 0.749 450 G HN 0.812 nan 8.290 nan 0.000 0.512 451 G N -0.473 108.343 108.800 0.026 0.000 2.699 451 G HA2 0.627 4.587 3.960 0.000 0.000 0.246 451 G HA3 0.627 4.587 3.960 0.000 0.000 0.246 451 G C 0.432 175.143 174.900 -0.315 0.000 1.219 451 G CA 0.999 45.875 45.100 -0.374 0.000 0.866 451 G HN 1.774 nan 8.290 nan 0.000 0.572 452 S N -1.160 114.309 115.700 -0.385 0.000 2.627 452 S HA 0.629 5.099 4.470 0.000 0.000 0.283 452 S C -1.499 172.988 174.600 -0.188 0.000 1.127 452 S CA -0.884 57.189 58.200 -0.211 0.000 0.863 452 S CB 2.022 65.142 63.200 -0.133 0.000 1.121 452 S HN 0.826 nan 8.310 nan 0.000 0.479 453 Y N 0.640 120.791 120.300 -0.248 0.000 2.376 453 Y HA 0.659 5.209 4.550 0.000 0.000 0.340 453 Y C -0.943 174.861 175.900 -0.160 0.000 0.965 453 Y CA -0.349 57.611 58.100 -0.233 0.000 1.078 453 Y CB 2.303 40.632 38.460 -0.218 0.000 1.193 453 Y HN 0.857 nan 8.280 nan 0.000 0.452 454 T N 6.279 120.397 114.554 -0.728 0.000 2.985 454 T HA 0.123 4.473 4.350 0.000 0.000 0.315 454 T C -0.959 173.211 174.700 -0.882 0.000 1.001 454 T CA -0.778 60.935 62.100 -0.645 0.000 1.016 454 T CB 0.710 69.385 68.868 -0.322 0.000 0.993 454 T HN 0.712 nan 8.240 nan 0.000 0.454 455 E N 4.660 124.246 120.200 -1.023 0.000 2.765 455 E HA -0.073 4.277 4.350 0.000 0.000 0.256 455 E C -1.235 175.173 176.600 -0.321 0.000 0.935 455 E CA -0.629 55.381 56.400 -0.650 0.000 0.954 455 E CB 0.636 30.188 29.700 -0.248 0.000 0.908 455 E HN 0.301 nan 8.360 nan 0.000 0.500 456 P HA 0.191 nan 4.420 nan 0.000 0.268 456 P C -0.886 176.400 177.300 -0.024 0.000 1.329 456 P CA -0.012 63.046 63.100 -0.070 0.000 0.899 456 P CB 0.502 32.203 31.700 0.001 0.000 1.378 457 D N 0.854 121.142 120.400 -0.188 0.000 2.168 457 D HA 0.335 4.976 4.640 0.000 0.000 0.246 457 D C 0.238 176.475 176.300 -0.105 0.000 1.050 457 D CA -0.355 53.587 54.000 -0.097 0.000 0.857 457 D CB 2.127 42.865 40.800 -0.103 0.000 1.169 457 D HN 0.077 nan 8.370 nan 0.000 0.453 458 I N 1.419 121.931 120.570 -0.097 0.000 2.336 458 I HA 0.207 4.377 4.170 0.000 0.000 0.292 458 I C 0.208 176.043 176.117 -0.471 0.000 0.991 458 I CA -0.118 60.983 61.300 -0.331 0.000 1.227 458 I CB 1.401 39.074 38.000 -0.545 0.000 1.366 458 I HN 0.035 nan 8.210 nan 0.000 0.466 459 T N 4.811 119.033 114.554 -0.552 0.000 2.848 459 T HA 0.423 4.773 4.350 0.000 0.000 0.285 459 T C -0.737 173.709 174.700 -0.424 0.000 0.995 459 T CA -0.579 61.328 62.100 -0.322 0.000 0.970 459 T CB 1.292 70.071 68.868 -0.148 0.000 0.976 459 T HN 0.373 nan 8.240 nan 0.000 0.441 460 W N 1.708 123.010 121.300 0.004 0.000 2.578 460 W HA 0.519 5.179 4.660 0.000 0.000 0.364 460 W C 0.364 176.884 176.519 0.002 0.000 1.144 460 W CA -0.684 56.667 57.345 0.010 0.000 1.242 460 W CB 1.107 30.581 29.460 0.023 0.000 1.382 460 W HN 0.458 nan 8.180 nan 0.000 0.625 461 N N 1.855 120.700 118.700 0.242 0.000 2.707 461 N HA 0.253 4.993 4.740 0.000 0.000 0.249 461 N C -1.714 173.889 175.510 0.154 0.000 1.299 461 N CA -0.074 53.060 53.050 0.139 0.000 0.769 461 N CB -0.056 38.477 38.487 0.078 0.000 1.236 461 N HN 0.270 nan 8.380 nan 0.000 0.524 462 L N 2.821 124.147 121.223 0.172 0.000 2.292 462 L HA 0.528 4.868 4.340 0.000 0.000 0.284 462 L C -0.918 176.062 176.870 0.184 0.000 1.065 462 L CA -1.427 53.528 54.840 0.191 0.000 0.806 462 L CB 1.399 43.622 42.059 0.273 0.000 1.175 462 L HN 0.266 nan 8.230 nan 0.000 0.431 463 P HA 0.014 nan 4.420 nan 0.000 0.227 463 P C 0.314 177.695 177.300 0.136 0.000 1.161 463 P CA 0.481 63.650 63.100 0.115 0.000 0.788 463 P CB 0.799 32.544 31.700 0.074 0.000 0.822 464 S N -2.059 113.724 115.700 0.137 0.000 2.625 464 S HA 0.369 4.839 4.470 0.000 0.000 0.271 464 S C -1.635 172.898 174.600 -0.112 0.000 1.161 464 S CA -0.812 57.434 58.200 0.075 0.000 0.820 464 S CB 0.403 63.615 63.200 0.019 0.000 1.137 464 S HN -0.007 nan 8.310 nan 0.000 0.470 465 Y N 1.917 121.907 120.300 -0.517 0.000 2.712 465 Y HA 0.409 4.960 4.550 0.000 0.000 0.333 465 Y C 0.273 175.840 175.900 -0.555 0.000 1.225 465 Y CA 1.171 58.608 58.100 -1.104 0.000 1.499 465 Y CB 0.548 38.564 38.460 -0.739 0.000 1.288 465 Y HN 0.550 nan 8.280 nan 0.000 0.575 466 T N 4.886 118.581 114.554 -1.431 0.000 2.909 466 T HA 0.187 4.538 4.350 0.000 0.000 0.299 466 T C 0.531 174.483 174.700 -1.247 0.000 1.073 466 T CA -0.349 61.142 62.100 -1.016 0.000 0.999 466 T CB 0.752 69.352 68.868 -0.447 0.000 1.098 466 T HN 0.869 nan 8.240 nan 0.000 0.477 467 N N 2.682 120.938 118.700 -0.740 0.000 2.409 467 N HA 0.095 4.836 4.740 0.000 0.000 0.179 467 N C 0.331 175.698 175.510 -0.238 0.000 1.032 467 N CA 0.447 53.269 53.050 -0.379 0.000 0.898 467 N CB 0.541 38.978 38.487 -0.083 0.000 0.971 467 N HN 0.594 nan 8.380 nan 0.000 0.441 468 E N -0.844 119.192 120.200 -0.274 0.000 2.390 468 E HA 0.381 4.731 4.350 0.000 0.000 0.280 468 E C -1.783 174.635 176.600 -0.304 0.000 0.992 468 E CA -0.998 55.265 56.400 -0.229 0.000 0.790 468 E CB 2.337 31.947 29.700 -0.151 0.000 1.248 468 E HN 0.061 nan 8.360 nan 0.000 0.447 469 V N -0.870 118.817 119.914 -0.378 0.000 3.160 469 V HA 1.000 5.120 4.120 0.000 0.000 0.310 469 V C -0.754 175.192 176.094 -0.247 0.000 1.181 469 V CA -0.293 61.705 62.300 -0.505 0.000 1.047 469 V CB 1.672 32.676 31.823 -1.366 0.000 1.068 469 V HN 0.825 nan 8.190 nan 0.000 0.441 470 S N 0.421 116.124 115.700 0.005 0.000 2.611 470 S HA 0.871 5.342 4.470 0.000 0.000 0.268 470 S C -1.333 173.488 174.600 0.368 0.000 1.156 470 S CA -0.372 57.895 58.200 0.113 0.000 0.817 470 S CB 1.637 64.814 63.200 -0.039 0.000 1.122 470 S HN 2.419 nan 8.310 nan 0.000 0.466 471 Y N -1.503 118.850 120.300 0.088 0.000 2.625 471 Y HA 0.872 5.422 4.550 0.000 0.000 0.338 471 Y C -0.571 175.307 175.900 -0.037 0.000 1.123 471 Y CA -0.518 57.616 58.100 0.057 0.000 1.046 471 Y CB 1.044 39.549 38.460 0.076 0.000 1.299 471 Y HN 1.098 nan 8.280 nan 0.000 0.464 472 T N -0.044 114.554 114.554 0.074 0.000 2.930 472 T HA 0.837 5.188 4.350 0.000 0.000 0.290 472 T C -1.165 173.595 174.700 0.101 0.000 1.052 472 T CA -0.666 61.378 62.100 -0.093 0.000 1.017 472 T CB 1.908 70.683 68.868 -0.156 0.000 1.137 472 T HN 1.075 nan 8.240 nan 0.000 0.511 473 F N -1.403 118.446 119.950 -0.168 0.000 2.599 473 F HA 0.873 5.400 4.527 0.000 0.000 0.311 473 F C -0.630 175.056 175.800 -0.190 0.000 1.076 473 F CA -1.154 56.752 58.000 -0.156 0.000 0.937 473 F CB 1.852 40.749 39.000 -0.172 0.000 1.282 473 F HN 0.762 nan 8.300 nan 0.000 0.460 474 S N 1.787 117.475 115.700 -0.021 0.000 2.652 474 S HA 0.497 4.967 4.470 0.000 0.000 0.273 474 S C -1.986 172.632 174.600 0.030 0.000 1.172 474 S CA -0.261 57.886 58.200 -0.088 0.000 1.009 474 S CB 1.176 64.307 63.200 -0.115 0.000 1.094 474 S HN 0.946 nan 8.310 nan 0.000 0.471 475 Q N 4.862 124.711 119.800 0.082 0.000 2.350 475 Q HA 0.521 4.862 4.340 0.000 0.000 0.255 475 Q C -2.976 173.106 176.000 0.136 0.000 0.951 475 Q CA -1.540 54.339 55.803 0.126 0.000 0.751 475 Q CB 1.847 30.702 28.738 0.196 0.000 1.296 475 Q HN 0.356 nan 8.270 nan 0.000 0.453 476 P HA 0.091 nan 4.420 nan 0.000 0.266 476 P C -1.274 176.075 177.300 0.081 0.000 1.195 476 P CA -0.123 63.017 63.100 0.067 0.000 0.768 476 P CB 0.941 32.662 31.700 0.034 0.000 0.838 477 V N 2.841 122.796 119.914 0.067 0.000 3.048 477 V HA 0.524 4.644 4.120 0.000 0.000 0.303 477 V C -1.186 174.913 176.094 0.008 0.000 1.214 477 V CA -0.255 62.073 62.300 0.047 0.000 0.984 477 V CB 2.711 34.576 31.823 0.070 0.000 1.054 477 V HN 0.448 nan 8.190 nan 0.000 0.430 478 T N 7.019 121.569 114.554 -0.006 0.000 2.824 478 T HA 0.674 5.024 4.350 0.000 0.000 0.282 478 T C -0.657 174.024 174.700 -0.031 0.000 0.993 478 T CA -0.125 61.960 62.100 -0.024 0.000 0.967 478 T CB 1.118 69.973 68.868 -0.022 0.000 0.960 478 T HN 0.543 nan 8.240 nan 0.000 0.441 479 I N 2.891 123.434 120.570 -0.045 0.000 2.410 479 I HA 0.528 4.698 4.170 0.000 0.000 0.286 479 I C 1.129 177.223 176.117 -0.039 0.000 1.009 479 I CA -0.342 60.932 61.300 -0.043 0.000 1.111 479 I CB 1.178 39.145 38.000 -0.055 0.000 1.262 479 I HN 0.911 nan 8.210 nan 0.000 0.443 480 G N 6.229 115.012 108.800 -0.028 0.000 2.601 480 G HA2 -0.331 3.629 3.960 0.000 0.000 0.306 480 G HA3 -0.331 3.629 3.960 0.000 0.000 0.306 480 G C 0.639 175.523 174.900 -0.027 0.000 1.172 480 G CA 0.456 45.542 45.100 -0.022 0.000 0.966 480 G HN 0.623 nan 8.290 nan 0.000 0.542 481 K N 1.179 121.558 120.400 -0.034 0.000 2.374 481 K HA 0.396 4.716 4.320 0.000 0.000 0.202 481 K C 1.076 177.633 176.600 -0.072 0.000 1.040 481 K CA 0.453 56.714 56.287 -0.043 0.000 1.085 481 K CB 1.154 33.633 32.500 -0.035 0.000 0.873 481 K HN 0.644 nan 8.250 nan 0.000 0.539 482 G N 1.148 109.897 108.800 -0.085 0.000 2.333 482 G HA2 0.212 4.172 3.960 0.000 0.000 0.290 482 G HA3 0.212 4.172 3.960 0.000 0.000 0.290 482 G C -0.513 174.330 174.900 -0.094 0.000 1.150 482 G CA -0.016 45.011 45.100 -0.121 0.000 0.895 482 G HN -0.093 nan 8.290 nan 0.000 0.444 483 T N 1.264 115.760 114.554 -0.096 0.000 2.823 483 T HA 0.719 5.069 4.350 0.000 0.000 0.279 483 T C -0.005 174.658 174.700 -0.062 0.000 0.998 483 T CA -0.317 61.744 62.100 -0.064 0.000 0.994 483 T CB 1.965 70.802 68.868 -0.052 0.000 0.960 483 T HN 0.614 nan 8.240 nan 0.000 0.448 484 T N 0.786 115.321 114.554 -0.031 0.000 2.739 484 T HA 0.525 4.875 4.350 0.000 0.000 0.303 484 T C -1.320 173.394 174.700 0.024 0.000 1.389 484 T CA -0.459 61.631 62.100 -0.016 0.000 1.001 484 T CB 1.684 70.538 68.868 -0.023 0.000 1.436 484 T HN 0.477 nan 8.240 nan 0.000 0.500 485 T N 2.722 117.295 114.554 0.032 0.000 2.756 485 T HA 0.478 4.829 4.350 0.000 0.000 0.290 485 T C -1.029 173.753 174.700 0.137 0.000 0.985 485 T CA -0.268 61.868 62.100 0.060 0.000 0.955 485 T CB 0.048 68.918 68.868 0.003 0.000 0.930 485 T HN 0.401 nan 8.240 nan 0.000 0.451 486 F N 5.341 125.309 119.950 0.030 0.000 2.438 486 F HA 0.514 5.041 4.527 0.000 0.000 0.360 486 F C 0.427 176.298 175.800 0.118 0.000 1.118 486 F CA -1.055 57.010 58.000 0.108 0.000 1.164 486 F CB -0.351 38.751 39.000 0.170 0.000 1.131 486 F HN 0.524 nan 8.300 nan 0.000 0.527 487 S N 3.944 119.469 115.700 -0.292 0.000 2.618 487 S HA 1.024 5.494 4.470 0.000 0.000 0.277 487 S C -0.523 173.269 174.600 -1.347 0.000 1.138 487 S CA -0.270 57.416 58.200 -0.857 0.000 0.844 487 S CB 1.720 64.645 63.200 -0.457 0.000 1.127 487 S HN 1.248 nan 8.310 nan 0.000 0.474 488 G N -0.108 107.568 108.800 -1.874 0.000 2.349 488 G HA2 0.550 4.510 3.960 0.000 0.000 0.294 488 G HA3 0.550 4.510 3.960 0.000 0.000 0.294 488 G C -1.672 172.652 174.900 -0.961 0.000 1.380 488 G CA -0.553 43.783 45.100 -1.273 0.000 0.811 488 G HN 0.895 nan 8.290 nan 0.000 0.519 489 T N -0.046 114.124 114.554 -0.641 0.000 2.881 489 T HA 0.608 4.958 4.350 0.000 0.000 0.290 489 T C -0.774 173.488 174.700 -0.730 0.000 1.000 489 T CA -0.397 61.373 62.100 -0.550 0.000 0.978 489 T CB 1.833 70.485 68.868 -0.361 0.000 0.997 489 T HN 0.671 nan 8.240 nan 0.000 0.443 490 V N 3.381 122.771 119.914 -0.872 0.000 2.409 490 V HA 0.505 4.625 4.120 0.000 0.000 0.291 490 V C 0.112 175.871 176.094 -0.558 0.000 1.020 490 V CA -0.693 60.970 62.300 -1.060 0.000 0.848 490 V CB 1.783 32.718 31.823 -1.480 0.000 0.990 490 V HN 0.979 nan 8.190 nan 0.000 0.430 491 T N 4.386 118.717 114.554 -0.372 0.000 2.794 491 T HA 0.441 4.791 4.350 0.000 0.000 0.280 491 T C -0.417 174.230 174.700 -0.088 0.000 0.987 491 T CA -0.333 61.658 62.100 -0.181 0.000 0.993 491 T CB 1.418 70.207 68.868 -0.132 0.000 0.939 491 T HN 0.623 nan 8.240 nan 0.000 0.449 492 Q N 4.149 123.905 119.800 -0.074 0.000 2.456 492 Q HA 0.384 4.724 4.340 0.000 0.000 0.252 492 Q C -2.777 173.172 176.000 -0.085 0.000 1.042 492 Q CA -2.408 53.368 55.803 -0.044 0.000 0.766 492 Q CB 1.014 29.721 28.738 -0.051 0.000 1.196 492 Q HN 0.240 nan 8.270 nan 0.000 0.504 493 P HA 0.156 nan 4.420 nan 0.000 0.271 493 P C -0.919 176.375 177.300 -0.010 0.000 1.218 493 P CA -0.005 63.079 63.100 -0.027 0.000 0.780 493 P CB 0.717 32.424 31.700 0.012 0.000 0.901 494 L N 3.107 124.327 121.223 -0.005 0.000 2.333 494 L HA 0.385 4.725 4.340 0.000 0.000 0.280 494 L C 1.330 178.337 176.870 0.229 0.000 1.004 494 L CA -0.521 54.366 54.840 0.078 0.000 0.820 494 L CB 1.980 44.049 42.059 0.017 0.000 1.247 494 L HN 0.352 nan 8.230 nan 0.000 0.416 495 K N 2.076 122.616 120.400 0.232 0.000 2.099 495 K HA 0.424 4.744 4.320 0.000 0.000 0.203 495 K C 0.364 177.102 176.600 0.231 0.000 1.047 495 K CA 0.730 57.139 56.287 0.203 0.000 0.963 495 K CB 0.638 33.203 32.500 0.109 0.000 0.759 495 K HN 0.749 nan 8.250 nan 0.000 0.451 496 A N 0.000 123.007 122.820 0.311 0.000 2.254 496 A HA 0.000 4.320 4.320 0.000 0.000 0.244 496 A CA 0.000 nan 52.037 nan 0.000 0.836 496 A CB 0.000 19.000 19.000 0.000 0.000 0.831 496 A HN 0.000 nan 8.150 nan 0.000 0.486