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 3oee_1_U DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAS AQXXXDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.487 175.510 -0.038 0.000 1.280 26 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 26 N CB 0.000 38.477 38.487 -0.017 0.000 1.341 27 L N 0.320 121.510 121.223 -0.054 0.000 2.855 27 L HA 0.326 4.666 4.340 0.000 0.000 0.245 27 L C 0.889 177.693 176.870 -0.111 0.000 1.276 27 L CA -0.011 54.770 54.840 -0.097 0.000 1.118 27 L CB -0.308 41.664 42.059 -0.145 0.000 1.444 27 L HN 0.334 nan 8.230 nan 0.000 0.440 28 N N -0.746 117.907 118.700 -0.078 0.000 2.510 28 N HA 0.004 4.744 4.740 0.000 0.000 0.186 28 N C 1.440 176.910 175.510 -0.067 0.000 1.051 28 N CA 0.492 53.499 53.050 -0.072 0.000 0.877 28 N CB 0.375 38.831 38.487 -0.052 0.000 1.183 28 N HN 0.197 nan 8.380 nan 0.000 0.443 29 E N 0.354 120.518 120.200 -0.059 0.000 2.389 29 E HA 0.105 4.455 4.350 0.000 0.000 0.199 29 E C 0.344 176.905 176.600 -0.066 0.000 0.978 29 E CA 0.482 56.848 56.400 -0.056 0.000 0.912 29 E CB 0.606 30.281 29.700 -0.042 0.000 0.907 29 E HN 0.384 nan 8.360 nan 0.000 0.494 30 T N -1.816 112.698 114.554 -0.067 0.000 2.916 30 T HA 0.776 5.127 4.350 0.000 0.000 0.292 30 T C 0.240 174.893 174.700 -0.078 0.000 1.064 30 T CA -0.738 61.320 62.100 -0.069 0.000 1.011 30 T CB 2.519 71.361 68.868 -0.044 0.000 1.152 30 T HN 0.008 nan 8.240 nan 0.000 0.510 31 G N -0.055 108.703 108.800 -0.069 0.000 2.694 31 G HA2 0.660 4.620 3.960 0.000 0.000 0.290 31 G HA3 0.660 4.620 3.960 0.000 0.000 0.290 31 G C -1.648 173.265 174.900 0.020 0.000 1.386 31 G CA -1.144 43.925 45.100 -0.052 0.000 0.872 31 G HN 0.822 nan 8.290 nan 0.000 0.475 32 R N 0.162 120.719 120.500 0.094 0.000 2.445 32 R HA 0.534 4.874 4.340 0.000 0.000 0.308 32 R C -0.552 175.842 176.300 0.156 0.000 0.961 32 R CA -0.536 55.648 56.100 0.140 0.000 0.862 32 R CB 1.731 32.146 30.300 0.191 0.000 1.144 32 R HN 0.302 nan 8.270 nan 0.000 0.447 33 V N 6.894 126.889 119.914 0.134 0.000 2.479 33 V HA -0.013 4.107 4.120 0.000 0.000 0.281 33 V C 1.366 177.521 176.094 0.101 0.000 1.031 33 V CA 0.343 62.724 62.300 0.135 0.000 1.038 33 V CB 0.842 32.751 31.823 0.143 0.000 0.981 33 V HN 0.850 nan 8.190 nan 0.000 0.478 34 L N 4.319 125.601 121.223 0.098 0.000 2.062 34 L HA 0.327 4.667 4.340 0.000 0.000 0.202 34 L C 1.120 178.011 176.870 0.036 0.000 1.079 34 L CA 1.454 56.329 54.840 0.058 0.000 0.755 34 L CB -0.112 41.983 42.059 0.061 0.000 0.913 34 L HN 0.745 nan 8.230 nan 0.000 0.445 35 A N -0.936 121.907 122.820 0.039 0.000 2.454 35 A HA 0.677 4.997 4.320 0.000 0.000 0.302 35 A C -1.519 176.074 177.584 0.016 0.000 1.079 35 A CA -0.384 51.665 52.037 0.019 0.000 0.731 35 A CB 2.171 21.178 19.000 0.011 0.000 1.299 35 A HN -0.091 nan 8.150 nan 0.000 0.413 36 V N 0.641 120.553 119.914 -0.003 0.000 2.655 36 V HA 0.849 4.969 4.120 0.000 0.000 0.301 36 V C -0.325 175.750 176.094 -0.033 0.000 1.082 36 V CA 0.879 63.165 62.300 -0.023 0.000 0.899 36 V CB 1.455 33.254 31.823 -0.040 0.000 1.014 36 V HN 2.230 nan 8.190 nan 0.000 0.429 37 G N 3.695 112.472 108.800 -0.039 0.000 2.411 37 G HA2 0.526 4.486 3.960 0.000 0.000 0.295 37 G HA3 0.526 4.486 3.960 0.000 0.000 0.295 37 G C -0.727 174.148 174.900 -0.042 0.000 1.542 37 G CA 0.219 45.295 45.100 -0.039 0.000 0.814 37 G HN 0.982 nan 8.290 nan 0.000 0.557 38 D N -0.937 119.439 120.400 -0.040 0.000 3.076 38 D HA -0.195 4.445 4.640 0.000 0.000 0.218 38 D C 1.570 177.842 176.300 -0.047 0.000 1.156 38 D CA 2.642 56.618 54.000 -0.040 0.000 0.921 38 D CB -1.316 39.460 40.800 -0.039 0.000 1.113 38 D HN 2.341 nan 8.370 nan 0.000 0.418 39 G N -0.487 108.279 108.800 -0.057 0.000 2.143 39 G HA2 -0.293 3.667 3.960 0.000 0.000 0.248 39 G HA3 -0.293 3.667 3.960 0.000 0.000 0.248 39 G C 0.158 175.013 174.900 -0.075 0.000 0.991 39 G CA 0.436 45.495 45.100 -0.069 0.000 0.689 39 G HN 0.499 nan 8.290 nan 0.000 0.522 40 I N 0.519 121.051 120.570 -0.064 0.000 2.530 40 I HA 0.702 4.872 4.170 0.000 0.000 0.297 40 I C 0.209 176.307 176.117 -0.032 0.000 1.011 40 I CA -0.514 60.757 61.300 -0.048 0.000 1.107 40 I CB 1.929 39.904 38.000 -0.043 0.000 1.285 40 I HN 0.393 nan 8.210 nan 0.000 0.436 41 A N 7.074 129.897 122.820 0.005 0.000 2.375 41 A HA 0.606 4.926 4.320 0.000 0.000 0.291 41 A C -0.519 177.112 177.584 0.078 0.000 1.160 41 A CA -0.724 51.344 52.037 0.051 0.000 0.747 41 A CB 0.770 19.835 19.000 0.109 0.000 1.170 41 A HN 0.707 nan 8.150 nan 0.000 0.458 42 R N 1.642 122.178 120.500 0.061 0.000 2.210 42 R HA 0.486 4.826 4.340 0.000 0.000 0.338 42 R C -0.928 175.428 176.300 0.094 0.000 1.062 42 R CA -0.210 55.928 56.100 0.063 0.000 0.902 42 R CB 1.248 31.575 30.300 0.045 0.000 1.050 42 R HN 0.404 nan 8.270 nan 0.000 0.461 43 V N 4.740 124.713 119.914 0.098 0.000 2.495 43 V HA 0.282 4.402 4.120 0.000 0.000 0.298 43 V C -0.648 175.524 176.094 0.129 0.000 1.031 43 V CA -0.861 61.508 62.300 0.114 0.000 0.871 43 V CB 1.568 33.439 31.823 0.080 0.000 0.988 43 V HN 0.548 nan 8.190 nan 0.000 0.432 44 F N 4.684 124.641 119.950 0.011 0.000 2.404 44 F HA 0.771 5.298 4.527 0.000 0.000 0.358 44 F C 0.633 176.431 175.800 -0.003 0.000 1.120 44 F CA 1.074 59.075 58.000 0.003 0.000 1.144 44 F CB 0.599 39.602 39.000 0.005 0.000 1.133 44 F HN 0.835 nan 8.300 nan 0.000 0.495 45 G N 4.195 112.620 108.800 -0.625 0.000 2.255 45 G HA2 0.007 3.968 3.960 0.000 0.000 0.216 45 G HA3 0.007 3.968 3.960 0.000 0.000 0.216 45 G C -0.438 174.299 174.900 -0.271 0.000 1.307 45 G CA -0.576 44.223 45.100 -0.502 0.000 1.162 45 G HN 1.188 nan 8.290 nan 0.000 0.494 46 L N -0.470 120.641 121.223 -0.187 0.000 3.790 46 L HA -0.204 4.136 4.340 0.000 0.000 0.602 46 L C 1.017 177.814 176.870 -0.121 0.000 1.172 46 L CA 0.575 55.336 54.840 -0.132 0.000 0.901 46 L CB -1.291 40.699 42.059 -0.115 0.000 1.342 46 L HN 0.593 nan 8.230 nan 0.000 0.820 47 N N 0.204 118.833 118.700 -0.119 0.000 2.402 47 N HA 0.001 4.741 4.740 0.000 0.000 0.174 47 N C 1.429 176.898 175.510 -0.067 0.000 1.027 47 N CA 0.582 53.574 53.050 -0.097 0.000 0.891 47 N CB 0.077 38.502 38.487 -0.103 0.000 1.016 47 N HN 0.414 nan 8.380 nan 0.000 0.439 48 N N 0.623 119.286 118.700 -0.061 0.000 2.550 48 N HA 0.036 4.776 4.740 0.000 0.000 0.186 48 N C 0.159 175.644 175.510 -0.042 0.000 1.110 48 N CA 0.021 53.043 53.050 -0.046 0.000 0.912 48 N CB 0.010 38.472 38.487 -0.042 0.000 0.968 48 N HN 0.334 nan 8.380 nan 0.000 0.448 49 I N 0.799 121.340 120.570 -0.049 0.000 3.112 49 I HA -0.139 4.031 4.170 0.000 0.000 0.284 49 I C 0.344 176.441 176.117 -0.033 0.000 1.227 49 I CA 0.083 61.356 61.300 -0.045 0.000 1.369 49 I CB 0.572 38.539 38.000 -0.056 0.000 1.376 49 I HN 0.154 nan 8.210 nan 0.000 0.608 50 Q N 3.792 123.576 119.800 -0.026 0.000 2.195 50 Q HA 0.627 4.967 4.340 0.000 0.000 0.250 50 Q C -0.729 175.261 176.000 -0.016 0.000 0.988 50 Q CA -1.022 54.770 55.803 -0.017 0.000 0.911 50 Q CB 1.562 30.294 28.738 -0.011 0.000 1.258 50 Q HN 0.738 nan 8.270 nan 0.000 0.475 51 A N 0.876 123.689 122.820 -0.010 0.000 2.301 51 A HA 0.348 4.668 4.320 0.000 0.000 0.298 51 A C -0.118 177.464 177.584 -0.004 0.000 1.185 51 A CA -0.051 51.981 52.037 -0.008 0.000 0.830 51 A CB 0.160 19.157 19.000 -0.004 0.000 1.112 51 A HN 0.947 nan 8.150 nan 0.000 0.508 52 E N -0.417 119.781 120.200 -0.004 0.000 4.157 52 E HA -0.155 4.195 4.350 0.000 0.000 0.351 52 E C 0.053 176.669 176.600 0.026 0.000 0.691 52 E CA 1.107 57.511 56.400 0.008 0.000 1.380 52 E CB -1.179 28.525 29.700 0.007 0.000 1.727 52 E HN 0.889 nan 8.360 nan 0.000 0.402 53 E N 1.240 121.447 120.200 0.013 0.000 2.259 53 E HA 0.220 4.570 4.350 0.000 0.000 0.281 53 E C -0.397 176.223 176.600 0.034 0.000 1.037 53 E CA -0.483 55.928 56.400 0.017 0.000 0.854 53 E CB 0.611 30.307 29.700 -0.006 0.000 1.051 53 E HN 0.012 nan 8.360 nan 0.000 0.409 54 L N 5.799 127.059 121.223 0.063 0.000 2.584 54 L HA -0.015 4.325 4.340 0.000 0.000 0.272 54 L C -0.446 176.443 176.870 0.032 0.000 1.195 54 L CA 0.559 55.456 54.840 0.094 0.000 0.920 54 L CB 0.441 42.552 42.059 0.086 0.000 1.173 54 L HN 0.331 nan 8.230 nan 0.000 0.489 55 V N 1.473 121.397 119.914 0.016 0.000 2.864 55 V HA 0.672 4.792 4.120 0.000 0.000 0.314 55 V C -0.400 175.629 176.094 -0.109 0.000 1.073 55 V CA -0.883 61.360 62.300 -0.096 0.000 0.956 55 V CB 2.042 33.736 31.823 -0.214 0.000 1.023 55 V HN 0.701 nan 8.190 nan 0.000 0.435 56 E N 2.249 122.347 120.200 -0.170 0.000 2.187 56 E HA 0.536 4.886 4.350 0.000 0.000 0.268 56 E C -1.704 174.771 176.600 -0.208 0.000 0.896 56 E CA -0.434 55.914 56.400 -0.086 0.000 0.766 56 E CB 2.238 31.930 29.700 -0.013 0.000 1.142 56 E HN 0.679 nan 8.360 nan 0.000 0.408 57 F N 1.063 121.031 119.950 0.030 0.000 2.394 57 F HA 0.063 4.590 4.527 0.000 0.000 0.340 57 F C 1.677 177.490 175.800 0.021 0.000 1.105 57 F CA -0.581 57.433 58.000 0.023 0.000 1.124 57 F CB 1.381 40.395 39.000 0.023 0.000 1.145 57 F HN 0.376 nan 8.300 nan 0.000 0.505 58 S N -0.737 115.064 115.700 0.169 0.000 2.803 58 S HA -0.069 4.401 4.470 0.000 0.000 0.226 58 S C 1.062 175.721 174.600 0.098 0.000 0.962 58 S CA 0.473 58.734 58.200 0.101 0.000 0.968 58 S CB -0.867 62.372 63.200 0.066 0.000 0.786 58 S HN 0.646 nan 8.310 nan 0.000 0.527 59 S N -1.318 114.458 115.700 0.126 0.000 2.523 59 S HA 0.601 5.071 4.470 0.000 0.000 0.217 59 S C 1.463 176.109 174.600 0.076 0.000 0.996 59 S CA 0.222 58.471 58.200 0.081 0.000 0.921 59 S CB 0.168 63.403 63.200 0.059 0.000 0.829 59 S HN 1.182 nan 8.310 nan 0.000 0.495 60 G N 0.896 109.760 108.800 0.107 0.000 2.376 60 G HA2 -0.236 3.724 3.960 0.000 0.000 0.208 60 G HA3 -0.236 3.724 3.960 0.000 0.000 0.208 60 G C 0.132 175.105 174.900 0.121 0.000 1.032 60 G CA -0.229 44.926 45.100 0.093 0.000 0.641 60 G HN 1.061 nan 8.290 nan 0.000 0.503 61 V N 2.988 122.977 119.914 0.126 0.000 2.540 61 V HA 0.457 4.577 4.120 0.000 0.000 0.297 61 V C 0.681 176.950 176.094 0.292 0.000 1.024 61 V CA 0.499 62.876 62.300 0.129 0.000 1.105 61 V CB 0.603 32.421 31.823 -0.008 0.000 0.938 61 V HN 0.381 nan 8.190 nan 0.000 0.482 62 K N 4.772 125.337 120.400 0.274 0.000 2.090 62 K HA 0.752 5.072 4.320 0.000 0.000 0.249 62 K C 0.268 177.144 176.600 0.460 0.000 0.995 62 K CA 0.131 56.627 56.287 0.349 0.000 0.914 62 K CB 1.659 34.318 32.500 0.265 0.000 1.057 62 K HN 0.931 nan 8.250 nan 0.000 0.462 63 G N 0.365 109.425 108.800 0.435 0.000 2.911 63 G HA2 0.680 4.640 3.960 0.000 0.000 0.299 63 G HA3 0.680 4.640 3.960 0.000 0.000 0.299 63 G C -1.705 173.283 174.900 0.148 0.000 1.283 63 G CA -0.586 44.679 45.100 0.274 0.000 0.805 63 G HN 0.500 nan 8.290 nan 0.000 0.548 64 M N -0.118 119.455 119.600 -0.045 0.000 2.342 64 M HA 0.566 5.046 4.480 0.000 0.000 0.276 64 M C -1.764 174.491 176.300 -0.075 0.000 1.054 64 M CA -0.610 54.667 55.300 -0.038 0.000 0.930 64 M CB 1.467 34.031 32.600 -0.060 0.000 1.929 64 M HN 1.097 nan 8.290 nan 0.000 0.492 65 A N 4.287 127.083 122.820 -0.040 0.000 2.306 65 A HA 0.793 5.113 4.320 0.000 0.000 0.314 65 A C -0.408 177.150 177.584 -0.043 0.000 1.164 65 A CA -0.460 51.552 52.037 -0.042 0.000 0.822 65 A CB 0.794 19.773 19.000 -0.036 0.000 1.130 65 A HN 0.992 nan 8.150 nan 0.000 0.496 66 L N 0.972 122.167 121.223 -0.048 0.000 3.327 66 L HA 0.245 4.585 4.340 0.000 0.000 0.299 66 L C 0.002 176.858 176.870 -0.024 0.000 1.201 66 L CA 0.107 54.923 54.840 -0.041 0.000 1.059 66 L CB 0.364 42.382 42.059 -0.068 0.000 1.488 66 L HN 0.646 nan 8.230 nan 0.000 0.609 67 N N 0.641 119.326 118.700 -0.024 0.000 2.392 67 N HA 0.618 5.358 4.740 0.000 0.000 0.283 67 N C -1.442 174.061 175.510 -0.012 0.000 1.003 67 N CA -0.217 52.824 53.050 -0.014 0.000 0.892 67 N CB 1.585 40.063 38.487 -0.015 0.000 1.193 67 N HN -0.174 nan 8.380 nan 0.000 0.487 68 L N 2.238 123.457 121.223 -0.007 0.000 2.446 68 L HA 0.457 4.797 4.340 0.000 0.000 0.268 68 L C 0.124 176.993 176.870 -0.003 0.000 0.975 68 L CA -0.308 54.527 54.840 -0.009 0.000 0.848 68 L CB 1.226 43.276 42.059 -0.014 0.000 1.225 68 L HN 0.641 nan 8.230 nan 0.000 0.410 69 E N 3.553 123.753 120.200 0.001 0.000 2.672 69 E HA 0.531 4.881 4.350 0.000 0.000 0.235 69 E C -1.348 175.258 176.600 0.009 0.000 0.906 69 E CA -1.181 55.224 56.400 0.008 0.000 0.973 69 E CB 0.992 30.701 29.700 0.014 0.000 1.478 69 E HN 0.372 nan 8.360 nan 0.000 0.430 70 P HA -0.091 nan 4.420 nan 0.000 0.205 70 P C 0.931 178.253 177.300 0.036 0.000 1.203 70 P CA 1.231 64.345 63.100 0.023 0.000 0.926 70 P CB -0.267 31.451 31.700 0.029 0.000 0.767 71 G N -0.809 108.033 108.800 0.071 0.000 2.985 71 G HA2 0.113 4.073 3.960 0.000 0.000 0.209 71 G HA3 0.113 4.073 3.960 0.000 0.000 0.209 71 G C 0.638 175.644 174.900 0.177 0.000 1.165 71 G CA 0.014 45.201 45.100 0.144 0.000 0.776 71 G HN 0.626 nan 8.290 nan 0.000 0.541 72 Q N -1.700 118.154 119.800 0.089 0.000 2.707 72 Q HA 0.645 4.985 4.340 0.000 0.000 0.307 72 Q C -2.031 173.986 176.000 0.029 0.000 0.934 72 Q CA -0.977 54.876 55.803 0.083 0.000 0.753 72 Q CB 2.021 30.819 28.738 0.099 0.000 1.478 72 Q HN -0.071 nan 8.270 nan 0.000 0.458 73 V N 0.642 120.572 119.914 0.028 0.000 2.447 73 V HA 0.554 4.674 4.120 0.000 0.000 0.292 73 V C 0.074 176.179 176.094 0.019 0.000 1.021 73 V CA -0.388 61.917 62.300 0.007 0.000 0.850 73 V CB 1.396 33.210 31.823 -0.015 0.000 1.005 73 V HN 0.862 nan 8.190 nan 0.000 0.426 74 G N 5.315 114.120 108.800 0.008 0.000 2.356 74 G HA2 0.555 4.515 3.960 0.000 0.000 0.273 74 G HA3 0.555 4.515 3.960 0.000 0.000 0.273 74 G C -0.528 174.371 174.900 -0.001 0.000 1.213 74 G CA -0.015 45.087 45.100 0.004 0.000 0.955 74 G HN 0.624 nan 8.290 nan 0.000 0.454 75 I N 2.629 123.212 120.570 0.021 0.000 2.436 75 I HA 0.277 4.447 4.170 0.000 0.000 0.289 75 I C 0.128 176.245 176.117 0.000 0.000 1.010 75 I CA -1.111 60.208 61.300 0.032 0.000 1.098 75 I CB 2.284 40.365 38.000 0.134 0.000 1.266 75 I HN 0.373 nan 8.210 nan 0.000 0.434 76 V N 5.431 125.302 119.914 -0.072 0.000 2.472 76 V HA 0.591 4.711 4.120 0.000 0.000 0.290 76 V C -0.316 175.659 176.094 -0.198 0.000 1.037 76 V CA -0.710 61.508 62.300 -0.136 0.000 0.908 76 V CB 1.422 33.132 31.823 -0.188 0.000 0.985 76 V HN 0.500 nan 8.190 nan 0.000 0.454 77 L N 3.676 124.798 121.223 -0.168 0.000 2.307 77 L HA 0.484 4.824 4.340 0.000 0.000 0.282 77 L C 0.394 177.179 176.870 -0.141 0.000 1.051 77 L CA -0.423 54.335 54.840 -0.136 0.000 0.804 77 L CB 1.231 43.223 42.059 -0.111 0.000 1.197 77 L HN 0.577 nan 8.230 nan 0.000 0.431 78 F N 0.887 120.873 119.950 0.060 0.000 2.811 78 F HA 0.161 4.688 4.527 0.000 0.000 0.301 78 F C 1.394 177.215 175.800 0.037 0.000 1.151 78 F CA 0.210 58.244 58.000 0.057 0.000 1.412 78 F CB 0.128 39.171 39.000 0.072 0.000 1.113 78 F HN 0.599 nan 8.300 nan 0.000 0.579 79 G N -1.669 107.225 108.800 0.158 0.000 3.190 79 G HA2 0.417 4.377 3.960 0.000 0.000 0.191 79 G HA3 0.417 4.377 3.960 0.000 0.000 0.191 79 G C -0.681 174.232 174.900 0.021 0.000 1.523 79 G CA 0.098 45.249 45.100 0.086 0.000 0.842 79 G HN 0.059 nan 8.290 nan 0.000 0.782 80 S N -0.433 115.256 115.700 -0.019 0.000 2.704 80 S HA 0.497 4.967 4.470 0.000 0.000 0.296 80 S C -1.160 173.379 174.600 -0.101 0.000 1.138 80 S CA 0.140 58.313 58.200 -0.046 0.000 0.875 80 S CB 1.876 65.061 63.200 -0.027 0.000 1.151 80 S HN 0.618 nan 8.310 nan 0.000 0.500 81 D N 0.276 120.618 120.400 -0.096 0.000 2.571 81 D HA 0.145 4.785 4.640 0.000 0.000 0.239 81 D C 0.772 177.019 176.300 -0.087 0.000 1.267 81 D CA -0.263 53.661 54.000 -0.126 0.000 0.823 81 D CB -0.049 40.676 40.800 -0.124 0.000 1.056 81 D HN 0.458 nan 8.370 nan 0.000 0.494 82 R N 0.133 120.595 120.500 -0.064 0.000 2.115 82 R HA 0.129 4.469 4.340 0.000 0.000 0.230 82 R C 2.032 178.305 176.300 -0.045 0.000 1.111 82 R CA 0.801 56.875 56.100 -0.043 0.000 0.976 82 R CB -0.454 29.828 30.300 -0.029 0.000 0.870 82 R HN 0.160 nan 8.270 nan 0.000 0.445 83 L N 0.573 121.761 121.223 -0.059 0.000 2.509 83 L HA 0.157 4.497 4.340 0.000 0.000 0.222 83 L C -0.021 176.810 176.870 -0.064 0.000 1.123 83 L CA -0.166 54.645 54.840 -0.050 0.000 0.856 83 L CB 0.336 42.370 42.059 -0.042 0.000 0.985 83 L HN -0.071 nan 8.230 nan 0.000 0.456 84 V N 1.000 120.849 119.914 -0.108 0.000 2.383 84 V HA 0.268 4.388 4.120 0.000 0.000 0.275 84 V C -0.062 175.996 176.094 -0.059 0.000 1.036 84 V CA -0.530 61.695 62.300 -0.125 0.000 0.889 84 V CB 1.136 32.790 31.823 -0.281 0.000 0.985 84 V HN 0.185 nan 8.190 nan 0.000 0.459 85 K N 2.502 122.893 120.400 -0.015 0.000 2.350 85 K HA 0.482 4.802 4.320 0.000 0.000 0.241 85 K C -0.342 176.273 176.600 0.024 0.000 0.994 85 K CA -0.905 55.383 56.287 0.002 0.000 0.839 85 K CB 2.191 34.695 32.500 0.007 0.000 1.244 85 K HN 0.713 nan 8.250 nan 0.000 0.443 86 E N 0.694 120.906 120.200 0.020 0.000 2.292 86 E HA 0.086 4.436 4.350 0.000 0.000 0.265 86 E C 0.167 176.790 176.600 0.037 0.000 1.093 86 E CA 0.561 56.979 56.400 0.030 0.000 0.922 86 E CB -0.202 29.508 29.700 0.016 0.000 1.001 86 E HN 0.777 nan 8.360 nan 0.000 0.444 87 G N 3.767 112.601 108.800 0.056 0.000 2.148 87 G HA2 -0.274 3.686 3.960 0.000 0.000 0.203 87 G HA3 -0.274 3.686 3.960 0.000 0.000 0.203 87 G C -0.088 174.851 174.900 0.065 0.000 0.993 87 G CA 0.170 45.305 45.100 0.058 0.000 0.661 87 G HN 0.672 nan 8.290 nan 0.000 0.518 88 E N 0.266 120.514 120.200 0.081 0.000 2.313 88 E HA 0.650 5.000 4.350 0.000 0.000 0.272 88 E C 0.113 176.781 176.600 0.115 0.000 1.038 88 E CA -1.055 55.400 56.400 0.092 0.000 0.863 88 E CB 1.306 31.063 29.700 0.095 0.000 1.060 88 E HN 0.144 nan 8.360 nan 0.000 0.402 89 L N 3.427 124.705 121.223 0.091 0.000 2.410 89 L HA 0.112 4.452 4.340 0.000 0.000 0.273 89 L C -0.861 176.037 176.870 0.046 0.000 1.144 89 L CA 0.056 54.932 54.840 0.061 0.000 0.863 89 L CB 1.205 43.288 42.059 0.039 0.000 1.140 89 L HN 0.507 nan 8.230 nan 0.000 0.463 90 V N 5.576 125.475 119.914 -0.024 0.000 2.311 90 V HA 0.348 4.468 4.120 0.000 0.000 0.275 90 V C 0.242 176.238 176.094 -0.163 0.000 1.022 90 V CA -0.838 61.356 62.300 -0.176 0.000 0.830 90 V CB 0.964 32.648 31.823 -0.233 0.000 1.012 90 V HN 0.627 nan 8.190 nan 0.000 0.452 91 K N 3.882 124.185 120.400 -0.162 0.000 2.098 91 K HA 0.606 4.926 4.320 0.000 0.000 0.261 91 K C 0.112 176.628 176.600 -0.139 0.000 0.987 91 K CA -0.725 55.495 56.287 -0.112 0.000 0.916 91 K CB 1.433 33.895 32.500 -0.063 0.000 1.039 91 K HN 0.590 nan 8.250 nan 0.000 0.455 92 R N -0.341 120.101 120.500 -0.096 0.000 2.602 92 R HA 0.310 4.650 4.340 0.000 0.000 0.237 92 R C 0.423 176.691 176.300 -0.053 0.000 1.219 92 R CA -0.336 55.714 56.100 -0.084 0.000 1.121 92 R CB 1.018 31.277 30.300 -0.069 0.000 1.408 92 R HN 0.659 nan 8.270 nan 0.000 0.559 93 T N -1.799 112.734 114.554 -0.037 0.000 3.010 93 T HA 0.175 4.525 4.350 0.000 0.000 0.253 93 T C 0.756 175.448 174.700 -0.014 0.000 0.939 93 T CA 0.175 62.264 62.100 -0.018 0.000 0.910 93 T CB 1.003 69.868 68.868 -0.004 0.000 1.226 93 T HN 0.828 nan 8.240 nan 0.000 0.508 94 G N 2.422 111.212 108.800 -0.017 0.000 2.272 94 G HA2 -0.224 3.736 3.960 0.000 0.000 0.280 94 G HA3 -0.224 3.736 3.960 0.000 0.000 0.280 94 G C -0.450 174.447 174.900 -0.004 0.000 1.067 94 G CA -0.120 44.972 45.100 -0.013 0.000 0.902 94 G HN 0.596 nan 8.290 nan 0.000 0.500 95 N N -0.415 118.287 118.700 0.003 0.000 2.371 95 N HA 0.526 5.266 4.740 0.000 0.000 0.291 95 N C 0.108 175.630 175.510 0.020 0.000 1.053 95 N CA -1.109 51.947 53.050 0.010 0.000 0.870 95 N CB 1.317 39.811 38.487 0.011 0.000 1.503 95 N HN 0.050 nan 8.380 nan 0.000 0.485 96 I N 1.995 122.575 120.570 0.017 0.000 2.648 96 I HA 0.034 4.204 4.170 0.000 0.000 0.284 96 I C 0.582 176.718 176.117 0.033 0.000 1.153 96 I CA -0.327 60.987 61.300 0.024 0.000 1.426 96 I CB 0.180 38.188 38.000 0.013 0.000 1.381 96 I HN 0.295 nan 8.210 nan 0.000 0.571 97 V N 6.688 126.635 119.914 0.055 0.000 2.539 97 V HA -0.069 4.051 4.120 0.000 0.000 0.300 97 V C 0.060 176.174 176.094 0.033 0.000 1.019 97 V CA 0.105 62.443 62.300 0.062 0.000 1.160 97 V CB -0.745 31.149 31.823 0.118 0.000 0.901 97 V HN 0.861 nan 8.190 nan 0.000 0.481 98 D N 3.595 124.005 120.400 0.016 0.000 2.547 98 D HA 0.737 5.377 4.640 0.000 0.000 0.231 98 D C -0.481 175.814 176.300 -0.008 0.000 1.099 98 D CA -0.702 53.303 54.000 0.008 0.000 0.901 98 D CB 2.102 42.906 40.800 0.007 0.000 1.478 98 D HN 0.524 nan 8.370 nan 0.000 0.471 99 V N -4.386 115.524 119.914 -0.007 0.000 3.040 99 V HA 0.776 4.896 4.120 0.000 0.000 0.312 99 V C -2.824 173.249 176.094 -0.035 0.000 1.115 99 V CA -2.532 59.754 62.300 -0.024 0.000 0.998 99 V CB 1.930 33.742 31.823 -0.019 0.000 1.042 99 V HN 0.529 nan 8.190 nan 0.000 0.433 100 P HA 0.282 nan 4.420 nan 0.000 0.267 100 P C -0.376 176.856 177.300 -0.113 0.000 1.205 100 P CA 0.329 63.379 63.100 -0.083 0.000 0.765 100 P CB 1.171 32.820 31.700 -0.085 0.000 0.828 101 V N 0.097 119.908 119.914 -0.172 0.000 3.126 101 V HA 1.017 5.137 4.120 0.000 0.000 0.314 101 V C 0.007 175.731 176.094 -0.617 0.000 1.138 101 V CA -0.148 61.986 62.300 -0.277 0.000 1.034 101 V CB 1.461 33.199 31.823 -0.141 0.000 1.075 101 V HN 0.964 nan 8.190 nan 0.000 0.442 102 G N 1.592 109.750 108.800 -1.070 0.000 2.331 102 G HA2 0.160 4.120 3.960 0.000 0.000 0.402 102 G HA3 0.160 4.120 3.960 0.000 0.000 0.402 102 G C -2.648 171.384 174.900 -1.447 0.000 1.275 102 G CA 0.058 43.957 45.100 -2.002 0.000 1.003 102 G HN 0.771 nan 8.290 nan 0.000 0.500 103 P HA 0.110 nan 4.420 nan 0.000 0.227 103 P C 1.600 178.755 177.300 -0.242 0.000 1.161 103 P CA 1.723 64.490 63.100 -0.555 0.000 0.788 103 P CB -0.013 31.520 31.700 -0.279 0.000 0.822 104 G N -0.373 108.262 108.800 -0.275 0.000 3.026 104 G HA2 0.013 3.973 3.960 0.000 0.000 0.208 104 G HA3 0.013 3.973 3.960 0.000 0.000 0.208 104 G C 1.094 175.922 174.900 -0.119 0.000 1.169 104 G CA -0.008 45.003 45.100 -0.149 0.000 0.788 104 G HN 0.178 nan 8.290 nan 0.000 0.533 105 L N 0.080 121.222 121.223 -0.135 0.000 2.477 105 L HA 0.349 4.689 4.340 0.000 0.000 0.220 105 L C 1.372 178.246 176.870 0.006 0.000 1.106 105 L CA 0.063 54.863 54.840 -0.066 0.000 0.851 105 L CB -0.010 42.002 42.059 -0.078 0.000 0.994 105 L HN 0.106 nan 8.230 nan 0.000 0.462 106 L N 0.043 121.293 121.223 0.045 0.000 2.506 106 L HA 0.091 4.431 4.340 0.000 0.000 0.281 106 L C 1.506 178.400 176.870 0.041 0.000 1.228 106 L CA 0.745 55.639 54.840 0.089 0.000 0.850 106 L CB -0.346 41.802 42.059 0.148 0.000 1.110 106 L HN 0.427 nan 8.230 nan 0.000 0.496 107 G N 1.435 110.249 108.800 0.024 0.000 2.187 107 G HA2 -0.241 3.719 3.960 0.000 0.000 0.261 107 G HA3 -0.241 3.719 3.960 0.000 0.000 0.261 107 G C 0.225 175.116 174.900 -0.015 0.000 1.000 107 G CA -0.004 45.089 45.100 -0.011 0.000 0.718 107 G HN 0.508 nan 8.290 nan 0.000 0.519 108 R N -1.122 119.373 120.500 -0.007 0.000 2.854 108 R HA 0.708 5.048 4.340 0.000 0.000 0.271 108 R C -0.580 175.716 176.300 -0.006 0.000 0.994 108 R CA -0.829 55.264 56.100 -0.011 0.000 0.945 108 R CB 2.001 32.293 30.300 -0.013 0.000 1.194 108 R HN 0.187 nan 8.270 nan 0.000 0.476 109 V N 2.462 122.371 119.914 -0.008 0.000 2.409 109 V HA 0.455 4.575 4.120 0.000 0.000 0.291 109 V C 0.300 176.394 176.094 -0.001 0.000 1.020 109 V CA -0.638 61.661 62.300 -0.000 0.000 0.848 109 V CB 1.527 33.347 31.823 -0.004 0.000 0.990 109 V HN 0.629 nan 8.190 nan 0.000 0.430 110 V N 1.500 121.417 119.914 0.005 0.000 3.145 110 V HA 0.845 4.966 4.120 0.000 0.000 0.311 110 V C -0.680 175.416 176.094 0.004 0.000 1.238 110 V CA -0.708 61.591 62.300 -0.002 0.000 1.066 110 V CB 2.207 34.023 31.823 -0.011 0.000 1.144 110 V HN 0.772 nan 8.190 nan 0.000 0.465 111 D N -0.199 120.198 120.400 -0.005 0.000 2.666 111 D HA 0.555 5.195 4.640 0.000 0.000 0.252 111 D C 0.559 176.853 176.300 -0.010 0.000 1.143 111 D CA -0.203 53.796 54.000 -0.002 0.000 1.096 111 D CB 1.623 42.418 40.800 -0.009 0.000 1.260 111 D HN 0.924 nan 8.370 nan 0.000 0.633 112 A N -0.697 122.117 122.820 -0.009 0.000 2.265 112 A HA 0.272 4.592 4.320 0.000 0.000 0.213 112 A C 1.188 178.715 177.584 -0.095 0.000 1.255 112 A CA 0.156 52.187 52.037 -0.010 0.000 0.862 112 A CB -0.946 18.084 19.000 0.049 0.000 0.852 112 A HN 0.436 nan 8.150 nan 0.000 0.484 113 L N -3.074 118.079 121.223 -0.116 0.000 3.360 113 L HA 0.342 4.682 4.340 0.000 0.000 0.303 113 L C 1.432 178.246 176.870 -0.093 0.000 1.218 113 L CA 0.392 55.136 54.840 -0.160 0.000 1.059 113 L CB 0.411 42.323 42.059 -0.246 0.000 1.468 113 L HN 0.407 nan 8.230 nan 0.000 0.614 114 G N 0.253 109.016 108.800 -0.062 0.000 2.199 114 G HA2 -0.261 3.699 3.960 0.000 0.000 0.254 114 G HA3 -0.261 3.699 3.960 0.000 0.000 0.254 114 G C 0.136 175.008 174.900 -0.046 0.000 0.982 114 G CA -0.056 45.015 45.100 -0.049 0.000 0.632 114 G HN 0.354 nan 8.290 nan 0.000 0.529 115 N N 2.634 121.305 118.700 -0.047 0.000 2.492 115 N HA 0.351 5.091 4.740 0.000 0.000 0.262 115 N C -2.407 173.087 175.510 -0.027 0.000 1.202 115 N CA -0.593 52.435 53.050 -0.037 0.000 0.926 115 N CB 0.879 39.344 38.487 -0.036 0.000 1.078 115 N HN 0.288 nan 8.380 nan 0.000 0.454 116 P HA 0.134 nan 4.420 nan 0.000 0.276 116 P C 0.529 177.822 177.300 -0.012 0.000 1.230 116 P CA -0.127 62.962 63.100 -0.018 0.000 0.776 116 P CB 0.624 32.312 31.700 -0.020 0.000 0.888 117 I N -0.574 119.992 120.570 -0.007 0.000 4.082 117 I HA 0.125 4.295 4.170 0.000 0.000 0.337 117 I C 0.682 176.797 176.117 -0.004 0.000 1.352 117 I CA -0.146 61.152 61.300 -0.003 0.000 1.097 117 I CB -0.226 37.776 38.000 0.003 0.000 1.048 117 I HN 0.052 nan 8.210 nan 0.000 0.393 118 D N 2.220 122.616 120.400 -0.007 0.000 2.183 118 D HA 0.057 4.698 4.640 0.000 0.000 0.203 118 D C 1.592 177.886 176.300 -0.009 0.000 0.969 118 D CA 1.223 55.218 54.000 -0.009 0.000 0.842 118 D CB -0.335 40.457 40.800 -0.013 0.000 0.957 118 D HN 0.450 nan 8.370 nan 0.000 0.484 119 G N -0.032 108.763 108.800 -0.009 0.000 2.427 119 G HA2 -0.189 3.771 3.960 0.000 0.000 0.193 119 G HA3 -0.189 3.771 3.960 0.000 0.000 0.193 119 G C -0.248 174.646 174.900 -0.010 0.000 1.086 119 G CA -0.291 44.804 45.100 -0.008 0.000 0.818 119 G HN 0.339 nan 8.290 nan 0.000 0.490 120 K N 0.396 120.789 120.400 -0.011 0.000 3.146 120 K HA 0.527 4.847 4.320 0.000 0.000 0.168 120 K C 1.208 177.800 176.600 -0.014 0.000 1.075 120 K CA -0.005 56.274 56.287 -0.012 0.000 0.843 120 K CB 0.950 33.442 32.500 -0.013 0.000 1.002 120 K HN 1.509 nan 8.250 nan 0.000 0.597 121 G N 2.420 111.213 108.800 -0.013 0.000 2.564 121 G HA2 -0.281 3.679 3.960 0.000 0.000 0.273 121 G HA3 -0.281 3.679 3.960 0.000 0.000 0.273 121 G C -2.470 172.419 174.900 -0.017 0.000 1.242 121 G CA -0.755 44.337 45.100 -0.014 0.000 0.951 121 G HN 0.310 nan 8.290 nan 0.000 0.564 122 P HA 0.598 nan 4.420 nan 0.000 0.282 122 P C -0.007 177.274 177.300 -0.032 0.000 1.259 122 P CA -0.827 62.258 63.100 -0.025 0.000 0.826 122 P CB 0.771 32.456 31.700 -0.024 0.000 1.064 123 I N 1.749 122.295 120.570 -0.039 0.000 2.519 123 I HA 0.160 4.330 4.170 0.000 0.000 0.287 123 I C 0.386 176.466 176.117 -0.061 0.000 1.047 123 I CA 0.280 61.550 61.300 -0.051 0.000 1.381 123 I CB 0.308 38.273 38.000 -0.058 0.000 1.417 123 I HN 0.234 nan 8.210 nan 0.000 0.540 124 D N 5.097 125.454 120.400 -0.072 0.000 2.303 124 D HA 0.563 5.203 4.640 0.000 0.000 0.236 124 D C -0.327 175.899 176.300 -0.124 0.000 1.068 124 D CA -0.076 53.875 54.000 -0.081 0.000 0.830 124 D CB 2.282 43.043 40.800 -0.065 0.000 1.109 124 D HN 0.612 nan 8.370 nan 0.000 0.496 125 A N 1.348 124.091 122.820 -0.128 0.000 2.309 125 A HA 0.755 5.075 4.320 0.000 0.000 0.317 125 A C 0.206 177.684 177.584 -0.176 0.000 1.134 125 A CA -0.390 51.537 52.037 -0.185 0.000 0.866 125 A CB 1.572 20.480 19.000 -0.153 0.000 1.329 125 A HN 0.488 nan 8.150 nan 0.000 0.477 126 A N -1.005 121.674 122.820 -0.236 0.000 2.508 126 A HA 0.627 4.947 4.320 0.000 0.000 0.250 126 A C 0.722 178.287 177.584 -0.031 0.000 1.208 126 A CA 0.938 52.902 52.037 -0.121 0.000 0.960 126 A CB -0.200 18.734 19.000 -0.109 0.000 1.099 126 A HN 2.297 nan 8.150 nan 0.000 0.542 127 G N -0.707 108.051 108.800 -0.070 0.000 2.321 127 G HA2 0.518 4.478 3.960 0.000 0.000 0.296 127 G HA3 0.518 4.478 3.960 0.000 0.000 0.296 127 G C -1.637 173.244 174.900 -0.032 0.000 1.287 127 G CA -0.853 44.243 45.100 -0.007 0.000 0.846 127 G HN 0.202 nan 8.290 nan 0.000 0.508 128 R N -0.215 120.285 120.500 -0.000 0.000 2.510 128 R HA 0.610 4.950 4.340 0.000 0.000 0.287 128 R C -1.075 175.236 176.300 0.018 0.000 1.084 128 R CA -0.545 55.551 56.100 -0.006 0.000 0.934 128 R CB 2.168 32.460 30.300 -0.012 0.000 1.201 128 R HN 0.495 nan 8.270 nan 0.000 0.431 129 S N 2.133 117.848 115.700 0.024 0.000 2.509 129 S HA 0.448 4.918 4.470 0.000 0.000 0.297 129 S C -0.123 174.494 174.600 0.029 0.000 1.118 129 S CA -0.807 57.415 58.200 0.038 0.000 1.074 129 S CB 1.415 64.651 63.200 0.060 0.000 1.038 129 S HN 0.358 nan 8.310 nan 0.000 0.498 130 R N 1.052 121.568 120.500 0.027 0.000 2.594 130 R HA 0.265 4.605 4.340 0.000 0.000 0.272 130 R C 1.376 177.693 176.300 0.029 0.000 1.074 130 R CA -0.056 56.057 56.100 0.022 0.000 1.105 130 R CB 0.247 30.556 30.300 0.015 0.000 1.008 130 R HN 0.778 nan 8.270 nan 0.000 0.472 131 A N 2.882 125.719 122.820 0.027 0.000 1.883 131 A HA -0.144 4.176 4.320 0.000 0.000 0.217 131 A C 0.660 178.247 177.584 0.004 0.000 1.186 131 A CA 1.289 53.349 52.037 0.038 0.000 0.624 131 A CB -0.001 19.027 19.000 0.045 0.000 0.822 131 A HN 0.555 nan 8.150 nan 0.000 0.444 132 Q N 0.561 120.328 119.800 -0.055 0.000 2.456 132 Q HA 0.415 4.755 4.340 0.000 0.000 0.234 132 Q C -1.119 174.863 176.000 -0.030 0.000 1.061 132 Q CA -0.050 55.690 55.803 -0.104 0.000 0.896 132 Q CB 1.009 29.641 28.738 -0.177 0.000 1.233 132 Q HN 0.212 nan 8.270 nan 0.000 0.506 133 V N 2.786 122.706 119.914 0.009 0.000 2.481 133 V HA 0.237 4.357 4.120 0.000 0.000 0.286 133 V C 0.462 176.573 176.094 0.028 0.000 1.042 133 V CA -0.564 61.753 62.300 0.028 0.000 0.928 133 V CB 1.699 33.554 31.823 0.053 0.000 0.986 133 V HN 0.517 nan 8.190 nan 0.000 0.462 134 K N 2.817 123.234 120.400 0.029 0.000 2.218 134 K HA 0.591 4.911 4.320 0.000 0.000 0.276 134 K C 0.196 176.821 176.600 0.042 0.000 1.022 134 K CA -0.227 56.082 56.287 0.037 0.000 0.946 134 K CB 1.133 33.655 32.500 0.037 0.000 1.000 134 K HN 0.857 nan 8.250 nan 0.000 0.468 135 A N 4.648 127.496 122.820 0.048 0.000 2.445 135 A HA 0.204 4.524 4.320 0.000 0.000 0.242 135 A C -2.036 175.572 177.584 0.040 0.000 1.075 135 A CA -1.146 50.918 52.037 0.046 0.000 0.777 135 A CB -0.463 18.566 19.000 0.049 0.000 1.013 135 A HN 0.499 nan 8.150 nan 0.000 0.493 136 P HA 0.077 nan 4.420 nan 0.000 0.260 136 P C 0.648 177.966 177.300 0.029 0.000 1.172 136 P CA 0.768 63.886 63.100 0.030 0.000 0.760 136 P CB 0.236 31.953 31.700 0.030 0.000 0.773 137 G N 2.169 110.984 108.800 0.025 0.000 2.504 137 G HA2 0.232 4.192 3.960 0.000 0.000 0.257 137 G HA3 0.232 4.192 3.960 0.000 0.000 0.257 137 G C 1.053 175.965 174.900 0.020 0.000 1.451 137 G CA -0.552 44.562 45.100 0.025 0.000 1.059 137 G HN 0.272 nan 8.290 nan 0.000 0.550 138 I N -0.615 119.966 120.570 0.018 0.000 2.045 138 I HA -0.108 4.062 4.170 0.000 0.000 0.233 138 I C 2.587 178.710 176.117 0.010 0.000 1.048 138 I CA 1.011 62.319 61.300 0.014 0.000 1.313 138 I CB -0.565 37.442 38.000 0.013 0.000 1.043 138 I HN 0.270 nan 8.210 nan 0.000 0.393 139 L N 0.994 122.222 121.223 0.007 0.000 2.156 139 L HA -0.001 4.339 4.340 0.000 0.000 0.208 139 L C -0.802 176.070 176.870 0.003 0.000 1.095 139 L CA 1.689 56.531 54.840 0.003 0.000 0.770 139 L CB -1.819 40.241 42.059 0.002 0.000 0.914 139 L HN 0.143 nan 8.230 nan 0.000 0.439 140 P HA -0.084 nan 4.420 nan 0.000 0.249 140 P C -0.201 177.103 177.300 0.007 0.000 1.227 140 P CA 0.896 63.999 63.100 0.006 0.000 0.753 140 P CB -0.086 31.619 31.700 0.009 0.000 0.966 141 R N -0.737 119.766 120.500 0.005 0.000 3.029 141 R HA 0.747 5.088 4.340 0.000 0.000 0.239 141 R C 0.025 176.321 176.300 -0.006 0.000 1.351 141 R CA -0.957 55.147 56.100 0.006 0.000 1.052 141 R CB 1.867 32.173 30.300 0.009 0.000 1.354 141 R HN -0.138 nan 8.270 nan 0.000 0.499 142 R N -0.224 120.270 120.500 -0.010 0.000 2.629 142 R HA 0.260 4.600 4.340 0.000 0.000 0.266 142 R C -1.297 174.977 176.300 -0.042 0.000 1.051 142 R CA -0.486 55.592 56.100 -0.036 0.000 0.895 142 R CB 1.726 32.000 30.300 -0.044 0.000 1.246 142 R HN 0.751 nan 8.270 nan 0.000 0.459 143 S N 1.287 116.943 115.700 -0.073 0.000 2.550 143 S HA 0.048 4.518 4.470 0.000 0.000 0.285 143 S C 0.139 174.713 174.600 -0.043 0.000 1.326 143 S CA -0.514 57.648 58.200 -0.064 0.000 1.037 143 S CB 0.709 63.855 63.200 -0.090 0.000 0.838 143 S HN 0.358 nan 8.310 nan 0.000 0.519 144 V N 4.077 123.998 119.914 0.011 0.000 2.406 144 V HA 0.288 4.408 4.120 0.000 0.000 0.272 144 V C 0.912 177.085 176.094 0.132 0.000 1.043 144 V CA -0.188 62.154 62.300 0.069 0.000 0.915 144 V CB 0.435 32.277 31.823 0.032 0.000 0.988 144 V HN 1.114 nan 8.190 nan 0.000 0.466 145 H N 1.950 120.986 119.070 -0.056 0.000 3.726 145 H HA 0.324 4.881 4.556 0.000 0.000 0.262 145 H C 0.096 175.375 175.328 -0.082 0.000 1.181 145 H CA -0.483 55.531 56.048 -0.057 0.000 1.143 145 H CB 0.294 30.029 29.762 -0.045 0.000 1.627 145 H HN 0.554 nan 8.280 nan 0.000 0.750 146 E N 4.548 124.603 120.200 -0.242 0.000 2.115 146 E HA 0.267 4.617 4.350 0.000 0.000 0.282 146 E C -2.491 173.972 176.600 -0.227 0.000 0.987 146 E CA -2.103 54.089 56.400 -0.346 0.000 0.797 146 E CB 1.864 31.330 29.700 -0.389 0.000 1.086 146 E HN 0.236 nan 8.360 nan 0.000 0.397 147 P HA -0.038 nan 4.420 nan 0.000 0.266 147 P C -0.473 176.685 177.300 -0.237 0.000 1.195 147 P CA 0.008 62.995 63.100 -0.188 0.000 0.768 147 P CB 0.731 32.326 31.700 -0.175 0.000 0.838 148 V N 4.577 124.385 119.914 -0.178 0.000 2.304 148 V HA 0.153 4.273 4.120 0.000 0.000 0.278 148 V C 0.414 176.431 176.094 -0.129 0.000 1.018 148 V CA -0.314 61.876 62.300 -0.184 0.000 0.814 148 V CB 0.736 32.487 31.823 -0.120 0.000 1.021 148 V HN 0.454 nan 8.190 nan 0.000 0.440 149 Q N 2.117 121.819 119.800 -0.164 0.000 2.323 149 Q HA 0.167 4.507 4.340 0.000 0.000 0.257 149 Q C 1.406 177.444 176.000 0.064 0.000 1.022 149 Q CA 0.181 55.972 55.803 -0.019 0.000 0.919 149 Q CB 1.254 30.037 28.738 0.076 0.000 1.220 149 Q HN 0.937 nan 8.270 nan 0.000 0.427 150 T N -0.788 113.796 114.554 0.050 0.000 2.978 150 T HA 0.105 4.455 4.350 0.000 0.000 0.262 150 T C 1.354 176.100 174.700 0.078 0.000 1.063 150 T CA 0.750 62.885 62.100 0.058 0.000 1.140 150 T CB 0.085 68.972 68.868 0.032 0.000 0.886 150 T HN 0.832 nan 8.240 nan 0.000 0.470 151 G N 1.005 109.854 108.800 0.082 0.000 2.195 151 G HA2 -0.145 3.815 3.960 0.000 0.000 0.224 151 G HA3 -0.145 3.815 3.960 0.000 0.000 0.224 151 G C -0.096 174.836 174.900 0.053 0.000 0.990 151 G CA -0.080 45.066 45.100 0.078 0.000 0.639 151 G HN 0.641 nan 8.290 nan 0.000 0.514 152 L N 1.002 122.251 121.223 0.043 0.000 2.290 152 L HA 0.426 4.766 4.340 0.000 0.000 0.284 152 L C 1.667 178.559 176.870 0.037 0.000 1.078 152 L CA -0.623 54.237 54.840 0.033 0.000 0.815 152 L CB 1.079 43.153 42.059 0.024 0.000 1.162 152 L HN 0.065 nan 8.230 nan 0.000 0.435 153 K N 2.345 122.769 120.400 0.039 0.000 2.148 153 K HA -0.116 4.204 4.320 0.000 0.000 0.204 153 K C 1.904 178.528 176.600 0.040 0.000 1.050 153 K CA 1.374 57.687 56.287 0.043 0.000 0.942 153 K CB -0.059 32.469 32.500 0.048 0.000 0.724 153 K HN 0.795 nan 8.250 nan 0.000 0.446 154 A N 0.905 123.747 122.820 0.037 0.000 1.898 154 A HA -0.046 4.274 4.320 0.000 0.000 0.214 154 A C 2.364 179.970 177.584 0.038 0.000 1.183 154 A CA 0.926 52.986 52.037 0.038 0.000 0.622 154 A CB -0.419 18.604 19.000 0.038 0.000 0.824 154 A HN 0.044 nan 8.150 nan 0.000 0.444 155 V N 0.478 120.412 119.914 0.033 0.000 2.323 155 V HA -0.190 3.930 4.120 0.000 0.000 0.244 155 V C 2.110 178.219 176.094 0.025 0.000 1.041 155 V CA 2.273 64.590 62.300 0.028 0.000 1.025 155 V CB -0.773 31.063 31.823 0.022 0.000 0.656 155 V HN 0.436 nan 8.190 nan 0.000 0.451 156 D N 0.372 120.788 120.400 0.027 0.000 2.149 156 D HA -0.026 4.614 4.640 0.000 0.000 0.201 156 D C 2.005 178.320 176.300 0.025 0.000 0.972 156 D CA 1.495 55.509 54.000 0.024 0.000 0.835 156 D CB -0.133 40.686 40.800 0.031 0.000 0.966 156 D HN 0.432 nan 8.370 nan 0.000 0.476 157 A N -0.843 121.996 122.820 0.033 0.000 2.195 157 A HA 0.207 4.527 4.320 0.000 0.000 0.210 157 A C 1.851 179.456 177.584 0.036 0.000 1.165 157 A CA 0.322 52.380 52.037 0.035 0.000 0.806 157 A CB 0.101 19.125 19.000 0.041 0.000 0.847 157 A HN 0.198 nan 8.150 nan 0.000 0.482 158 L N -1.417 119.828 121.223 0.037 0.000 2.663 158 L HA 0.151 4.491 4.340 0.000 0.000 0.218 158 L C 0.578 177.470 176.870 0.037 0.000 1.043 158 L CA 0.455 55.320 54.840 0.041 0.000 0.876 158 L CB 0.951 43.040 42.059 0.049 0.000 1.263 158 L HN 0.185 nan 8.230 nan 0.000 0.486 159 V N -2.227 117.707 119.914 0.032 0.000 2.572 159 V HA 0.429 4.549 4.120 0.000 0.000 0.274 159 V C -2.585 173.517 176.094 0.015 0.000 1.075 159 V CA -1.790 60.526 62.300 0.027 0.000 1.237 159 V CB -0.408 31.434 31.823 0.033 0.000 1.517 159 V HN -0.073 nan 8.190 nan 0.000 0.616 160 P HA 0.262 nan 4.420 nan 0.000 0.267 160 P C -0.283 177.011 177.300 -0.010 0.000 1.201 160 P CA 0.551 63.650 63.100 -0.002 0.000 0.775 160 P CB 1.198 32.895 31.700 -0.004 0.000 0.854 161 I N 0.442 120.998 120.570 -0.022 0.000 2.569 161 I HA 0.523 4.693 4.170 0.000 0.000 0.296 161 I C 0.957 177.045 176.117 -0.048 0.000 1.028 161 I CA -0.730 60.553 61.300 -0.028 0.000 1.082 161 I CB 2.293 40.277 38.000 -0.026 0.000 1.264 161 I HN 0.314 nan 8.210 nan 0.000 0.429 162 G N 3.257 112.031 108.800 -0.044 0.000 2.521 162 G HA2 0.617 4.577 3.960 0.000 0.000 0.323 162 G HA3 0.617 4.577 3.960 0.000 0.000 0.323 162 G C -0.668 174.189 174.900 -0.072 0.000 1.211 162 G CA -0.757 44.305 45.100 -0.063 0.000 0.979 162 G HN 0.468 nan 8.290 nan 0.000 0.490 163 R N -0.777 119.659 120.500 -0.106 0.000 2.442 163 R HA 0.454 4.794 4.340 0.000 0.000 0.291 163 R C 1.273 177.551 176.300 -0.037 0.000 1.069 163 R CA 1.599 57.637 56.100 -0.104 0.000 1.022 163 R CB 0.909 31.072 30.300 -0.228 0.000 0.976 163 R HN 1.145 nan 8.270 nan 0.000 0.443 164 G N 1.558 110.358 108.800 0.000 0.000 2.258 164 G HA2 -0.335 3.625 3.960 0.000 0.000 0.233 164 G HA3 -0.335 3.625 3.960 0.000 0.000 0.233 164 G C 0.200 175.113 174.900 0.022 0.000 1.006 164 G CA 0.219 45.336 45.100 0.027 0.000 0.620 164 G HN 0.594 nan 8.290 nan 0.000 0.511 165 Q N 0.567 120.372 119.800 0.008 0.000 2.417 165 Q HA 0.612 4.952 4.340 0.000 0.000 0.241 165 Q C 0.217 176.222 176.000 0.008 0.000 1.008 165 Q CA -0.291 55.515 55.803 0.006 0.000 0.901 165 Q CB 0.398 29.134 28.738 -0.004 0.000 1.259 165 Q HN 0.477 nan 8.270 nan 0.000 0.489 166 R N 1.676 122.178 120.500 0.003 0.000 2.460 166 R HA 0.377 4.717 4.340 0.000 0.000 0.303 166 R C -1.302 174.988 176.300 -0.016 0.000 0.968 166 R CA -0.515 55.584 56.100 -0.003 0.000 0.889 166 R CB 1.648 31.940 30.300 -0.014 0.000 1.123 166 R HN 0.508 nan 8.270 nan 0.000 0.455 167 E N 2.156 122.344 120.200 -0.020 0.000 2.260 167 E HA 0.232 4.582 4.350 0.000 0.000 0.266 167 E C -1.711 174.856 176.600 -0.055 0.000 0.887 167 E CA -0.787 55.592 56.400 -0.036 0.000 0.777 167 E CB 1.230 30.914 29.700 -0.027 0.000 1.205 167 E HN 0.276 nan 8.360 nan 0.000 0.414 168 L N 5.341 126.510 121.223 -0.089 0.000 2.367 168 L HA 0.441 4.781 4.340 0.000 0.000 0.275 168 L C -0.890 175.894 176.870 -0.143 0.000 1.129 168 L CA 0.247 55.010 54.840 -0.128 0.000 0.839 168 L CB 0.417 42.370 42.059 -0.177 0.000 1.133 168 L HN 0.573 nan 8.230 nan 0.000 0.453 169 I N 6.636 127.134 120.570 -0.121 0.000 2.312 169 I HA 0.419 4.589 4.170 0.000 0.000 0.290 169 I C -0.323 175.707 176.117 -0.146 0.000 1.008 169 I CA -0.216 61.015 61.300 -0.114 0.000 1.226 169 I CB 1.150 39.113 38.000 -0.061 0.000 1.371 169 I HN 0.524 nan 8.210 nan 0.000 0.468 170 I N 5.310 125.754 120.570 -0.211 0.000 2.533 170 I HA 0.905 5.075 4.170 0.000 0.000 0.290 170 I C -0.254 175.813 176.117 -0.084 0.000 1.056 170 I CA 0.149 61.321 61.300 -0.213 0.000 1.057 170 I CB 1.716 39.462 38.000 -0.423 0.000 1.240 170 I HN 0.733 nan 8.210 nan 0.000 0.423 171 G N 5.202 113.999 108.800 -0.004 0.000 2.466 171 G HA2 0.221 4.181 3.960 0.000 0.000 0.291 171 G HA3 0.221 4.181 3.960 0.000 0.000 0.291 171 G C -1.918 173.004 174.900 0.036 0.000 1.460 171 G CA -0.773 44.358 45.100 0.052 0.000 0.791 171 G HN 0.494 nan 8.290 nan 0.000 0.505 172 D N 0.152 120.575 120.400 0.039 0.000 2.371 172 D HA 0.268 4.908 4.640 0.000 0.000 0.242 172 D C 1.137 177.435 176.300 -0.004 0.000 1.218 172 D CA -0.087 53.929 54.000 0.026 0.000 0.945 172 D CB 0.735 41.555 40.800 0.033 0.000 1.137 172 D HN 0.697 nan 8.370 nan 0.000 0.464 173 R N 0.562 121.064 120.500 0.002 0.000 2.566 173 R HA -0.111 4.229 4.340 0.000 0.000 0.273 173 R C -0.008 176.261 176.300 -0.052 0.000 0.981 173 R CA 0.239 56.331 56.100 -0.013 0.000 1.091 173 R CB 0.096 30.398 30.300 0.005 0.000 0.924 173 R HN 0.315 nan 8.270 nan 0.000 0.411 174 Q N -0.290 119.463 119.800 -0.079 0.000 2.424 174 Q HA -0.193 4.147 4.340 0.000 0.000 0.234 174 Q C 0.799 176.607 176.000 -0.320 0.000 0.748 174 Q CA 1.907 57.617 55.803 -0.154 0.000 1.286 174 Q CB -2.129 26.538 28.738 -0.119 0.000 1.494 174 Q HN 1.016 nan 8.270 nan 0.000 0.683 175 T N -3.538 110.870 114.554 -0.243 0.000 3.088 175 T HA 0.362 4.712 4.350 0.000 0.000 0.259 175 T C 1.229 175.789 174.700 -0.233 0.000 1.122 175 T CA 1.251 63.167 62.100 -0.307 0.000 1.095 175 T CB 0.637 69.432 68.868 -0.121 0.000 0.930 175 T HN 0.985 nan 8.240 nan 0.000 0.508 176 G N 1.174 109.884 108.800 -0.150 0.000 2.245 176 G HA2 -0.154 3.806 3.960 0.000 0.000 0.130 176 G HA3 -0.154 3.806 3.960 0.000 0.000 0.130 176 G C 0.463 175.349 174.900 -0.023 0.000 1.040 176 G CA 0.081 45.150 45.100 -0.052 0.000 0.713 176 G HN 0.487 nan 8.290 nan 0.000 0.488 177 K N -0.380 120.003 120.400 -0.028 0.000 2.005 177 K HA 0.010 4.330 4.320 0.000 0.000 0.206 177 K C 2.615 179.217 176.600 0.003 0.000 1.044 177 K CA 1.687 57.965 56.287 -0.014 0.000 0.942 177 K CB -0.341 32.148 32.500 -0.018 0.000 0.727 177 K HN 0.254 nan 8.250 nan 0.000 0.439 178 T N 1.598 116.165 114.554 0.022 0.000 2.721 178 T HA -0.228 4.122 4.350 0.000 0.000 0.268 178 T C 1.985 176.700 174.700 0.024 0.000 1.038 178 T CA 1.633 63.772 62.100 0.066 0.000 1.145 178 T CB -0.371 68.551 68.868 0.090 0.000 0.858 178 T HN 0.342 nan 8.240 nan 0.000 0.459 179 A N 0.582 123.388 122.820 -0.023 0.000 2.168 179 A HA 0.135 4.455 4.320 0.000 0.000 0.215 179 A C 2.436 179.981 177.584 -0.065 0.000 1.152 179 A CA 0.599 52.586 52.037 -0.083 0.000 0.716 179 A CB -0.543 18.396 19.000 -0.102 0.000 0.794 179 A HN 0.410 nan 8.150 nan 0.000 0.465 180 V N -0.966 118.934 119.914 -0.023 0.000 2.535 180 V HA -0.071 4.049 4.120 0.000 0.000 0.246 180 V C 2.766 178.859 176.094 -0.002 0.000 1.045 180 V CA 1.718 64.010 62.300 -0.012 0.000 1.058 180 V CB -0.600 31.221 31.823 -0.004 0.000 0.689 180 V HN 0.558 nan 8.190 nan 0.000 0.461 181 A N -0.453 122.375 122.820 0.014 0.000 1.956 181 A HA 0.080 4.400 4.320 0.000 0.000 0.212 181 A C 1.969 179.582 177.584 0.049 0.000 1.188 181 A CA 0.753 52.813 52.037 0.039 0.000 0.675 181 A CB -0.324 18.710 19.000 0.057 0.000 0.845 181 A HN 0.396 nan 8.150 nan 0.000 0.455 182 L N 0.039 121.279 121.223 0.030 0.000 2.191 182 L HA -0.128 4.212 4.340 0.000 0.000 0.212 182 L C 1.383 178.233 176.870 -0.034 0.000 1.103 182 L CA 2.116 56.949 54.840 -0.011 0.000 0.769 182 L CB -0.378 41.649 42.059 -0.053 0.000 0.908 182 L HN 0.287 nan 8.230 nan 0.000 0.438 183 D N -1.368 119.002 120.400 -0.050 0.000 2.123 183 D HA -0.116 4.524 4.640 0.000 0.000 0.200 183 D C 2.099 178.416 176.300 0.029 0.000 0.976 183 D CA 1.640 55.620 54.000 -0.032 0.000 0.831 183 D CB -0.172 40.596 40.800 -0.054 0.000 0.974 183 D HN 0.298 nan 8.370 nan 0.000 0.469 184 T N 0.937 115.512 114.554 0.035 0.000 2.665 184 T HA -0.145 4.205 4.350 0.000 0.000 0.268 184 T C 2.172 176.927 174.700 0.092 0.000 1.035 184 T CA 0.858 62.994 62.100 0.060 0.000 1.151 184 T CB -0.319 68.574 68.868 0.042 0.000 0.862 184 T HN 0.162 nan 8.240 nan 0.000 0.438 185 I N 0.581 121.206 120.570 0.093 0.000 2.226 185 I HA -0.108 4.062 4.170 0.000 0.000 0.245 185 I C 2.274 178.511 176.117 0.199 0.000 1.100 185 I CA 1.165 62.548 61.300 0.139 0.000 1.374 185 I CB -0.379 37.682 38.000 0.102 0.000 1.057 185 I HN 0.196 nan 8.210 nan 0.000 0.413 186 L N 0.360 121.659 121.223 0.128 0.000 2.275 186 L HA -0.183 4.157 4.340 0.000 0.000 0.215 186 L C 2.031 179.006 176.870 0.175 0.000 1.119 186 L CA 1.104 56.032 54.840 0.147 0.000 0.790 186 L CB -0.588 41.509 42.059 0.063 0.000 0.919 186 L HN 0.322 nan 8.230 nan 0.000 0.443 187 N N -0.558 118.230 118.700 0.147 0.000 2.457 187 N HA -0.138 4.602 4.740 0.000 0.000 0.180 187 N C 1.624 177.235 175.510 0.167 0.000 1.050 187 N CA 0.407 53.537 53.050 0.133 0.000 0.906 187 N CB 0.207 38.783 38.487 0.148 0.000 0.968 187 N HN 0.115 nan 8.380 nan 0.000 0.445 188 Q N 0.239 120.152 119.800 0.188 0.000 2.541 188 Q HA -0.073 4.267 4.340 0.000 0.000 0.215 188 Q C 1.336 177.236 176.000 -0.166 0.000 0.977 188 Q CA 0.459 56.334 55.803 0.119 0.000 0.934 188 Q CB -0.110 28.627 28.738 -0.002 0.000 0.988 188 Q HN 0.472 nan 8.270 nan 0.000 0.521 189 K N 0.788 121.139 120.400 -0.083 0.000 2.148 189 K HA -0.076 4.244 4.320 0.000 0.000 0.204 189 K C 1.718 178.147 176.600 -0.285 0.000 1.050 189 K CA 0.656 56.868 56.287 -0.125 0.000 0.942 189 K CB 0.224 32.756 32.500 0.053 0.000 0.724 189 K HN 0.122 nan 8.250 nan 0.000 0.446 190 R N -0.675 119.514 120.500 -0.519 0.000 2.152 190 R HA -0.137 4.203 4.340 0.000 0.000 0.232 190 R C 1.523 177.234 176.300 -0.981 0.000 1.117 190 R CA 1.318 56.839 56.100 -0.965 0.000 0.981 190 R CB -0.053 29.190 30.300 -1.761 0.000 0.870 190 R HN 0.441 nan 8.270 nan 0.000 0.451 191 W N -0.449 120.746 121.300 -0.175 0.000 3.063 191 W HA 0.200 4.860 4.660 0.000 0.000 0.246 191 W C 0.950 177.318 176.519 -0.253 0.000 1.145 191 W CA -0.639 56.597 57.345 -0.183 0.000 1.510 191 W CB -0.466 28.891 29.460 -0.171 0.000 0.904 191 W HN 0.019 nan 8.180 nan 0.000 0.679 192 N N 1.576 120.161 118.700 -0.191 0.000 2.635 192 N HA -0.116 4.624 4.740 0.000 0.000 0.191 192 N C 0.990 176.364 175.510 -0.226 0.000 1.155 192 N CA 0.858 53.655 53.050 -0.422 0.000 0.927 192 N CB -0.402 37.434 38.487 -1.085 0.000 0.976 192 N HN 0.115 nan 8.380 nan 0.000 0.448 193 N N -0.814 117.806 118.700 -0.133 0.000 2.432 193 N HA 0.078 4.818 4.740 0.000 0.000 0.174 193 N C 1.034 176.536 175.510 -0.015 0.000 1.037 193 N CA 0.374 53.397 53.050 -0.046 0.000 0.892 193 N CB 0.002 38.457 38.487 -0.054 0.000 1.049 193 N HN 0.159 nan 8.380 nan 0.000 0.442 194 G N -0.550 108.238 108.800 -0.019 0.000 2.525 194 G HA2 0.259 4.219 3.960 0.000 0.000 0.287 194 G HA3 0.259 4.219 3.960 0.000 0.000 0.287 194 G C 0.166 175.085 174.900 0.032 0.000 1.350 194 G CA -0.307 44.797 45.100 0.007 0.000 1.039 194 G HN 0.092 nan 8.290 nan 0.000 0.513 195 S N -0.225 115.497 115.700 0.036 0.000 2.622 195 S HA 0.148 4.618 4.470 0.000 0.000 0.236 195 S C -0.010 174.622 174.600 0.053 0.000 0.956 195 S CA -0.172 58.056 58.200 0.047 0.000 0.971 195 S CB 0.024 63.246 63.200 0.037 0.000 0.782 195 S HN 0.550 nan 8.310 nan 0.000 0.468 196 D N 2.020 122.454 120.400 0.057 0.000 2.472 196 D HA 0.128 4.768 4.640 0.000 0.000 0.234 196 D C 0.276 176.618 176.300 0.070 0.000 1.088 196 D CA -0.209 53.827 54.000 0.060 0.000 0.882 196 D CB 0.689 41.525 40.800 0.059 0.000 1.037 196 D HN -0.025 nan 8.370 nan 0.000 0.520 197 E N 0.940 121.189 120.200 0.082 0.000 2.533 197 E HA -0.068 4.282 4.350 0.000 0.000 0.201 197 E C 1.048 177.696 176.600 0.080 0.000 1.097 197 E CA 0.289 56.757 56.400 0.113 0.000 0.887 197 E CB 0.093 29.858 29.700 0.107 0.000 0.855 197 E HN 0.377 nan 8.360 nan 0.000 0.540 198 S N -1.369 114.380 115.700 0.081 0.000 2.741 198 S HA 0.343 4.813 4.470 0.000 0.000 0.247 198 S C 0.963 175.651 174.600 0.146 0.000 1.050 198 S CA -0.580 57.704 58.200 0.139 0.000 1.025 198 S CB 0.601 63.878 63.200 0.128 0.000 0.897 198 S HN 0.005 nan 8.310 nan 0.000 0.508 199 K N 0.980 121.423 120.400 0.071 0.000 2.585 199 K HA 0.302 4.622 4.320 0.000 0.000 0.210 199 K C -0.333 176.198 176.600 -0.116 0.000 1.504 199 K CA -0.092 56.160 56.287 -0.058 0.000 1.029 199 K CB 0.461 32.935 32.500 -0.044 0.000 1.332 199 K HN 0.205 nan 8.250 nan 0.000 0.569 200 K N 1.307 121.655 120.400 -0.087 0.000 2.436 200 K HA 0.039 4.359 4.320 0.000 0.000 0.275 200 K C -0.583 175.808 176.600 -0.347 0.000 0.999 200 K CA 0.085 56.199 56.287 -0.288 0.000 0.980 200 K CB 0.716 32.890 32.500 -0.542 0.000 0.919 200 K HN -0.055 nan 8.250 nan 0.000 0.484 201 L N 4.810 125.810 121.223 -0.372 0.000 2.408 201 L HA 0.252 4.592 4.340 0.000 0.000 0.257 201 L C -1.281 175.451 176.870 -0.231 0.000 1.053 201 L CA -0.433 54.272 54.840 -0.225 0.000 0.922 201 L CB 0.084 42.062 42.059 -0.134 0.000 1.261 201 L HN 0.435 nan 8.230 nan 0.000 0.458 202 Y N 1.673 121.893 120.300 -0.133 0.000 2.550 202 Y HA 0.282 4.832 4.550 0.000 0.000 0.343 202 Y C 0.654 176.458 175.900 -0.160 0.000 1.245 202 Y CA -0.253 57.744 58.100 -0.172 0.000 1.462 202 Y CB 0.304 38.461 38.460 -0.506 0.000 1.340 202 Y HN 0.376 nan 8.280 nan 0.000 0.604 203 C N 2.290 121.651 119.300 0.101 0.000 2.396 203 C HA 0.602 5.062 4.460 0.000 0.000 0.321 203 C C -0.486 174.533 174.990 0.049 0.000 1.233 203 C CA -1.221 57.838 59.018 0.068 0.000 1.440 203 C CB 0.542 28.357 27.740 0.125 0.000 2.110 203 C HN 0.585 nan 8.230 nan 0.000 0.473 204 V N 3.503 123.428 119.914 0.018 0.000 2.357 204 V HA 0.307 4.427 4.120 0.000 0.000 0.284 204 V C -0.654 175.427 176.094 -0.022 0.000 1.018 204 V CA -0.478 61.831 62.300 0.015 0.000 0.841 204 V CB 0.779 32.605 31.823 0.006 0.000 0.991 204 V HN 0.825 nan 8.190 nan 0.000 0.437 205 Y N 4.771 125.013 120.300 -0.096 0.000 2.361 205 Y HA 0.657 5.207 4.550 0.000 0.000 0.332 205 Y C -0.226 175.604 175.900 -0.116 0.000 1.101 205 Y CA -0.555 57.476 58.100 -0.114 0.000 1.137 205 Y CB 1.819 40.236 38.460 -0.070 0.000 1.207 205 Y HN 0.384 nan 8.280 nan 0.000 0.463 206 V N 6.109 125.684 119.914 -0.564 0.000 2.327 206 V HA 0.481 4.601 4.120 0.000 0.000 0.272 206 V C -0.251 175.668 176.094 -0.292 0.000 1.019 206 V CA -0.881 61.222 62.300 -0.329 0.000 0.814 206 V CB 0.701 32.315 31.823 -0.349 0.000 1.040 206 V HN 0.944 nan 8.190 nan 0.000 0.440 207 A N 4.939 127.727 122.820 -0.053 0.000 2.376 207 A HA 0.642 4.962 4.320 0.000 0.000 0.298 207 A C -0.151 177.446 177.584 0.023 0.000 1.271 207 A CA -0.147 51.913 52.037 0.039 0.000 0.926 207 A CB 0.130 19.226 19.000 0.161 0.000 1.141 207 A HN 0.696 nan 8.150 nan 0.000 0.539 208 V N 2.538 122.456 119.914 0.007 0.000 2.384 208 V HA 0.619 4.739 4.120 0.000 0.000 0.287 208 V C 1.289 177.410 176.094 0.045 0.000 1.020 208 V CA 0.342 62.660 62.300 0.031 0.000 0.850 208 V CB 0.649 32.486 31.823 0.023 0.000 0.987 208 V HN 1.699 nan 8.190 nan 0.000 0.436 209 G N 3.665 112.499 108.800 0.057 0.000 2.166 209 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 209 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 209 G C 0.222 175.153 174.900 0.052 0.000 0.986 209 G CA 0.438 45.572 45.100 0.056 0.000 0.683 209 G HN 0.695 nan 8.290 nan 0.000 0.527 210 Q N -0.048 119.787 119.800 0.058 0.000 2.293 210 Q HA 0.332 4.672 4.340 0.000 0.000 0.251 210 Q C 0.636 176.668 176.000 0.054 0.000 0.930 210 Q CA -0.318 55.522 55.803 0.062 0.000 0.893 210 Q CB 0.970 29.761 28.738 0.087 0.000 1.215 210 Q HN 0.390 nan 8.270 nan 0.000 0.425 211 K N 2.843 123.271 120.400 0.046 0.000 2.416 211 K HA 0.001 4.321 4.320 0.000 0.000 0.283 211 K C 0.593 177.215 176.600 0.036 0.000 1.037 211 K CA 0.055 56.364 56.287 0.037 0.000 0.995 211 K CB 0.534 33.054 32.500 0.032 0.000 0.938 211 K HN 0.587 nan 8.250 nan 0.000 0.475 212 R N 1.521 122.040 120.500 0.031 0.000 2.154 212 R HA -0.175 4.165 4.340 0.000 0.000 0.248 212 R C 2.059 178.371 176.300 0.020 0.000 1.155 212 R CA 2.102 58.218 56.100 0.027 0.000 0.979 212 R CB -0.212 30.102 30.300 0.023 0.000 0.869 212 R HN 0.818 nan 8.270 nan 0.000 0.452 213 S N -0.359 115.352 115.700 0.018 0.000 2.383 213 S HA -0.110 4.360 4.470 0.000 0.000 0.227 213 S C 1.940 176.547 174.600 0.012 0.000 1.026 213 S CA 1.622 59.830 58.200 0.013 0.000 0.981 213 S CB -0.453 62.755 63.200 0.014 0.000 0.818 213 S HN 0.195 nan 8.310 nan 0.000 0.472 214 T N 2.611 117.177 114.554 0.020 0.000 2.788 214 T HA -0.036 4.314 4.350 0.000 0.000 0.268 214 T C 1.945 176.650 174.700 0.010 0.000 1.044 214 T CA 1.446 63.559 62.100 0.021 0.000 1.139 214 T CB -0.608 68.282 68.868 0.037 0.000 0.867 214 T HN 0.340 nan 8.240 nan 0.000 0.454 215 V N 1.919 121.844 119.914 0.019 0.000 2.261 215 V HA -0.151 3.969 4.120 0.000 0.000 0.246 215 V C 2.938 179.017 176.094 -0.024 0.000 1.047 215 V CA 1.650 63.955 62.300 0.009 0.000 1.015 215 V CB -1.469 30.376 31.823 0.036 0.000 0.642 215 V HN 0.510 nan 8.190 nan 0.000 0.446 216 A N 0.191 123.004 122.820 -0.012 0.000 1.865 216 A HA -0.344 3.976 4.320 0.000 0.000 0.217 216 A C 2.250 179.815 177.584 -0.032 0.000 1.191 216 A CA 2.492 54.516 52.037 -0.020 0.000 0.623 216 A CB -0.777 18.217 19.000 -0.010 0.000 0.826 216 A HN 0.559 nan 8.150 nan 0.000 0.444 217 Q N 0.054 119.840 119.800 -0.023 0.000 2.133 217 Q HA -0.201 4.139 4.340 0.000 0.000 0.208 217 Q C 1.886 177.859 176.000 -0.044 0.000 0.991 217 Q CA 2.320 58.108 55.803 -0.024 0.000 0.867 217 Q CB -0.690 28.044 28.738 -0.007 0.000 0.911 217 Q HN 0.721 nan 8.270 nan 0.000 0.417 218 L N -0.652 120.530 121.223 -0.069 0.000 2.072 218 L HA -0.027 4.313 4.340 0.000 0.000 0.205 218 L C 2.146 178.927 176.870 -0.147 0.000 1.079 218 L CA 1.585 56.351 54.840 -0.123 0.000 0.752 218 L CB -0.440 41.493 42.059 -0.210 0.000 0.906 218 L HN 0.234 nan 8.230 nan 0.000 0.436 219 V N -2.582 117.254 119.914 -0.130 0.000 2.871 219 V HA -0.157 3.963 4.120 0.000 0.000 0.256 219 V C 2.288 178.333 176.094 -0.081 0.000 1.082 219 V CA 1.565 63.795 62.300 -0.115 0.000 1.105 219 V CB -0.844 30.923 31.823 -0.092 0.000 0.713 219 V HN 0.681 nan 8.190 nan 0.000 0.473 220 Q N 0.532 120.294 119.800 -0.064 0.000 2.124 220 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 220 Q C 2.259 178.231 176.000 -0.046 0.000 0.977 220 Q CA 2.357 58.132 55.803 -0.048 0.000 0.850 220 Q CB -0.157 28.558 28.738 -0.038 0.000 0.901 220 Q HN 0.786 nan 8.270 nan 0.000 0.429 221 T N 1.115 115.633 114.554 -0.060 0.000 2.770 221 T HA -0.080 4.270 4.350 0.000 0.000 0.263 221 T C 1.864 176.537 174.700 -0.046 0.000 1.039 221 T CA 0.757 62.819 62.100 -0.064 0.000 1.142 221 T CB -0.187 68.633 68.868 -0.080 0.000 0.868 221 T HN 0.210 nan 8.240 nan 0.000 0.435 222 L N 0.677 121.852 121.223 -0.080 0.000 2.079 222 L HA -0.150 4.190 4.340 0.000 0.000 0.210 222 L C 2.767 179.609 176.870 -0.046 0.000 1.081 222 L CA 1.487 56.276 54.840 -0.084 0.000 0.752 222 L CB -0.495 41.482 42.059 -0.137 0.000 0.896 222 L HN 0.340 nan 8.230 nan 0.000 0.433 223 E N -0.287 119.885 120.200 -0.046 0.000 2.028 223 E HA -0.256 4.094 4.350 0.000 0.000 0.191 223 E C 2.102 178.698 176.600 -0.006 0.000 0.988 223 E CA 1.133 57.511 56.400 -0.036 0.000 0.799 223 E CB -0.076 29.600 29.700 -0.040 0.000 0.755 223 E HN 0.528 nan 8.360 nan 0.000 0.447 224 Q N -0.472 119.334 119.800 0.010 0.000 2.561 224 Q HA -0.114 4.226 4.340 0.000 0.000 0.217 224 Q C 1.284 177.284 176.000 0.001 0.000 0.980 224 Q CA 0.696 56.501 55.803 0.003 0.000 0.927 224 Q CB 0.071 28.808 28.738 -0.002 0.000 0.980 224 Q HN 0.408 nan 8.270 nan 0.000 0.525 225 H N -0.867 118.167 119.070 -0.060 0.000 2.874 225 H HA 0.015 4.571 4.556 0.000 0.000 0.264 225 H C -0.262 175.054 175.328 -0.021 0.000 1.007 225 H CA 0.059 56.086 56.048 -0.034 0.000 1.207 225 H CB 0.969 30.723 29.762 -0.013 0.000 1.487 225 H HN 0.139 nan 8.280 nan 0.000 0.505 226 D N 0.679 121.109 120.400 0.051 0.000 3.026 226 D HA -0.140 4.500 4.640 0.000 0.000 0.248 226 D C 0.220 176.499 176.300 -0.034 0.000 1.100 226 D CA 0.694 54.698 54.000 0.007 0.000 0.855 226 D CB -1.136 39.679 40.800 0.027 0.000 1.011 226 D HN 0.518 nan 8.370 nan 0.000 0.423 227 A N 1.588 124.289 122.820 -0.198 0.000 2.653 227 A HA 0.199 4.519 4.320 0.000 0.000 0.248 227 A C 1.684 178.820 177.584 -0.748 0.000 1.211 227 A CA 0.725 52.384 52.037 -0.630 0.000 0.991 227 A CB 0.092 18.913 19.000 -0.299 0.000 1.252 227 A HN 0.279 nan 8.150 nan 0.000 0.593 228 M N 1.101 120.481 119.600 -0.367 0.000 2.086 228 M HA -0.021 4.459 4.480 0.000 0.000 0.261 228 M C 2.276 178.444 176.300 -0.220 0.000 1.067 228 M CA 2.523 57.677 55.300 -0.242 0.000 1.116 228 M CB -0.724 31.800 32.600 -0.128 0.000 1.348 228 M HN 0.419 nan 8.290 nan 0.000 0.407 229 K N -0.046 120.245 120.400 -0.181 0.000 2.189 229 K HA -0.195 4.125 4.320 0.000 0.000 0.207 229 K C 1.292 177.958 176.600 0.109 0.000 1.046 229 K CA 2.306 58.586 56.287 -0.012 0.000 0.928 229 K CB -1.929 30.618 32.500 0.078 0.000 0.720 229 K HN 0.886 nan 8.250 nan 0.000 0.458 230 Y N -1.851 118.506 120.300 0.094 0.000 2.713 230 Y HA 0.672 5.222 4.550 0.000 0.000 0.269 230 Y C 0.001 175.956 175.900 0.092 0.000 1.106 230 Y CA -1.114 57.070 58.100 0.141 0.000 1.174 230 Y CB -0.168 38.355 38.460 0.104 0.000 1.186 230 Y HN -0.023 nan 8.280 nan 0.000 0.555 231 S N 1.469 117.159 115.700 -0.016 0.000 2.542 231 S HA 0.781 5.251 4.470 0.000 0.000 0.293 231 S C -0.839 173.776 174.600 0.024 0.000 1.089 231 S CA -0.709 57.483 58.200 -0.014 0.000 0.961 231 S CB 1.760 64.889 63.200 -0.118 0.000 1.062 231 S HN 0.330 nan 8.310 nan 0.000 0.483 232 I N 2.820 123.419 120.570 0.049 0.000 2.512 232 I HA 0.436 4.606 4.170 0.000 0.000 0.287 232 I C -1.155 175.000 176.117 0.062 0.000 1.069 232 I CA -0.704 60.629 61.300 0.056 0.000 1.056 232 I CB 1.555 39.609 38.000 0.090 0.000 1.229 232 I HN 0.378 nan 8.210 nan 0.000 0.429 233 I N 6.502 127.103 120.570 0.051 0.000 2.339 233 I HA 0.452 4.622 4.170 0.000 0.000 0.290 233 I C -0.118 176.038 176.117 0.064 0.000 0.994 233 I CA -0.867 60.484 61.300 0.085 0.000 1.191 233 I CB 1.435 39.467 38.000 0.054 0.000 1.343 233 I HN 0.184 nan 8.210 nan 0.000 0.458 234 V N 5.125 125.079 119.914 0.066 0.000 2.398 234 V HA 0.761 4.881 4.120 0.000 0.000 0.286 234 V C 0.384 176.507 176.094 0.048 0.000 1.026 234 V CA -0.592 61.730 62.300 0.037 0.000 0.868 234 V CB 1.531 33.361 31.823 0.013 0.000 0.982 234 V HN 0.895 nan 8.190 nan 0.000 0.443 235 A N 3.984 126.831 122.820 0.044 0.000 2.466 235 A HA 0.827 5.147 4.320 0.000 0.000 0.291 235 A C -0.032 177.581 177.584 0.050 0.000 1.234 235 A CA -0.273 51.797 52.037 0.054 0.000 0.752 235 A CB 1.003 20.037 19.000 0.056 0.000 1.153 235 A HN 1.261 nan 8.150 nan 0.000 0.458 236 A N 3.012 125.866 122.820 0.056 0.000 2.394 236 A HA 0.635 4.955 4.320 0.000 0.000 0.333 236 A C 0.685 178.309 177.584 0.066 0.000 1.397 236 A CA 0.174 52.252 52.037 0.068 0.000 0.884 236 A CB -0.400 18.651 19.000 0.086 0.000 1.147 236 A HN 1.289 nan 8.150 nan 0.000 0.505 237 T N -0.886 113.704 114.554 0.061 0.000 2.770 237 T HA 0.527 4.877 4.350 0.000 0.000 0.281 237 T C 1.519 176.252 174.700 0.056 0.000 0.981 237 T CA 0.096 62.230 62.100 0.056 0.000 0.955 237 T CB 0.969 69.865 68.868 0.047 0.000 1.060 237 T HN 0.968 nan 8.240 nan 0.000 0.531 238 A N 1.004 123.853 122.820 0.048 0.000 1.877 238 A HA -0.043 4.277 4.320 0.000 0.000 0.216 238 A C 2.599 180.209 177.584 0.042 0.000 1.186 238 A CA 2.184 54.248 52.037 0.045 0.000 0.620 238 A CB -1.545 17.478 19.000 0.038 0.000 0.822 238 A HN 1.210 nan 8.150 nan 0.000 0.443 239 S N -0.246 115.477 115.700 0.038 0.000 2.507 239 S HA -0.003 4.467 4.470 0.000 0.000 0.235 239 S C 0.655 175.279 174.600 0.040 0.000 0.988 239 S CA 0.359 58.580 58.200 0.033 0.000 0.944 239 S CB -0.282 62.935 63.200 0.028 0.000 0.762 239 S HN 0.642 nan 8.310 nan 0.000 0.526 240 E N 1.045 121.277 120.200 0.052 0.000 2.351 240 E HA 0.550 4.900 4.350 0.000 0.000 0.255 240 E C 0.048 176.694 176.600 0.077 0.000 1.188 240 E CA -0.350 56.090 56.400 0.067 0.000 0.940 240 E CB 0.718 30.465 29.700 0.078 0.000 1.094 240 E HN 0.407 nan 8.360 nan 0.000 0.474 241 A N 0.792 123.672 122.820 0.100 0.000 2.520 241 A HA 0.222 4.542 4.320 0.000 0.000 0.245 241 A C 1.084 178.740 177.584 0.119 0.000 1.072 241 A CA 0.691 52.789 52.037 0.102 0.000 0.761 241 A CB 0.371 19.453 19.000 0.136 0.000 1.004 241 A HN 0.730 nan 8.150 nan 0.000 0.499 242 A N 4.042 126.910 122.820 0.080 0.000 1.948 242 A HA -0.065 4.255 4.320 0.000 0.000 0.220 242 A C -0.301 177.374 177.584 0.150 0.000 1.177 242 A CA 2.091 54.186 52.037 0.096 0.000 0.636 242 A CB -1.421 17.607 19.000 0.047 0.000 0.815 242 A HN 0.634 nan 8.150 nan 0.000 0.449 243 P HA -0.048 nan 4.420 nan 0.000 0.221 243 P C 1.402 178.956 177.300 0.425 0.000 1.150 243 P CA 0.595 63.771 63.100 0.127 0.000 0.800 243 P CB -0.086 31.470 31.700 -0.239 0.000 0.787 244 L N -0.819 120.673 121.223 0.449 0.000 2.017 244 L HA -0.203 4.137 4.340 0.000 0.000 0.208 244 L C 2.703 179.744 176.870 0.285 0.000 1.073 244 L CA 1.600 56.686 54.840 0.410 0.000 0.745 244 L CB -1.011 41.222 42.059 0.291 0.000 0.894 244 L HN -0.005 nan 8.230 nan 0.000 0.432 245 Q N -0.830 119.114 119.800 0.240 0.000 2.061 245 Q HA -0.292 4.048 4.340 0.000 0.000 0.204 245 Q C 2.190 178.326 176.000 0.226 0.000 0.984 245 Q CA 2.283 58.200 55.803 0.191 0.000 0.846 245 Q CB -0.408 28.427 28.738 0.163 0.000 0.902 245 Q HN 0.488 nan 8.270 nan 0.000 0.421 246 Y N 0.665 121.067 120.300 0.169 0.000 2.193 246 Y HA -0.283 4.267 4.550 0.000 0.000 0.285 246 Y C 1.900 177.958 175.900 0.264 0.000 1.166 246 Y CA 1.322 59.541 58.100 0.200 0.000 1.181 246 Y CB -0.062 38.515 38.460 0.195 0.000 0.976 246 Y HN 0.099 nan 8.280 nan 0.000 0.520 247 L N 0.010 121.424 121.223 0.318 0.000 2.168 247 L HA 0.152 4.492 4.340 0.000 0.000 0.203 247 L C 2.610 179.589 176.870 0.182 0.000 1.078 247 L CA 1.634 56.642 54.840 0.281 0.000 0.780 247 L CB -1.421 40.864 42.059 0.376 0.000 0.939 247 L HN 0.261 nan 8.230 nan 0.000 0.451 248 A N 0.682 123.576 122.820 0.123 0.000 1.896 248 A HA -0.230 4.090 4.320 0.000 0.000 0.220 248 A C -0.095 177.504 177.584 0.026 0.000 1.206 248 A CA 2.556 54.632 52.037 0.065 0.000 0.647 248 A CB -2.223 16.806 19.000 0.050 0.000 0.828 248 A HN 0.405 nan 8.150 nan 0.000 0.455 249 P HA -0.097 nan 4.420 nan 0.000 0.219 249 P C 0.892 178.107 177.300 -0.140 0.000 1.146 249 P CA 1.001 64.056 63.100 -0.075 0.000 0.808 249 P CB -0.133 31.385 31.700 -0.304 0.000 0.779 250 F N -0.424 119.515 119.950 -0.019 0.000 2.219 250 F HA -0.069 4.458 4.527 0.000 0.000 0.294 250 F C 2.456 178.260 175.800 0.005 0.000 1.086 250 F CA 1.671 59.645 58.000 -0.042 0.000 1.330 250 F CB -1.843 37.077 39.000 -0.135 0.000 1.047 250 F HN -0.070 nan 8.300 nan 0.000 0.495 251 T N -1.750 112.914 114.554 0.185 0.000 2.833 251 T HA -0.124 4.226 4.350 0.000 0.000 0.269 251 T C 2.113 176.865 174.700 0.087 0.000 1.054 251 T CA 1.049 63.215 62.100 0.109 0.000 1.135 251 T CB -0.733 68.175 68.868 0.066 0.000 0.869 251 T HN 0.170 nan 8.240 nan 0.000 0.466 252 A N 1.696 124.563 122.820 0.077 0.000 1.929 252 A HA 0.471 4.791 4.320 0.000 0.000 0.216 252 A C 2.830 180.469 177.584 0.092 0.000 1.176 252 A CA 1.489 53.558 52.037 0.054 0.000 0.628 252 A CB -1.321 17.670 19.000 -0.015 0.000 0.816 252 A HN 0.719 nan 8.150 nan 0.000 0.444 253 A N -0.293 122.609 122.820 0.136 0.000 1.883 253 A HA -0.131 4.189 4.320 0.000 0.000 0.217 253 A C 2.423 180.099 177.584 0.153 0.000 1.186 253 A CA 2.202 54.341 52.037 0.170 0.000 0.624 253 A CB -0.944 18.160 19.000 0.174 0.000 0.822 253 A HN 0.440 nan 8.150 nan 0.000 0.444 254 S N -0.404 115.378 115.700 0.136 0.000 2.423 254 S HA -0.069 4.401 4.470 0.000 0.000 0.231 254 S C 1.730 176.412 174.600 0.138 0.000 1.014 254 S CA 1.280 59.555 58.200 0.124 0.000 0.965 254 S CB -0.495 62.763 63.200 0.097 0.000 0.785 254 S HN 0.544 nan 8.310 nan 0.000 0.495 255 I N 1.226 121.874 120.570 0.130 0.000 2.163 255 I HA -0.119 4.051 4.170 0.000 0.000 0.240 255 I C 2.688 178.984 176.117 0.298 0.000 1.081 255 I CA 1.306 62.689 61.300 0.139 0.000 1.353 255 I CB -0.764 37.307 38.000 0.119 0.000 1.054 255 I HN 0.357 nan 8.210 nan 0.000 0.407 256 G N -0.126 108.880 108.800 0.343 0.000 2.484 256 G HA2 -0.163 3.797 3.960 0.000 0.000 0.218 256 G HA3 -0.163 3.797 3.960 0.000 0.000 0.218 256 G C 1.505 176.655 174.900 0.416 0.000 1.130 256 G CA 0.282 45.678 45.100 0.492 0.000 0.784 256 G HN 0.393 nan 8.290 nan 0.000 0.543 257 E N -0.780 119.576 120.200 0.261 0.000 2.208 257 E HA -0.098 4.252 4.350 0.000 0.000 0.193 257 E C 1.878 178.556 176.600 0.130 0.000 0.988 257 E CA 0.273 56.778 56.400 0.175 0.000 0.828 257 E CB -0.155 29.622 29.700 0.129 0.000 0.763 257 E HN 0.649 nan 8.360 nan 0.000 0.478 258 W N 0.638 121.899 121.300 -0.064 0.000 2.335 258 W HA -0.253 4.407 4.660 0.000 0.000 0.311 258 W C 1.435 177.796 176.519 -0.263 0.000 1.213 258 W CA 1.702 58.912 57.345 -0.225 0.000 1.274 258 W CB -0.331 28.892 29.460 -0.394 0.000 1.148 258 W HN -0.001 nan 8.180 nan 0.000 0.498 259 F N 0.228 120.260 119.950 0.136 0.000 2.102 259 F HA -0.138 4.389 4.527 0.000 0.000 0.298 259 F C 2.728 178.436 175.800 -0.154 0.000 1.105 259 F CA 2.108 60.066 58.000 -0.071 0.000 1.239 259 F CB -1.445 37.599 39.000 0.074 0.000 0.991 259 F HN -0.192 nan 8.300 nan 0.000 0.474 260 R N 0.897 121.482 120.500 0.141 0.000 2.122 260 R HA -0.203 4.137 4.340 0.000 0.000 0.236 260 R C 1.609 177.884 176.300 -0.041 0.000 1.129 260 R CA 2.349 58.492 56.100 0.072 0.000 0.925 260 R CB -0.597 29.764 30.300 0.101 0.000 0.850 260 R HN 0.203 nan 8.270 nan 0.000 0.431 261 D N -0.024 120.313 120.400 -0.106 0.000 2.378 261 D HA -0.076 4.564 4.640 0.000 0.000 0.222 261 D C 0.377 176.544 176.300 -0.222 0.000 0.980 261 D CA 0.647 54.563 54.000 -0.140 0.000 0.907 261 D CB -0.118 40.602 40.800 -0.133 0.000 0.899 261 D HN 0.253 nan 8.370 nan 0.000 0.527 262 N N -0.414 118.089 118.700 -0.328 0.000 2.275 262 N HA 0.162 4.902 4.740 0.000 0.000 0.236 262 N C 1.231 176.585 175.510 -0.259 0.000 1.154 262 N CA 0.312 53.129 53.050 -0.387 0.000 0.866 262 N CB 1.305 39.343 38.487 -0.748 0.000 1.093 262 N HN 0.182 nan 8.380 nan 0.000 0.515 263 G N 0.447 109.137 108.800 -0.184 0.000 2.225 263 G HA2 -0.293 3.667 3.960 0.000 0.000 0.254 263 G HA3 -0.293 3.667 3.960 0.000 0.000 0.254 263 G C 0.187 174.904 174.900 -0.305 0.000 0.988 263 G CA 0.154 45.156 45.100 -0.163 0.000 0.625 263 G HN 0.356 nan 8.290 nan 0.000 0.527 264 K N 0.499 120.732 120.400 -0.277 0.000 2.139 264 K HA 0.668 4.988 4.320 0.000 0.000 0.243 264 K C -0.563 175.870 176.600 -0.279 0.000 0.983 264 K CA -0.865 55.263 56.287 -0.264 0.000 0.890 264 K CB 0.815 33.363 32.500 0.080 0.000 1.090 264 K HN 0.314 nan 8.250 nan 0.000 0.445 265 H N 0.379 119.587 119.070 0.229 0.000 2.685 265 H HA 0.372 4.928 4.556 0.000 0.000 0.307 265 H C -0.688 174.717 175.328 0.127 0.000 1.017 265 H CA -0.703 55.422 56.048 0.128 0.000 1.237 265 H CB 1.220 30.997 29.762 0.024 0.000 1.409 265 H HN 0.679 nan 8.280 nan 0.000 0.488 266 A N 3.174 126.114 122.820 0.200 0.000 2.282 266 A HA 0.571 4.891 4.320 0.000 0.000 0.319 266 A C -0.518 177.103 177.584 0.061 0.000 1.121 266 A CA -0.655 51.424 52.037 0.071 0.000 0.836 266 A CB 0.994 20.034 19.000 0.067 0.000 1.146 266 A HN 0.518 nan 8.150 nan 0.000 0.494 267 L N 1.499 122.734 121.223 0.020 0.000 2.376 267 L HA 0.756 5.096 4.340 0.000 0.000 0.275 267 L C -1.028 175.830 176.870 -0.020 0.000 0.987 267 L CA -0.288 54.558 54.840 0.011 0.000 0.828 267 L CB 1.293 43.357 42.059 0.009 0.000 1.249 267 L HN 0.674 nan 8.230 nan 0.000 0.409 268 I N 5.021 125.558 120.570 -0.054 0.000 2.493 268 I HA 0.706 4.876 4.170 0.000 0.000 0.298 268 I C -1.263 174.669 176.117 -0.310 0.000 0.998 268 I CA -0.658 60.514 61.300 -0.212 0.000 1.137 268 I CB 1.872 39.720 38.000 -0.254 0.000 1.310 268 I HN 0.460 nan 8.210 nan 0.000 0.445 269 V N 7.690 127.326 119.914 -0.464 0.000 2.482 269 V HA 0.306 4.426 4.120 0.000 0.000 0.295 269 V C -1.273 174.472 176.094 -0.582 0.000 1.026 269 V CA -0.452 61.623 62.300 -0.375 0.000 0.856 269 V CB 1.325 33.036 31.823 -0.187 0.000 1.001 269 V HN 0.497 nan 8.190 nan 0.000 0.424 270 Y N 2.591 122.756 120.300 -0.226 0.000 2.594 270 Y HA 0.460 5.010 4.550 0.000 0.000 0.342 270 Y C 0.336 176.092 175.900 -0.241 0.000 1.010 270 Y CA -0.549 57.405 58.100 -0.243 0.000 1.270 270 Y CB 0.729 39.067 38.460 -0.204 0.000 1.125 270 Y HN 0.522 nan 8.280 nan 0.000 0.513 271 D N 3.714 123.973 120.400 -0.234 0.000 2.462 271 D HA 0.204 4.844 4.640 0.000 0.000 0.249 271 D C -1.407 174.831 176.300 -0.103 0.000 1.117 271 D CA -0.452 53.434 54.000 -0.189 0.000 0.900 271 D CB 0.301 40.913 40.800 -0.315 0.000 1.039 271 D HN 0.681 nan 8.370 nan 0.000 0.516 272 D N 0.364 120.744 120.400 -0.034 0.000 2.756 272 D HA 0.217 4.857 4.640 0.000 0.000 0.226 272 D C 1.083 177.383 176.300 0.000 0.000 1.186 272 D CA -0.733 53.257 54.000 -0.018 0.000 0.845 272 D CB 1.307 42.103 40.800 -0.006 0.000 1.610 272 D HN 0.029 nan 8.370 nan 0.000 0.465 273 L N 0.625 121.841 121.223 -0.012 0.000 2.265 273 L HA -0.097 4.243 4.340 0.000 0.000 0.215 273 L C 1.846 178.737 176.870 0.036 0.000 1.117 273 L CA 0.814 55.642 54.840 -0.021 0.000 0.782 273 L CB -0.527 41.488 42.059 -0.074 0.000 0.914 273 L HN 0.446 nan 8.230 nan 0.000 0.441 274 S N 0.219 115.944 115.700 0.041 0.000 2.348 274 S HA -0.198 4.272 4.470 0.000 0.000 0.221 274 S C 2.012 176.680 174.600 0.113 0.000 1.033 274 S CA 1.432 59.681 58.200 0.081 0.000 1.010 274 S CB -0.123 63.115 63.200 0.063 0.000 0.891 274 S HN 0.367 nan 8.310 nan 0.000 0.442 275 K N 1.023 121.473 120.400 0.082 0.000 2.155 275 K HA -0.027 4.293 4.320 0.000 0.000 0.203 275 K C 2.463 179.126 176.600 0.105 0.000 1.052 275 K CA 0.729 57.067 56.287 0.086 0.000 0.948 275 K CB -0.124 32.414 32.500 0.062 0.000 0.728 275 K HN 0.360 nan 8.250 nan 0.000 0.448 276 Q N 0.577 120.433 119.800 0.094 0.000 2.096 276 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 276 Q C 1.864 177.982 176.000 0.197 0.000 0.982 276 Q CA 1.835 57.705 55.803 0.110 0.000 0.850 276 Q CB -0.140 28.615 28.738 0.028 0.000 0.901 276 Q HN 0.332 nan 8.270 nan 0.000 0.422 277 A N -0.112 122.843 122.820 0.225 0.000 2.066 277 A HA -0.045 4.275 4.320 0.000 0.000 0.218 277 A C 2.089 179.894 177.584 0.370 0.000 1.157 277 A CA 1.042 53.304 52.037 0.375 0.000 0.670 277 A CB -0.243 18.994 19.000 0.395 0.000 0.804 277 A HN 0.309 nan 8.150 nan 0.000 0.453 278 V N -0.632 119.407 119.914 0.208 0.000 2.667 278 V HA -0.130 3.990 4.120 0.000 0.000 0.252 278 V C 2.856 178.966 176.094 0.027 0.000 1.065 278 V CA 1.601 63.919 62.300 0.030 0.000 1.083 278 V CB -0.526 31.316 31.823 0.031 0.000 0.692 278 V HN 0.600 nan 8.190 nan 0.000 0.468 279 A N -0.943 121.951 122.820 0.124 0.000 1.898 279 A HA -0.167 4.153 4.320 0.000 0.000 0.214 279 A C 2.127 179.817 177.584 0.176 0.000 1.183 279 A CA 1.348 53.465 52.037 0.134 0.000 0.622 279 A CB -0.671 18.436 19.000 0.179 0.000 0.824 279 A HN 0.567 nan 8.150 nan 0.000 0.444 280 Y N 0.895 121.293 120.300 0.163 0.000 2.224 280 Y HA -0.196 4.354 4.550 0.000 0.000 0.289 280 Y C 2.357 178.280 175.900 0.038 0.000 1.146 280 Y CA 1.905 60.101 58.100 0.160 0.000 1.182 280 Y CB -0.499 38.171 38.460 0.349 0.000 0.983 280 Y HN 0.335 nan 8.280 nan 0.000 0.524 281 R N 0.086 120.510 120.500 -0.128 0.000 2.159 281 R HA -0.215 4.125 4.340 0.000 0.000 0.237 281 R C 2.336 178.492 176.300 -0.241 0.000 1.131 281 R CA 1.902 57.822 56.100 -0.300 0.000 0.982 281 R CB -0.261 29.795 30.300 -0.407 0.000 0.868 281 R HN 0.544 nan 8.270 nan 0.000 0.453 282 Q N -0.394 119.321 119.800 -0.142 0.000 2.302 282 Q HA -0.036 4.304 4.340 0.000 0.000 0.202 282 Q C 1.685 177.619 176.000 -0.110 0.000 0.936 282 Q CA 0.213 55.952 55.803 -0.107 0.000 0.886 282 Q CB 0.263 28.969 28.738 -0.054 0.000 0.986 282 Q HN 0.226 nan 8.270 nan 0.000 0.487 283 L N 0.068 121.221 121.223 -0.116 0.000 1.943 283 L HA -0.213 4.127 4.340 0.000 0.000 0.215 283 L C 2.381 179.144 176.870 -0.177 0.000 1.074 283 L CA 1.954 56.710 54.840 -0.140 0.000 0.759 283 L CB -0.973 41.003 42.059 -0.138 0.000 0.888 283 L HN 0.089 nan 8.230 nan 0.000 0.433 284 S N -0.614 114.916 115.700 -0.283 0.000 2.353 284 S HA -0.172 4.298 4.470 0.000 0.000 0.222 284 S C 2.022 176.520 174.600 -0.171 0.000 1.035 284 S CA 1.364 59.407 58.200 -0.261 0.000 1.025 284 S CB -0.545 62.404 63.200 -0.418 0.000 0.902 284 S HN 0.299 nan 8.310 nan 0.000 0.440 285 L N 0.868 121.988 121.223 -0.171 0.000 2.079 285 L HA -0.116 4.224 4.340 0.000 0.000 0.210 285 L C 2.152 178.969 176.870 -0.089 0.000 1.081 285 L CA 1.066 55.834 54.840 -0.120 0.000 0.752 285 L CB -0.532 41.455 42.059 -0.121 0.000 0.896 285 L HN 0.306 nan 8.230 nan 0.000 0.433 286 L N -1.098 120.072 121.223 -0.089 0.000 2.179 286 L HA -0.137 4.203 4.340 0.000 0.000 0.208 286 L C 2.315 179.149 176.870 -0.059 0.000 1.096 286 L CA 0.579 55.379 54.840 -0.067 0.000 0.779 286 L CB -0.313 41.707 42.059 -0.066 0.000 0.922 286 L HN 0.211 nan 8.230 nan 0.000 0.443 287 L N -0.231 120.950 121.223 -0.069 0.000 2.353 287 L HA -0.100 4.240 4.340 0.000 0.000 0.220 287 L C 0.842 177.685 176.870 -0.044 0.000 1.133 287 L CA 0.602 55.408 54.840 -0.055 0.000 0.798 287 L CB -0.313 41.707 42.059 -0.066 0.000 0.922 287 L HN 0.294 nan 8.230 nan 0.000 0.445 288 R N -0.316 120.153 120.500 -0.051 0.000 3.656 288 R HA -0.150 4.191 4.340 0.000 0.000 0.297 288 R C -0.272 176.007 176.300 -0.034 0.000 1.166 288 R CA 0.265 56.342 56.100 -0.040 0.000 0.799 288 R CB -1.882 28.402 30.300 -0.028 0.000 1.285 288 R HN 0.400 nan 8.270 nan 0.000 0.477 289 R N 1.352 121.825 120.500 -0.045 0.000 2.401 289 R HA 0.153 4.493 4.340 0.000 0.000 0.299 289 R C -2.055 174.224 176.300 -0.035 0.000 1.064 289 R CA -1.606 54.473 56.100 -0.035 0.000 1.000 289 R CB 0.209 30.483 30.300 -0.044 0.000 0.973 289 R HN -0.110 nan 8.270 nan 0.000 0.438 290 P HA 0.002 nan 4.420 nan 0.000 0.262 290 P C -2.187 175.110 177.300 -0.006 0.000 1.182 290 P CA -0.497 62.598 63.100 -0.008 0.000 0.761 290 P CB 0.132 31.834 31.700 0.005 0.000 0.795 291 P HA 0.468 nan 4.420 nan 0.000 0.286 291 P C -0.062 177.262 177.300 0.040 0.000 1.292 291 P CA -0.433 62.666 63.100 -0.002 0.000 0.842 291 P CB 1.576 33.260 31.700 -0.026 0.000 1.207 292 G N -0.477 108.367 108.800 0.074 0.000 3.175 292 G HA2 0.335 4.295 3.960 0.000 0.000 0.153 292 G HA3 0.335 4.295 3.960 0.000 0.000 0.153 292 G C -0.680 174.318 174.900 0.165 0.000 1.216 292 G CA -0.686 44.489 45.100 0.126 0.000 0.943 292 G HN 0.534 nan 8.290 nan 0.000 0.611 293 R N 0.754 121.415 120.500 0.268 0.000 2.442 293 R HA 0.205 4.545 4.340 0.000 0.000 0.291 293 R C -0.187 176.324 176.300 0.352 0.000 1.069 293 R CA 0.542 56.834 56.100 0.321 0.000 1.022 293 R CB -0.115 30.443 30.300 0.430 0.000 0.976 293 R HN 0.712 nan 8.270 nan 0.000 0.443 294 E N 2.537 122.901 120.200 0.273 0.000 2.694 294 E HA -0.292 4.058 4.350 0.000 0.000 0.272 294 E C 0.181 176.865 176.600 0.139 0.000 1.040 294 E CA 0.484 57.044 56.400 0.268 0.000 0.809 294 E CB -1.210 28.758 29.700 0.446 0.000 1.389 294 E HN 0.914 nan 8.360 nan 0.000 0.413 295 A N -1.895 120.970 122.820 0.074 0.000 2.869 295 A HA -0.320 4.000 4.320 0.000 0.000 0.272 295 A C 0.211 177.731 177.584 -0.105 0.000 1.332 295 A CA 2.014 54.034 52.037 -0.028 0.000 0.939 295 A CB -1.992 16.961 19.000 -0.078 0.000 1.018 295 A HN 0.490 nan 8.150 nan 0.000 0.696 296 Y N -0.410 119.850 120.300 -0.067 0.000 2.330 296 Y HA 0.418 4.968 4.550 0.000 0.000 0.341 296 Y C -1.833 174.003 175.900 -0.106 0.000 1.278 296 Y CA -1.016 57.011 58.100 -0.122 0.000 1.453 296 Y CB 0.472 38.793 38.460 -0.231 0.000 1.342 296 Y HN 0.188 nan 8.280 nan 0.000 0.590 297 P HA 0.183 nan 4.420 nan 0.000 0.301 297 P C 0.559 177.937 177.300 0.130 0.000 1.348 297 P CA -0.163 62.933 63.100 -0.008 0.000 0.826 297 P CB 1.508 33.038 31.700 -0.282 0.000 0.945 298 G N 4.653 113.528 108.800 0.125 0.000 3.135 298 G HA2 -0.357 3.603 3.960 0.000 0.000 0.315 298 G HA3 -0.357 3.603 3.960 0.000 0.000 0.315 298 G C 0.682 175.710 174.900 0.213 0.000 1.187 298 G CA 1.629 46.825 45.100 0.160 0.000 1.089 298 G HN 0.668 nan 8.290 nan 0.000 0.972 299 D N 1.093 121.643 120.400 0.251 0.000 2.856 299 D HA 0.210 4.850 4.640 0.000 0.000 0.242 299 D C 1.655 178.141 176.300 0.310 0.000 1.226 299 D CA 0.199 54.376 54.000 0.294 0.000 0.855 299 D CB 0.356 41.344 40.800 0.314 0.000 1.065 299 D HN 0.226 nan 8.370 nan 0.000 0.462 300 V N -0.011 120.059 119.914 0.260 0.000 2.515 300 V HA -0.155 3.965 4.120 0.000 0.000 0.250 300 V C 1.740 177.791 176.094 -0.071 0.000 1.058 300 V CA 1.182 63.572 62.300 0.150 0.000 1.064 300 V CB -0.769 31.053 31.823 -0.002 0.000 0.675 300 V HN 0.331 nan 8.190 nan 0.000 0.461 301 F N -0.155 119.754 119.950 -0.069 0.000 2.134 301 F HA -0.203 4.324 4.527 0.000 0.000 0.299 301 F C 2.175 177.847 175.800 -0.213 0.000 1.097 301 F CA 2.183 60.093 58.000 -0.151 0.000 1.264 301 F CB -0.639 38.450 39.000 0.148 0.000 1.001 301 F HN 0.333 nan 8.300 nan 0.000 0.479 302 Y N 0.762 120.995 120.300 -0.111 0.000 2.151 302 Y HA -0.263 4.287 4.550 0.000 0.000 0.284 302 Y C 2.272 178.020 175.900 -0.254 0.000 1.166 302 Y CA 1.644 59.653 58.100 -0.151 0.000 1.163 302 Y CB -1.169 37.296 38.460 0.009 0.000 0.974 302 Y HN 0.214 nan 8.280 nan 0.000 0.511 303 L N 0.490 121.541 121.223 -0.287 0.000 1.991 303 L HA -0.315 4.025 4.340 0.000 0.000 0.221 303 L C 2.458 179.186 176.870 -0.238 0.000 1.079 303 L CA 2.861 57.523 54.840 -0.297 0.000 0.778 303 L CB -1.196 40.703 42.059 -0.266 0.000 0.893 303 L HN 0.596 nan 8.230 nan 0.000 0.437 304 H N -2.947 115.983 119.070 -0.234 0.000 2.553 304 H HA 0.246 4.802 4.556 0.000 0.000 0.265 304 H C 1.863 176.976 175.328 -0.358 0.000 0.964 304 H CA 0.547 56.400 56.048 -0.325 0.000 1.156 304 H CB -0.924 28.657 29.762 -0.302 0.000 1.411 304 H HN 0.409 nan 8.280 nan 0.000 0.558 305 S N 1.475 117.035 115.700 -0.233 0.000 2.388 305 S HA -0.121 4.349 4.470 0.000 0.000 0.223 305 S C 2.020 176.582 174.600 -0.064 0.000 1.034 305 S CA 0.364 58.431 58.200 -0.223 0.000 0.963 305 S CB -0.122 62.815 63.200 -0.439 0.000 0.827 305 S HN 0.629 nan 8.310 nan 0.000 0.481 306 R N 1.334 121.805 120.500 -0.049 0.000 2.070 306 R HA 0.037 4.377 4.340 0.000 0.000 0.232 306 R C 2.285 178.582 176.300 -0.005 0.000 1.138 306 R CA 1.238 57.330 56.100 -0.014 0.000 0.936 306 R CB -1.219 28.986 30.300 -0.159 0.000 0.839 306 R HN 0.345 nan 8.270 nan 0.000 0.429 307 L N 1.675 122.891 121.223 -0.010 0.000 1.991 307 L HA -0.168 4.172 4.340 0.000 0.000 0.221 307 L C 2.229 178.989 176.870 -0.183 0.000 1.079 307 L CA 1.785 56.539 54.840 -0.143 0.000 0.778 307 L CB -0.558 41.181 42.059 -0.535 0.000 0.893 307 L HN 0.300 nan 8.230 nan 0.000 0.437 308 L N -0.957 120.138 121.223 -0.213 0.000 2.395 308 L HA -0.051 4.289 4.340 0.000 0.000 0.218 308 L C 2.440 179.273 176.870 -0.062 0.000 1.130 308 L CA 0.289 55.027 54.840 -0.169 0.000 0.826 308 L CB -0.535 41.408 42.059 -0.194 0.000 0.941 308 L HN 0.321 nan 8.230 nan 0.000 0.451 309 E N 0.609 120.788 120.200 -0.035 0.000 2.152 309 E HA -0.129 4.221 4.350 0.000 0.000 0.192 309 E C 2.215 178.830 176.600 0.024 0.000 0.983 309 E CA 0.685 57.089 56.400 0.007 0.000 0.818 309 E CB 0.037 29.754 29.700 0.029 0.000 0.758 309 E HN 0.432 nan 8.360 nan 0.000 0.467 310 R N 0.948 121.464 120.500 0.027 0.000 2.133 310 R HA -0.087 4.253 4.340 0.000 0.000 0.247 310 R C 1.149 177.483 176.300 0.057 0.000 1.151 310 R CA 0.998 57.127 56.100 0.049 0.000 0.971 310 R CB -0.518 29.821 30.300 0.064 0.000 0.866 310 R HN -0.027 nan 8.270 nan 0.000 0.447 311 A N 1.178 124.030 122.820 0.054 0.000 2.522 311 A HA 0.462 4.782 4.320 0.000 0.000 0.256 311 A C -0.097 177.517 177.584 0.050 0.000 1.086 311 A CA 0.499 52.575 52.037 0.065 0.000 0.763 311 A CB 0.020 19.060 19.000 0.066 0.000 1.024 311 A HN 0.399 nan 8.150 nan 0.000 0.502 312 A N 2.653 125.507 122.820 0.057 0.000 2.605 312 A HA 0.644 4.964 4.320 0.000 0.000 0.294 312 A C -0.648 176.968 177.584 0.054 0.000 1.062 312 A CA -0.807 51.258 52.037 0.047 0.000 0.682 312 A CB 0.887 19.913 19.000 0.043 0.000 1.278 312 A HN 0.816 nan 8.150 nan 0.000 0.410 313 K N 1.375 121.801 120.400 0.043 0.000 2.258 313 K HA 0.646 4.966 4.320 0.000 0.000 0.284 313 K C -0.906 175.720 176.600 0.044 0.000 1.051 313 K CA -0.047 56.269 56.287 0.049 0.000 0.923 313 K CB 0.190 32.712 32.500 0.037 0.000 1.046 313 K HN 0.569 nan 8.250 nan 0.000 0.474 314 L N 2.910 124.168 121.223 0.058 0.000 2.375 314 L HA 0.427 4.767 4.340 0.000 0.000 0.268 314 L C 0.535 177.425 176.870 0.034 0.000 1.058 314 L CA -0.859 54.005 54.840 0.042 0.000 0.803 314 L CB 1.682 43.765 42.059 0.040 0.000 1.212 314 L HN 0.865 nan 8.230 nan 0.000 0.451 315 S N -0.194 115.516 115.700 0.017 0.000 2.713 315 S HA 0.189 4.659 4.470 0.000 0.000 0.277 315 S C 0.675 175.281 174.600 0.009 0.000 1.168 315 S CA -0.663 57.540 58.200 0.006 0.000 0.994 315 S CB 1.072 64.270 63.200 -0.004 0.000 1.054 315 S HN 0.667 nan 8.310 nan 0.000 0.555 316 E N 0.038 120.240 120.200 0.003 0.000 2.333 316 E HA -0.135 4.215 4.350 0.000 0.000 0.198 316 E C 1.535 178.134 176.600 -0.000 0.000 1.007 316 E CA 0.803 57.206 56.400 0.005 0.000 0.845 316 E CB -0.122 29.578 29.700 0.001 0.000 0.766 316 E HN 0.651 nan 8.360 nan 0.000 0.507 317 K N 0.490 120.888 120.400 -0.003 0.000 2.426 317 K HA -0.040 4.280 4.320 0.000 0.000 0.193 317 K C 1.199 177.793 176.600 -0.009 0.000 1.028 317 K CA 0.554 56.837 56.287 -0.006 0.000 1.047 317 K CB 0.530 33.027 32.500 -0.006 0.000 0.821 317 K HN -0.082 nan 8.250 nan 0.000 0.513 318 E N -1.179 119.017 120.200 -0.007 0.000 2.514 318 E HA 0.132 4.482 4.350 0.000 0.000 0.215 318 E C 0.585 177.172 176.600 -0.022 0.000 0.946 318 E CA 0.653 57.044 56.400 -0.014 0.000 1.038 318 E CB 1.692 31.387 29.700 -0.007 0.000 1.069 318 E HN 0.376 nan 8.360 nan 0.000 0.503 319 G N 1.261 110.054 108.800 -0.011 0.000 2.159 319 G HA2 -0.256 3.704 3.960 0.000 0.000 0.170 319 G HA3 -0.256 3.704 3.960 0.000 0.000 0.170 319 G C 0.528 175.434 174.900 0.011 0.000 1.007 319 G CA 0.210 45.299 45.100 -0.018 0.000 0.672 319 G HN 0.056 nan 8.290 nan 0.000 0.507 320 S N -1.849 113.878 115.700 0.045 0.000 3.143 320 S HA -0.193 4.277 4.470 0.000 0.000 0.291 320 S C 1.689 176.418 174.600 0.215 0.000 1.294 320 S CA 1.888 60.155 58.200 0.110 0.000 1.115 320 S CB -1.415 61.859 63.200 0.123 0.000 1.318 320 S HN 2.204 nan 8.310 nan 0.000 0.685 321 G N 0.954 109.822 108.800 0.113 0.000 2.569 321 G HA2 0.538 4.498 3.960 0.000 0.000 0.249 321 G HA3 0.538 4.498 3.960 0.000 0.000 0.249 321 G C -0.047 174.989 174.900 0.227 0.000 1.216 321 G CA 0.347 45.516 45.100 0.115 0.000 0.845 321 G HN 0.923 nan 8.290 nan 0.000 0.568 322 S N -0.779 115.130 115.700 0.348 0.000 2.627 322 S HA 0.680 5.150 4.470 0.000 0.000 0.283 322 S C -1.287 173.423 174.600 0.184 0.000 1.127 322 S CA -0.881 57.447 58.200 0.214 0.000 0.863 322 S CB 2.054 65.344 63.200 0.150 0.000 1.121 322 S HN 0.840 nan 8.310 nan 0.000 0.479 323 L N 1.355 122.657 121.223 0.132 0.000 2.406 323 L HA 0.609 4.949 4.340 0.000 0.000 0.270 323 L C -0.757 176.168 176.870 0.092 0.000 0.982 323 L CA 0.180 55.095 54.840 0.126 0.000 0.843 323 L CB 1.528 43.669 42.059 0.136 0.000 1.225 323 L HN 0.875 nan 8.230 nan 0.000 0.412 324 T N 4.181 118.778 114.554 0.071 0.000 2.837 324 T HA 0.790 5.140 4.350 0.000 0.000 0.285 324 T C -0.193 174.542 174.700 0.059 0.000 0.984 324 T CA -0.118 62.011 62.100 0.047 0.000 1.049 324 T CB 1.222 70.098 68.868 0.014 0.000 0.947 324 T HN 0.754 nan 8.240 nan 0.000 0.472 325 A N 3.684 126.549 122.820 0.075 0.000 2.330 325 A HA 0.759 5.079 4.320 0.000 0.000 0.327 325 A C -0.613 177.017 177.584 0.076 0.000 1.155 325 A CA -0.719 51.394 52.037 0.128 0.000 0.803 325 A CB 0.581 19.722 19.000 0.235 0.000 1.208 325 A HN 0.844 nan 8.150 nan 0.000 0.477 326 L N 4.426 125.689 121.223 0.066 0.000 2.356 326 L HA 0.359 4.699 4.340 0.000 0.000 0.264 326 L C -2.436 174.472 176.870 0.063 0.000 1.029 326 L CA -1.783 53.076 54.840 0.031 0.000 0.897 326 L CB 1.657 43.715 42.059 -0.001 0.000 1.256 326 L HN 0.474 nan 8.230 nan 0.000 0.444 327 P HA 0.204 nan 4.420 nan 0.000 0.284 327 P C -0.493 176.797 177.300 -0.018 0.000 1.253 327 P CA -0.324 62.817 63.100 0.068 0.000 0.800 327 P CB 2.044 33.716 31.700 -0.046 0.000 0.961 328 V N 4.558 124.461 119.914 -0.019 0.000 2.394 328 V HA 0.350 4.470 4.120 0.000 0.000 0.282 328 V C 0.370 176.437 176.094 -0.044 0.000 1.031 328 V CA -0.392 61.884 62.300 -0.040 0.000 0.881 328 V CB 1.044 32.843 31.823 -0.040 0.000 0.982 328 V HN 0.384 nan 8.190 nan 0.000 0.451 329 I N 3.890 124.428 120.570 -0.053 0.000 2.466 329 I HA 0.421 4.591 4.170 0.000 0.000 0.289 329 I C -0.034 176.072 176.117 -0.019 0.000 1.026 329 I CA -0.510 60.766 61.300 -0.039 0.000 1.078 329 I CB 1.953 39.915 38.000 -0.062 0.000 1.249 329 I HN 0.735 nan 8.210 nan 0.000 0.429 330 E N 5.090 125.293 120.200 0.006 0.000 2.115 330 E HA 0.359 4.709 4.350 0.000 0.000 0.282 330 E C -0.414 176.208 176.600 0.037 0.000 0.987 330 E CA -0.390 56.022 56.400 0.020 0.000 0.797 330 E CB 0.982 30.698 29.700 0.026 0.000 1.086 330 E HN 0.697 nan 8.360 nan 0.000 0.397 331 T N 2.186 116.766 114.554 0.043 0.000 2.922 331 T HA 0.282 4.632 4.350 0.000 0.000 0.285 331 T C -0.027 174.709 174.700 0.060 0.000 1.005 331 T CA -1.085 61.053 62.100 0.062 0.000 1.061 331 T CB 1.476 70.394 68.868 0.084 0.000 1.007 331 T HN 0.317 nan 8.240 nan 0.000 0.502 332 Q N 1.118 120.957 119.800 0.065 0.000 2.296 332 Q HA 0.432 4.772 4.340 0.000 0.000 0.257 332 Q C 1.199 177.234 176.000 0.057 0.000 0.942 332 Q CA 0.185 56.023 55.803 0.059 0.000 0.939 332 Q CB 0.844 29.619 28.738 0.062 0.000 1.198 332 Q HN 1.275 nan 8.270 nan 0.000 0.429 333 G N 2.029 110.860 108.800 0.051 0.000 2.390 333 G HA2 -0.208 3.752 3.960 0.000 0.000 0.299 333 G HA3 -0.208 3.752 3.960 0.000 0.000 0.299 333 G C 0.873 175.804 174.900 0.051 0.000 1.002 333 G CA 1.021 46.150 45.100 0.049 0.000 0.979 333 G HN 1.304 nan 8.290 nan 0.000 0.513 334 G N -0.891 107.946 108.800 0.062 0.000 2.179 334 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 334 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 334 G C 0.310 175.252 174.900 0.069 0.000 0.977 334 G CA 0.916 46.056 45.100 0.066 0.000 0.641 334 G HN 1.405 nan 8.290 nan 0.000 0.533 335 D N 0.928 121.369 120.400 0.069 0.000 2.455 335 D HA 0.380 5.020 4.640 0.000 0.000 0.234 335 D C 1.736 178.091 176.300 0.092 0.000 1.224 335 D CA 0.413 54.453 54.000 0.067 0.000 0.999 335 D CB 0.536 41.372 40.800 0.060 0.000 1.072 335 D HN 0.720 nan 8.370 nan 0.000 0.514 336 V N 1.192 121.174 119.914 0.114 0.000 3.620 336 V HA 0.140 4.260 4.120 0.000 0.000 0.286 336 V C 0.832 176.999 176.094 0.121 0.000 1.288 336 V CA 0.496 62.896 62.300 0.167 0.000 1.178 336 V CB -0.106 31.916 31.823 0.331 0.000 0.986 336 V HN 0.318 nan 8.190 nan 0.000 0.431 337 S N 0.685 116.434 115.700 0.081 0.000 2.578 337 S HA 0.655 5.125 4.470 0.000 0.000 0.231 337 S C 1.013 175.644 174.600 0.052 0.000 0.994 337 S CA 0.299 58.533 58.200 0.056 0.000 0.956 337 S CB 0.484 63.705 63.200 0.034 0.000 0.870 337 S HN 0.887 nan 8.310 nan 0.000 0.494 338 A N 0.665 123.530 122.820 0.075 0.000 2.313 338 A HA 0.528 4.848 4.320 0.000 0.000 0.261 338 A C 0.842 178.503 177.584 0.128 0.000 1.090 338 A CA -0.331 51.764 52.037 0.097 0.000 0.807 338 A CB -0.053 19.012 19.000 0.109 0.000 1.055 338 A HN 0.236 nan 8.150 nan 0.000 0.492 339 Y N 0.953 121.261 120.300 0.013 0.000 1.977 339 Y HA -0.298 4.252 4.550 0.000 0.000 0.264 339 Y C 2.065 177.958 175.900 -0.011 0.000 1.167 339 Y CA 2.665 60.757 58.100 -0.013 0.000 1.102 339 Y CB -0.268 38.152 38.460 -0.068 0.000 0.948 339 Y HN 0.514 nan 8.280 nan 0.000 0.489 340 I N 0.113 120.810 120.570 0.212 0.000 2.179 340 I HA -0.192 3.978 4.170 0.000 0.000 0.242 340 I C -0.396 175.771 176.117 0.083 0.000 1.088 340 I CA 1.446 62.814 61.300 0.114 0.000 1.357 340 I CB -2.950 35.022 38.000 -0.047 0.000 1.051 340 I HN 0.209 nan 8.210 nan 0.000 0.409 341 P HA -0.085 nan 4.420 nan 0.000 0.217 341 P C 1.830 179.151 177.300 0.035 0.000 1.150 341 P CA 1.568 64.681 63.100 0.022 0.000 0.832 341 P CB -0.173 31.556 31.700 0.049 0.000 0.787 342 T N -0.759 113.842 114.554 0.079 0.000 2.821 342 T HA -0.100 4.250 4.350 0.000 0.000 0.267 342 T C 1.673 176.429 174.700 0.093 0.000 1.046 342 T CA 1.202 63.345 62.100 0.072 0.000 1.139 342 T CB -0.853 68.042 68.868 0.045 0.000 0.871 342 T HN 0.084 nan 8.240 nan 0.000 0.454 343 N N 1.044 119.849 118.700 0.174 0.000 2.061 343 N HA -0.087 4.653 4.740 0.000 0.000 0.193 343 N C 1.820 177.432 175.510 0.170 0.000 1.030 343 N CA 0.959 54.210 53.050 0.334 0.000 0.856 343 N CB -0.687 38.174 38.487 0.623 0.000 1.023 343 N HN 0.209 nan 8.380 nan 0.000 0.424 344 V N 1.100 120.949 119.914 -0.108 0.000 3.041 344 V HA -0.031 4.089 4.120 0.000 0.000 0.260 344 V C 2.075 178.104 176.094 -0.109 0.000 1.105 344 V CA 0.666 62.804 62.300 -0.271 0.000 1.125 344 V CB -0.290 31.297 31.823 -0.393 0.000 0.730 344 V HN 0.227 nan 8.190 nan 0.000 0.479 345 I N 1.019 121.567 120.570 -0.036 0.000 2.286 345 I HA -0.154 4.016 4.170 0.000 0.000 0.245 345 I C 2.511 178.641 176.117 0.021 0.000 1.104 345 I CA 1.681 62.971 61.300 -0.016 0.000 1.397 345 I CB -0.340 37.672 38.000 0.020 0.000 1.072 345 I HN 0.449 nan 8.210 nan 0.000 0.417 346 S N 0.451 116.188 115.700 0.062 0.000 2.561 346 S HA 0.066 4.536 4.470 0.000 0.000 0.225 346 S C 1.801 176.467 174.600 0.111 0.000 0.977 346 S CA 0.337 58.587 58.200 0.083 0.000 0.926 346 S CB -0.483 62.770 63.200 0.089 0.000 0.769 346 S HN 0.375 nan 8.310 nan 0.000 0.533 347 I N 2.190 122.819 120.570 0.098 0.000 2.235 347 I HA -0.044 4.126 4.170 0.000 0.000 0.241 347 I C 1.822 177.946 176.117 0.012 0.000 1.085 347 I CA 1.066 62.404 61.300 0.063 0.000 1.378 347 I CB -0.836 37.145 38.000 -0.032 0.000 1.076 347 I HN 0.444 nan 8.210 nan 0.000 0.415 348 T N -1.477 113.064 114.554 -0.022 0.000 2.766 348 T HA 0.030 4.380 4.350 0.000 0.000 0.295 348 T C 0.395 175.091 174.700 -0.007 0.000 1.024 348 T CA -0.485 61.598 62.100 -0.029 0.000 1.018 348 T CB 0.738 69.573 68.868 -0.056 0.000 1.002 348 T HN 0.156 nan 8.240 nan 0.000 0.532 349 D N 0.615 121.011 120.400 -0.007 0.000 2.434 349 D HA 0.382 5.022 4.640 0.000 0.000 0.232 349 D C 0.857 177.157 176.300 0.001 0.000 1.166 349 D CA 0.053 54.055 54.000 0.003 0.000 0.830 349 D CB -0.352 40.451 40.800 0.005 0.000 0.960 349 D HN 0.980 nan 8.370 nan 0.000 0.497 350 G N 0.931 109.726 108.800 -0.008 0.000 2.312 350 G HA2 0.167 4.127 3.960 0.000 0.000 0.347 350 G HA3 0.167 4.127 3.960 0.000 0.000 0.347 350 G C -1.767 173.105 174.900 -0.047 0.000 1.564 350 G CA -1.062 44.032 45.100 -0.009 0.000 0.981 350 G HN 0.027 nan 8.290 nan 0.000 0.678 351 Q N -0.410 119.356 119.800 -0.057 0.000 2.377 351 Q HA 0.805 5.145 4.340 0.000 0.000 0.271 351 Q C -0.343 175.576 176.000 -0.135 0.000 1.077 351 Q CA -0.732 54.965 55.803 -0.177 0.000 0.820 351 Q CB 2.476 30.980 28.738 -0.390 0.000 1.347 351 Q HN 0.635 nan 8.270 nan 0.000 0.444 352 I N 1.876 122.333 120.570 -0.188 0.000 2.354 352 I HA 0.365 4.535 4.170 0.000 0.000 0.286 352 I C -0.991 175.033 176.117 -0.154 0.000 1.007 352 I CA -0.541 60.706 61.300 -0.089 0.000 1.167 352 I CB 0.619 38.593 38.000 -0.043 0.000 1.320 352 I HN 0.463 nan 8.210 nan 0.000 0.458 353 F N 6.803 126.762 119.950 0.014 0.000 2.405 353 F HA 0.444 4.971 4.527 0.000 0.000 0.355 353 F C -0.028 175.784 175.800 0.020 0.000 1.121 353 F CA -0.356 57.653 58.000 0.015 0.000 1.112 353 F CB 0.951 39.961 39.000 0.016 0.000 1.126 353 F HN 0.190 nan 8.300 nan 0.000 0.481 354 L N 4.914 126.255 121.223 0.196 0.000 2.280 354 L HA 0.452 4.792 4.340 0.000 0.000 0.287 354 L C -0.538 176.411 176.870 0.133 0.000 1.023 354 L CA -0.577 54.342 54.840 0.131 0.000 0.819 354 L CB 1.145 43.242 42.059 0.064 0.000 1.212 354 L HN 0.537 nan 8.230 nan 0.000 0.420 355 E N 2.185 122.457 120.200 0.119 0.000 2.145 355 E HA 0.397 4.747 4.350 0.000 0.000 0.270 355 E C 0.407 177.064 176.600 0.096 0.000 0.906 355 E CA -0.524 55.936 56.400 0.100 0.000 0.761 355 E CB 2.327 32.078 29.700 0.086 0.000 1.116 355 E HN 0.702 nan 8.360 nan 0.000 0.408 356 A N 3.766 126.636 122.820 0.083 0.000 1.870 356 A HA -0.343 3.977 4.320 0.000 0.000 0.219 356 A C 2.037 179.756 177.584 0.225 0.000 1.224 356 A CA 2.282 54.380 52.037 0.101 0.000 0.650 356 A CB -0.609 18.500 19.000 0.182 0.000 0.836 356 A HN 0.890 nan 8.150 nan 0.000 0.454 357 E N -0.182 120.161 120.200 0.239 0.000 2.169 357 E HA -0.256 4.095 4.350 0.000 0.000 0.202 357 E C 1.873 178.590 176.600 0.196 0.000 1.016 357 E CA 1.751 58.292 56.400 0.235 0.000 0.817 357 E CB -0.292 29.490 29.700 0.137 0.000 0.736 357 E HN 0.679 nan 8.360 nan 0.000 0.462 358 L N -0.485 120.824 121.223 0.144 0.000 2.131 358 L HA -0.039 4.301 4.340 0.000 0.000 0.206 358 L C 2.486 179.408 176.870 0.088 0.000 1.087 358 L CA 0.695 55.599 54.840 0.107 0.000 0.767 358 L CB -0.428 41.685 42.059 0.089 0.000 0.917 358 L HN 0.153 nan 8.230 nan 0.000 0.441 359 F N -0.031 119.857 119.950 -0.105 0.000 2.126 359 F HA -0.298 4.229 4.527 0.000 0.000 0.299 359 F C 2.258 177.899 175.800 -0.265 0.000 1.096 359 F CA 1.680 59.535 58.000 -0.242 0.000 1.255 359 F CB -0.137 38.606 39.000 -0.429 0.000 0.997 359 F HN -0.037 nan 8.300 nan 0.000 0.479 360 Y N 0.189 120.640 120.300 0.251 0.000 2.286 360 Y HA -0.040 4.510 4.550 0.000 0.000 0.293 360 Y C 2.340 178.268 175.900 0.046 0.000 1.124 360 Y CA 1.149 59.338 58.100 0.149 0.000 1.178 360 Y CB -0.802 37.757 38.460 0.165 0.000 1.010 360 Y HN -0.027 nan 8.280 nan 0.000 0.536 361 K N -0.612 119.888 120.400 0.168 0.000 2.439 361 K HA 0.028 4.348 4.320 0.000 0.000 0.197 361 K C 1.156 177.776 176.600 0.034 0.000 1.041 361 K CA 0.833 57.177 56.287 0.095 0.000 0.970 361 K CB -0.236 32.314 32.500 0.084 0.000 0.773 361 K HN 0.489 nan 8.250 nan 0.000 0.479 362 G N 0.688 109.471 108.800 -0.029 0.000 2.179 362 G HA2 -0.150 3.810 3.960 0.000 0.000 0.220 362 G HA3 -0.150 3.810 3.960 0.000 0.000 0.220 362 G C -0.049 174.794 174.900 -0.097 0.000 0.990 362 G CA -0.168 44.877 45.100 -0.090 0.000 0.646 362 G HN 0.142 nan 8.290 nan 0.000 0.517 363 I N 1.979 122.513 120.570 -0.061 0.000 2.278 363 I HA 0.421 4.591 4.170 0.000 0.000 0.296 363 I C 0.605 176.682 176.117 -0.067 0.000 1.121 363 I CA -0.050 61.229 61.300 -0.036 0.000 1.267 363 I CB -0.370 37.641 38.000 0.019 0.000 1.447 363 I HN 0.142 nan 8.210 nan 0.000 0.509 364 R N 7.000 127.438 120.500 -0.105 0.000 2.561 364 R HA 0.491 4.831 4.340 0.000 0.000 0.297 364 R C -2.594 173.684 176.300 -0.036 0.000 0.969 364 R CA -1.800 54.239 56.100 -0.101 0.000 0.879 364 R CB 2.085 32.218 30.300 -0.278 0.000 1.178 364 R HN 0.283 nan 8.270 nan 0.000 0.445 365 P HA -0.050 nan 4.420 nan 0.000 0.266 365 P C -0.430 176.908 177.300 0.064 0.000 1.195 365 P CA -0.023 63.106 63.100 0.048 0.000 0.768 365 P CB 0.652 32.375 31.700 0.037 0.000 0.838 366 A N 4.506 127.395 122.820 0.115 0.000 3.063 366 A HA 0.246 4.566 4.320 0.000 0.000 0.263 366 A C 0.495 178.140 177.584 0.102 0.000 1.736 366 A CA -0.355 51.752 52.037 0.116 0.000 1.408 366 A CB -1.471 17.636 19.000 0.177 0.000 1.108 366 A HN 0.452 nan 8.150 nan 0.000 0.621 367 I N 1.399 122.021 120.570 0.087 0.000 2.325 367 I HA 0.094 4.264 4.170 0.000 0.000 0.291 367 I C 0.418 176.596 176.117 0.101 0.000 1.019 367 I CA -0.504 60.855 61.300 0.098 0.000 1.302 367 I CB 0.932 38.980 38.000 0.079 0.000 1.401 367 I HN 0.405 nan 8.210 nan 0.000 0.485 368 N N 6.154 124.932 118.700 0.129 0.000 2.405 368 N HA 0.073 4.813 4.740 0.000 0.000 0.260 368 N C 0.734 176.301 175.510 0.094 0.000 1.152 368 N CA 0.103 53.209 53.050 0.093 0.000 0.948 368 N CB 1.273 39.794 38.487 0.057 0.000 1.111 368 N HN 0.421 nan 8.380 nan 0.000 0.485 369 V N 4.260 124.216 119.914 0.070 0.000 2.220 369 V HA -0.192 3.928 4.120 0.000 0.000 0.246 369 V C 2.355 178.484 176.094 0.057 0.000 1.049 369 V CA 2.366 64.706 62.300 0.067 0.000 1.003 369 V CB -1.257 30.603 31.823 0.061 0.000 0.634 369 V HN 0.804 nan 8.190 nan 0.000 0.444 370 G N -0.208 108.608 108.800 0.028 0.000 2.631 370 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 370 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 370 G C 1.537 176.442 174.900 0.009 0.000 1.214 370 G CA 1.445 46.548 45.100 0.006 0.000 0.785 370 G HN 0.476 nan 8.290 nan 0.000 0.596 371 L N 0.728 121.935 121.223 -0.028 0.000 2.478 371 L HA 0.136 4.476 4.340 0.000 0.000 0.223 371 L C 0.916 177.940 176.870 0.257 0.000 1.140 371 L CA -0.112 54.696 54.840 -0.055 0.000 0.842 371 L CB 0.090 41.837 42.059 -0.520 0.000 0.953 371 L HN 0.031 nan 8.230 nan 0.000 0.452 372 S N 0.155 116.006 115.700 0.251 0.000 2.452 372 S HA 0.458 4.928 4.470 0.000 0.000 0.284 372 S C -0.305 174.379 174.600 0.140 0.000 1.171 372 S CA -0.538 57.815 58.200 0.254 0.000 1.064 372 S CB 1.276 64.590 63.200 0.192 0.000 0.967 372 S HN 0.065 nan 8.310 nan 0.000 0.484 373 V N 1.170 121.153 119.914 0.114 0.000 2.841 373 V HA 0.775 4.895 4.120 0.000 0.000 0.310 373 V C -0.149 175.970 176.094 0.043 0.000 1.090 373 V CA -0.862 61.481 62.300 0.071 0.000 0.930 373 V CB 1.772 33.637 31.823 0.070 0.000 1.014 373 V HN 0.630 nan 8.190 nan 0.000 0.425 374 S N 2.455 118.175 115.700 0.033 0.000 2.462 374 S HA 0.523 4.993 4.470 0.000 0.000 0.294 374 S C 0.760 175.373 174.600 0.021 0.000 1.144 374 S CA -0.684 57.529 58.200 0.020 0.000 1.088 374 S CB 1.350 64.559 63.200 0.015 0.000 1.009 374 S HN 0.830 nan 8.310 nan 0.000 0.484 375 R N 2.905 123.415 120.500 0.017 0.000 2.254 375 R HA 0.098 4.438 4.340 0.000 0.000 0.195 375 R C 1.477 177.786 176.300 0.015 0.000 0.957 375 R CA 0.521 56.632 56.100 0.018 0.000 1.024 375 R CB -0.080 30.230 30.300 0.018 0.000 0.952 375 R HN 0.538 nan 8.270 nan 0.000 0.484 376 V N 0.228 120.149 119.914 0.012 0.000 2.719 376 V HA 0.016 4.136 4.120 0.000 0.000 0.252 376 V C 1.628 177.730 176.094 0.013 0.000 1.065 376 V CA 1.299 63.605 62.300 0.011 0.000 1.086 376 V CB -0.646 31.182 31.823 0.008 0.000 0.700 376 V HN 0.642 nan 8.190 nan 0.000 0.467 377 G N 1.229 110.037 108.800 0.014 0.000 2.583 377 G HA2 -0.393 3.567 3.960 0.000 0.000 0.292 377 G HA3 -0.393 3.567 3.960 0.000 0.000 0.292 377 G C 1.113 176.021 174.900 0.012 0.000 1.203 377 G CA 0.921 46.030 45.100 0.016 0.000 0.987 377 G HN 0.729 nan 8.290 nan 0.000 0.554 378 S N 0.705 116.413 115.700 0.014 0.000 2.453 378 S HA 0.260 4.730 4.470 0.000 0.000 0.231 378 S C 2.560 177.166 174.600 0.009 0.000 1.005 378 S CA 1.720 59.927 58.200 0.012 0.000 0.949 378 S CB -0.319 62.890 63.200 0.014 0.000 0.774 378 S HN 1.845 nan 8.310 nan 0.000 0.510 379 A N 1.784 124.612 122.820 0.013 0.000 1.930 379 A HA 0.377 4.697 4.320 0.000 0.000 0.217 379 A C 2.071 179.662 177.584 0.012 0.000 1.175 379 A CA 1.273 53.323 52.037 0.022 0.000 0.627 379 A CB -0.871 18.148 19.000 0.031 0.000 0.815 379 A HN 0.715 nan 8.150 nan 0.000 0.443 380 A N -1.151 121.668 122.820 -0.002 0.000 2.476 380 A HA 0.407 4.727 4.320 0.000 0.000 0.263 380 A C 0.552 178.110 177.584 -0.042 0.000 1.342 380 A CA -0.081 51.940 52.037 -0.027 0.000 0.926 380 A CB -0.288 18.698 19.000 -0.023 0.000 1.019 380 A HN 0.589 nan 8.150 nan 0.000 0.515 381 Q N -0.464 119.316 119.800 -0.033 0.000 2.399 381 Q HA 0.538 4.878 4.340 0.000 0.000 0.276 381 Q C -1.228 174.750 176.000 -0.036 0.000 1.098 381 Q CA -0.712 55.074 55.803 -0.029 0.000 0.827 381 Q CB 2.315 31.049 28.738 -0.008 0.000 1.386 381 Q HN 0.133 nan 8.270 nan 0.000 0.443 382 V N 4.566 124.462 119.914 -0.030 0.000 2.479 382 V HA -0.031 4.089 4.120 0.000 0.000 0.281 382 V C 1.167 177.255 176.094 -0.009 0.000 1.031 382 V CA 0.094 62.379 62.300 -0.025 0.000 1.038 382 V CB 0.719 32.536 31.823 -0.010 0.000 0.981 382 V HN 0.776 nan 8.190 nan 0.000 0.478 383 K N 4.048 124.442 120.400 -0.012 0.000 2.218 383 K HA -0.203 4.117 4.320 0.000 0.000 0.205 383 K C 2.014 178.619 176.600 0.008 0.000 1.046 383 K CA 1.563 57.849 56.287 -0.001 0.000 0.933 383 K CB -0.383 32.115 32.500 -0.003 0.000 0.728 383 K HN 0.819 nan 8.250 nan 0.000 0.454 384 A N 0.540 123.365 122.820 0.007 0.000 1.968 384 A HA -0.079 4.241 4.320 0.000 0.000 0.217 384 A C 2.097 179.697 177.584 0.027 0.000 1.169 384 A CA 0.740 52.786 52.037 0.015 0.000 0.638 384 A CB -0.221 18.784 19.000 0.007 0.000 0.812 384 A HN 0.163 nan 8.150 nan 0.000 0.446 385 L N -0.376 120.861 121.223 0.024 0.000 2.179 385 L HA 0.042 4.382 4.340 0.000 0.000 0.208 385 L C 2.162 179.051 176.870 0.032 0.000 1.096 385 L CA 1.647 56.507 54.840 0.033 0.000 0.779 385 L CB -0.360 41.715 42.059 0.027 0.000 0.922 385 L HN 0.324 nan 8.230 nan 0.000 0.443 386 K N -0.818 119.596 120.400 0.024 0.000 2.283 386 K HA -0.155 4.165 4.320 0.000 0.000 0.202 386 K C 1.806 178.422 176.600 0.027 0.000 1.048 386 K CA 1.205 57.505 56.287 0.022 0.000 0.948 386 K CB 0.199 32.709 32.500 0.016 0.000 0.742 386 K HN 0.501 nan 8.250 nan 0.000 0.458 387 Q N -0.129 119.691 119.800 0.033 0.000 2.204 387 Q HA -0.068 4.272 4.340 0.000 0.000 0.198 387 Q C 2.071 178.103 176.000 0.054 0.000 0.946 387 Q CA 1.167 56.995 55.803 0.040 0.000 0.859 387 Q CB 0.223 28.986 28.738 0.043 0.000 0.946 387 Q HN 0.222 nan 8.270 nan 0.000 0.474 388 V N -1.328 118.629 119.914 0.071 0.000 2.453 388 V HA 0.108 4.228 4.120 0.000 0.000 0.247 388 V C 1.200 177.313 176.094 0.032 0.000 1.048 388 V CA 0.710 63.064 62.300 0.091 0.000 1.049 388 V CB -1.054 30.859 31.823 0.149 0.000 0.672 388 V HN 0.156 nan 8.190 nan 0.000 0.457 389 A N 1.672 124.509 122.820 0.030 0.000 2.541 389 A HA 0.566 4.886 4.320 0.000 0.000 0.293 389 A C 1.476 179.062 177.584 0.003 0.000 1.307 389 A CA 0.503 52.550 52.037 0.015 0.000 0.978 389 A CB -0.472 18.544 19.000 0.027 0.000 1.111 389 A HN 0.565 nan 8.150 nan 0.000 0.535 390 G N 1.633 110.418 108.800 -0.026 0.000 2.866 390 G HA2 0.023 3.983 3.960 0.000 0.000 0.207 390 G HA3 0.023 3.983 3.960 0.000 0.000 0.207 390 G C 0.777 175.673 174.900 -0.007 0.000 1.402 390 G CA 1.127 46.205 45.100 -0.036 0.000 0.830 390 G HN 0.819 nan 8.290 nan 0.000 0.644 391 S N 0.262 115.961 115.700 -0.001 0.000 2.558 391 S HA 0.290 4.760 4.470 0.000 0.000 0.238 391 S C 1.006 175.664 174.600 0.096 0.000 1.183 391 S CA -0.531 57.696 58.200 0.046 0.000 1.185 391 S CB 1.060 64.293 63.200 0.056 0.000 1.003 391 S HN 0.237 nan 8.310 nan 0.000 0.478 392 L N 2.430 123.700 121.223 0.078 0.000 1.994 392 L HA 0.045 4.385 4.340 0.000 0.000 0.208 392 L C 2.273 179.233 176.870 0.150 0.000 1.071 392 L CA 1.954 56.868 54.840 0.123 0.000 0.745 392 L CB -0.279 41.824 42.059 0.074 0.000 0.892 392 L HN 0.260 nan 8.230 nan 0.000 0.431 393 K N -0.928 119.532 120.400 0.099 0.000 2.152 393 K HA -0.194 4.126 4.320 0.000 0.000 0.206 393 K C 2.160 178.811 176.600 0.085 0.000 1.048 393 K CA 1.552 57.889 56.287 0.084 0.000 0.933 393 K CB -0.253 32.285 32.500 0.064 0.000 0.721 393 K HN 0.337 nan 8.250 nan 0.000 0.447 394 L N -0.193 121.090 121.223 0.100 0.000 2.068 394 L HA -0.128 4.212 4.340 0.000 0.000 0.204 394 L C 2.260 179.201 176.870 0.117 0.000 1.076 394 L CA 0.813 55.709 54.840 0.093 0.000 0.753 394 L CB -0.246 41.867 42.059 0.091 0.000 0.910 394 L HN 0.077 nan 8.230 nan 0.000 0.439 395 F N 0.290 120.254 119.950 0.023 0.000 2.102 395 F HA -0.233 4.294 4.527 0.000 0.000 0.298 395 F C 2.023 177.856 175.800 0.055 0.000 1.105 395 F CA 1.693 59.709 58.000 0.027 0.000 1.239 395 F CB -0.240 38.763 39.000 0.005 0.000 0.991 395 F HN -0.081 nan 8.300 nan 0.000 0.474 396 L N -0.048 121.131 121.223 -0.073 0.000 2.201 396 L HA -0.128 4.212 4.340 0.000 0.000 0.212 396 L C 2.764 179.607 176.870 -0.045 0.000 1.105 396 L CA 0.892 55.663 54.840 -0.115 0.000 0.775 396 L CB -1.142 40.941 42.059 0.041 0.000 0.913 396 L HN 0.277 nan 8.230 nan 0.000 0.440 397 A N -0.117 122.687 122.820 -0.028 0.000 1.902 397 A HA -0.247 4.073 4.320 0.000 0.000 0.217 397 A C 2.223 179.768 177.584 -0.064 0.000 1.181 397 A CA 1.486 53.508 52.037 -0.025 0.000 0.623 397 A CB -0.408 18.590 19.000 -0.004 0.000 0.818 397 A HN 0.474 nan 8.150 nan 0.000 0.443 398 Q N -2.027 117.710 119.800 -0.104 0.000 2.170 398 Q HA -0.204 4.136 4.340 0.000 0.000 0.203 398 Q C 1.942 177.847 176.000 -0.157 0.000 0.976 398 Q CA 1.715 57.441 55.803 -0.128 0.000 0.858 398 Q CB -0.393 28.262 28.738 -0.138 0.000 0.907 398 Q HN 0.854 nan 8.270 nan 0.000 0.433 399 Y N 1.391 121.475 120.300 -0.359 0.000 2.114 399 Y HA -0.184 4.366 4.550 0.000 0.000 0.284 399 Y C 1.956 177.756 175.900 -0.166 0.000 1.143 399 Y CA 1.590 59.503 58.100 -0.311 0.000 1.135 399 Y CB 0.021 38.256 38.460 -0.375 0.000 0.980 399 Y HN -0.152 nan 8.280 nan 0.000 0.499 400 R N 0.403 120.744 120.500 -0.265 0.000 2.189 400 R HA -0.127 4.213 4.340 0.000 0.000 0.223 400 R C 2.368 178.539 176.300 -0.216 0.000 1.092 400 R CA 1.181 57.107 56.100 -0.290 0.000 0.989 400 R CB -0.307 29.921 30.300 -0.120 0.000 0.876 400 R HN 0.594 nan 8.270 nan 0.000 0.457 401 E N 0.749 120.851 120.200 -0.164 0.000 2.072 401 E HA -0.159 4.191 4.350 0.000 0.000 0.191 401 E C 1.552 178.067 176.600 -0.140 0.000 0.985 401 E CA 1.484 57.810 56.400 -0.123 0.000 0.801 401 E CB 0.160 29.807 29.700 -0.089 0.000 0.750 401 E HN 0.153 nan 8.360 nan 0.000 0.452 402 V N 1.343 121.149 119.914 -0.179 0.000 2.488 402 V HA -0.099 4.021 4.120 0.000 0.000 0.246 402 V C 2.550 178.515 176.094 -0.214 0.000 1.046 402 V CA 1.508 63.709 62.300 -0.165 0.000 1.053 402 V CB -0.517 31.227 31.823 -0.131 0.000 0.679 402 V HN 0.427 nan 8.190 nan 0.000 0.458 403 A N -0.091 122.511 122.820 -0.363 0.000 2.067 403 A HA 0.076 4.396 4.320 0.000 0.000 0.219 403 A C 2.276 179.733 177.584 -0.210 0.000 1.158 403 A CA 1.662 53.481 52.037 -0.363 0.000 0.661 403 A CB -0.407 18.215 19.000 -0.630 0.000 0.801 403 A HN 0.536 nan 8.150 nan 0.000 0.452 404 A N -0.697 122.018 122.820 -0.175 0.000 1.984 404 A HA 0.114 4.434 4.320 0.000 0.000 0.214 404 A C 2.252 179.784 177.584 -0.086 0.000 1.173 404 A CA 1.344 53.313 52.037 -0.113 0.000 0.673 404 A CB -0.506 18.434 19.000 -0.099 0.000 0.830 404 A HN 0.412 nan 8.150 nan 0.000 0.453 405 S N 0.677 116.323 115.700 -0.089 0.000 2.419 405 S HA 0.093 4.563 4.470 0.000 0.000 0.233 405 S C 1.228 175.794 174.600 -0.056 0.000 1.016 405 S CA 0.568 58.729 58.200 -0.066 0.000 0.974 405 S CB -0.473 62.689 63.200 -0.063 0.000 0.786 405 S HN 0.741 nan 8.310 nan 0.000 0.492 406 A N 1.959 124.740 122.820 -0.065 0.000 2.473 406 A HA 0.438 4.758 4.320 0.000 0.000 0.282 406 A C 0.280 177.840 177.584 -0.039 0.000 1.163 406 A CA 0.032 52.039 52.037 -0.051 0.000 0.827 406 A CB -0.067 18.898 19.000 -0.058 0.000 1.098 406 A HN 0.443 nan 8.150 nan 0.000 0.515 412 L N -0.189 121.031 121.223 -0.005 0.000 2.170 412 L HA 0.639 4.979 4.340 0.000 0.000 0.247 412 L C -0.496 176.374 176.870 0.000 0.000 1.078 412 L CA -1.085 53.753 54.840 -0.003 0.000 0.936 412 L CB 1.353 43.410 42.059 -0.003 0.000 1.528 412 L HN 0.511 nan 8.230 nan 0.000 0.455 413 D N -0.150 120.252 120.400 0.003 0.000 2.272 413 D HA 0.309 4.949 4.640 0.000 0.000 0.247 413 D C 0.407 176.712 176.300 0.008 0.000 0.990 413 D CA -0.531 53.472 54.000 0.005 0.000 0.931 413 D CB 1.905 42.707 40.800 0.004 0.000 1.195 413 D HN 0.557 nan 8.370 nan 0.000 0.477 414 A N 0.762 123.586 122.820 0.007 0.000 2.234 414 A HA -0.162 4.158 4.320 0.000 0.000 0.216 414 A C 2.011 179.604 177.584 0.014 0.000 1.167 414 A CA 1.664 53.706 52.037 0.008 0.000 0.698 414 A CB -0.469 18.533 19.000 0.004 0.000 0.779 414 A HN 0.507 nan 8.150 nan 0.000 0.475 415 S N -0.506 115.204 115.700 0.017 0.000 2.355 415 S HA -0.103 4.367 4.470 0.000 0.000 0.216 415 S C 2.162 176.785 174.600 0.038 0.000 1.037 415 S CA 1.827 60.041 58.200 0.025 0.000 0.955 415 S CB -0.582 62.630 63.200 0.021 0.000 0.877 415 S HN 0.743 nan 8.310 nan 0.000 0.488 416 T N -0.355 114.217 114.554 0.031 0.000 2.995 416 T HA 0.136 4.486 4.350 0.000 0.000 0.269 416 T C 1.729 176.455 174.700 0.043 0.000 1.091 416 T CA 0.850 62.971 62.100 0.035 0.000 1.128 416 T CB -0.232 68.645 68.868 0.014 0.000 0.891 416 T HN 0.333 nan 8.240 nan 0.000 0.492 417 K N 0.691 121.112 120.400 0.034 0.000 2.155 417 K HA -0.095 4.225 4.320 0.000 0.000 0.203 417 K C 2.522 179.151 176.600 0.048 0.000 1.052 417 K CA 1.048 57.357 56.287 0.035 0.000 0.948 417 K CB -0.055 32.457 32.500 0.021 0.000 0.728 417 K HN 0.325 nan 8.250 nan 0.000 0.448 418 Q N 0.346 120.175 119.800 0.048 0.000 2.083 418 Q HA -0.102 4.238 4.340 0.000 0.000 0.198 418 Q C 1.689 177.744 176.000 0.092 0.000 0.969 418 Q CA 2.433 58.266 55.803 0.049 0.000 0.838 418 Q CB -0.370 28.387 28.738 0.032 0.000 0.900 418 Q HN 0.372 nan 8.270 nan 0.000 0.436 419 T N -1.233 113.402 114.554 0.135 0.000 2.962 419 T HA -0.104 4.246 4.350 0.000 0.000 0.270 419 T C 1.678 176.510 174.700 0.220 0.000 1.088 419 T CA 1.007 63.245 62.100 0.230 0.000 1.127 419 T CB -0.281 68.720 68.868 0.222 0.000 0.883 419 T HN 0.245 nan 8.240 nan 0.000 0.493 420 L N 0.907 122.238 121.223 0.180 0.000 2.072 420 L HA 0.120 4.460 4.340 0.000 0.000 0.205 420 L C 2.636 179.621 176.870 0.192 0.000 1.079 420 L CA 1.152 56.136 54.840 0.241 0.000 0.752 420 L CB -0.456 41.680 42.059 0.128 0.000 0.906 420 L HN 0.118 nan 8.230 nan 0.000 0.436 421 V N -0.233 119.739 119.914 0.097 0.000 2.307 421 V HA -0.258 3.862 4.120 0.000 0.000 0.245 421 V C 2.732 178.826 176.094 0.000 0.000 1.045 421 V CA 2.082 64.406 62.300 0.040 0.000 1.024 421 V CB -0.654 31.179 31.823 0.017 0.000 0.651 421 V HN 0.469 nan 8.190 nan 0.000 0.449 422 R N -0.019 120.496 120.500 0.026 0.000 2.115 422 R HA -0.101 4.239 4.340 0.000 0.000 0.230 422 R C 2.279 178.559 176.300 -0.033 0.000 1.111 422 R CA 1.446 57.554 56.100 0.012 0.000 0.976 422 R CB -0.555 29.784 30.300 0.064 0.000 0.870 422 R HN 0.563 nan 8.270 nan 0.000 0.445 423 G N 0.275 108.968 108.800 -0.179 0.000 2.402 423 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 423 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 423 G C 1.156 175.513 174.900 -0.904 0.000 1.162 423 G CA 0.462 45.043 45.100 -0.866 0.000 0.777 423 G HN 0.369 nan 8.290 nan 0.000 0.539 424 E N -0.150 119.748 120.200 -0.504 0.000 2.160 424 E HA -0.120 4.230 4.350 0.000 0.000 0.195 424 E C 2.722 179.249 176.600 -0.122 0.000 0.991 424 E CA 0.758 57.069 56.400 -0.150 0.000 0.810 424 E CB 0.028 29.745 29.700 0.027 0.000 0.742 424 E HN 0.303 nan 8.360 nan 0.000 0.466 425 R N -0.408 120.013 120.500 -0.131 0.000 2.100 425 R HA 0.040 4.380 4.340 0.000 0.000 0.220 425 R C 2.205 178.446 176.300 -0.099 0.000 1.091 425 R CA 0.523 56.561 56.100 -0.105 0.000 0.986 425 R CB 0.002 30.236 30.300 -0.111 0.000 0.888 425 R HN 0.108 nan 8.270 nan 0.000 0.444 426 L N -0.047 121.110 121.223 -0.109 0.000 2.156 426 L HA -0.109 4.231 4.340 0.000 0.000 0.208 426 L C 1.906 178.741 176.870 -0.058 0.000 1.095 426 L CA 1.257 56.058 54.840 -0.066 0.000 0.770 426 L CB -0.319 41.730 42.059 -0.016 0.000 0.914 426 L HN 0.276 nan 8.230 nan 0.000 0.439 427 T N -1.943 112.550 114.554 -0.102 0.000 2.812 427 T HA -0.234 4.116 4.350 0.000 0.000 0.264 427 T C 1.741 176.429 174.700 -0.019 0.000 1.042 427 T CA 1.069 63.140 62.100 -0.048 0.000 1.140 427 T CB -0.191 68.657 68.868 -0.035 0.000 0.870 427 T HN 0.151 nan 8.240 nan 0.000 0.445 428 Q N 0.925 120.708 119.800 -0.028 0.000 2.045 428 Q HA -0.085 4.255 4.340 0.000 0.000 0.206 428 Q C 2.099 178.099 176.000 -0.001 0.000 0.991 428 Q CA 1.315 57.111 55.803 -0.013 0.000 0.851 428 Q CB -0.785 27.941 28.738 -0.019 0.000 0.911 428 Q HN 0.409 nan 8.270 nan 0.000 0.418 429 L N -0.300 120.920 121.223 -0.006 0.000 2.353 429 L HA -0.018 4.322 4.340 0.000 0.000 0.220 429 L C 1.382 178.270 176.870 0.029 0.000 1.133 429 L CA 1.336 56.187 54.840 0.018 0.000 0.798 429 L CB -0.131 41.932 42.059 0.008 0.000 0.922 429 L HN 0.331 nan 8.230 nan 0.000 0.445 430 L N -0.946 120.288 121.223 0.019 0.000 2.599 430 L HA 0.025 4.365 4.340 0.000 0.000 0.230 430 L C 0.703 177.585 176.870 0.020 0.000 1.141 430 L CA 0.011 54.866 54.840 0.025 0.000 0.877 430 L CB -0.428 41.646 42.059 0.025 0.000 1.009 430 L HN 0.084 nan 8.230 nan 0.000 0.447 431 K N 1.388 121.796 120.400 0.014 0.000 2.249 431 K HA 0.301 4.621 4.320 0.000 0.000 0.280 431 K C -0.193 176.414 176.600 0.012 0.000 1.033 431 K CA 0.005 56.294 56.287 0.003 0.000 0.946 431 K CB 1.048 33.544 32.500 -0.006 0.000 1.005 431 K HN -0.024 nan 8.250 nan 0.000 0.469 432 Q N 2.528 122.330 119.800 0.003 0.000 2.353 432 Q HA 0.188 4.528 4.340 0.000 0.000 0.275 432 Q C -1.358 174.642 176.000 0.000 0.000 1.029 432 Q CA -0.816 54.995 55.803 0.013 0.000 0.848 432 Q CB 1.592 30.342 28.738 0.020 0.000 1.390 432 Q HN 0.589 nan 8.270 nan 0.000 0.401 433 N N 2.284 120.993 118.700 0.015 0.000 2.503 433 N HA 0.079 4.819 4.740 0.000 0.000 0.267 433 N C -0.402 175.111 175.510 0.005 0.000 1.214 433 N CA -0.117 52.943 53.050 0.017 0.000 0.959 433 N CB 0.982 39.498 38.487 0.049 0.000 1.142 433 N HN 0.570 nan 8.380 nan 0.000 0.455 434 Q N 0.212 119.995 119.800 -0.029 0.000 2.454 434 Q HA -0.040 4.300 4.340 0.000 0.000 0.247 434 Q C -0.314 175.648 176.000 -0.063 0.000 1.028 434 Q CA -0.059 55.638 55.803 -0.177 0.000 0.910 434 Q CB 0.251 28.770 28.738 -0.365 0.000 1.276 434 Q HN 0.591 nan 8.270 nan 0.000 0.489 435 Y N -0.398 119.910 120.300 0.012 0.000 4.469 435 Y HA -0.279 4.271 4.550 0.000 0.000 0.220 435 Y C 0.271 176.227 175.900 0.092 0.000 1.078 435 Y CA 0.979 59.089 58.100 0.018 0.000 1.881 435 Y CB -2.094 36.392 38.460 0.042 0.000 1.608 435 Y HN 0.383 nan 8.280 nan 0.000 0.634 436 S N -0.234 115.550 115.700 0.141 0.000 2.592 436 S HA 0.219 4.689 4.470 0.000 0.000 0.243 436 S C -2.320 172.324 174.600 0.073 0.000 1.160 436 S CA -0.798 57.471 58.200 0.114 0.000 1.145 436 S CB 0.464 63.720 63.200 0.092 0.000 0.909 436 S HN 0.130 nan 8.310 nan 0.000 0.487 437 P HA 0.095 nan 4.420 nan 0.000 0.265 437 P C -0.450 176.876 177.300 0.044 0.000 1.193 437 P CA 0.054 63.186 63.100 0.054 0.000 0.765 437 P CB 0.635 32.373 31.700 0.064 0.000 0.823 438 L N 1.931 123.178 121.223 0.041 0.000 2.360 438 L HA 0.591 4.932 4.340 0.000 0.000 0.271 438 L C 1.026 177.915 176.870 0.031 0.000 1.057 438 L CA -1.164 53.694 54.840 0.030 0.000 0.803 438 L CB 1.149 43.228 42.059 0.034 0.000 1.207 438 L HN 0.364 nan 8.230 nan 0.000 0.445 439 A N 1.015 123.840 122.820 0.007 0.000 2.332 439 A HA 0.309 4.629 4.320 0.000 0.000 0.258 439 A C 1.143 178.751 177.584 0.041 0.000 1.087 439 A CA -0.254 51.790 52.037 0.012 0.000 0.802 439 A CB 0.446 19.420 19.000 -0.042 0.000 1.042 439 A HN 0.863 nan 8.150 nan 0.000 0.489 440 T N 1.073 115.675 114.554 0.080 0.000 2.803 440 T HA -0.133 4.217 4.350 0.000 0.000 0.269 440 T C 1.465 176.184 174.700 0.033 0.000 1.052 440 T CA 2.288 64.429 62.100 0.068 0.000 1.136 440 T CB -0.299 68.624 68.868 0.091 0.000 0.864 440 T HN 0.810 nan 8.240 nan 0.000 0.467 441 E N 1.568 121.777 120.200 0.015 0.000 2.110 441 E HA -0.097 4.253 4.350 0.000 0.000 0.193 441 E C 1.455 178.033 176.600 -0.036 0.000 0.988 441 E CA 0.928 57.316 56.400 -0.020 0.000 0.804 441 E CB -0.158 29.518 29.700 -0.039 0.000 0.745 441 E HN 0.556 nan 8.360 nan 0.000 0.458 442 E N 0.051 120.236 120.200 -0.024 0.000 2.405 442 E HA 0.120 4.470 4.350 0.000 0.000 0.214 442 E C 0.681 177.289 176.600 0.014 0.000 1.101 442 E CA -0.079 56.306 56.400 -0.025 0.000 1.254 442 E CB 0.367 30.049 29.700 -0.031 0.000 1.240 442 E HN 0.247 nan 8.360 nan 0.000 0.439 443 Q N -0.929 118.887 119.800 0.026 0.000 2.577 443 Q HA 0.041 4.381 4.340 0.000 0.000 0.242 443 Q C 1.968 178.005 176.000 0.062 0.000 0.818 443 Q CA 0.156 55.989 55.803 0.049 0.000 0.962 443 Q CB 0.524 29.291 28.738 0.049 0.000 1.272 443 Q HN 0.128 nan 8.270 nan 0.000 0.593 444 V N 2.711 122.653 119.914 0.047 0.000 2.250 444 V HA -0.232 3.888 4.120 0.000 0.000 0.250 444 V C -0.929 175.225 176.094 0.100 0.000 1.060 444 V CA 2.499 64.835 62.300 0.060 0.000 1.030 444 V CB -1.475 30.364 31.823 0.026 0.000 0.643 444 V HN 0.286 nan 8.190 nan 0.000 0.445 445 P HA -0.023 nan 4.420 nan 0.000 0.220 445 P C 1.846 179.331 177.300 0.307 0.000 1.152 445 P CA 1.071 64.243 63.100 0.119 0.000 0.812 445 P CB -0.025 31.646 31.700 -0.048 0.000 0.792 446 L N -0.941 120.441 121.223 0.266 0.000 2.027 446 L HA -0.130 4.210 4.340 0.000 0.000 0.206 446 L C 2.314 179.305 176.870 0.203 0.000 1.074 446 L CA 1.234 56.253 54.840 0.298 0.000 0.745 446 L CB -1.011 41.184 42.059 0.228 0.000 0.898 446 L HN -0.099 nan 8.230 nan 0.000 0.433 447 I N -0.826 119.836 120.570 0.154 0.000 2.361 447 I HA -0.312 3.858 4.170 0.000 0.000 0.251 447 I C 2.513 178.691 176.117 0.102 0.000 1.133 447 I CA 1.594 62.955 61.300 0.101 0.000 1.413 447 I CB -1.074 36.975 38.000 0.082 0.000 1.073 447 I HN 0.276 nan 8.210 nan 0.000 0.424 448 Y N 2.185 122.511 120.300 0.045 0.000 2.128 448 Y HA -0.230 4.320 4.550 0.000 0.000 0.284 448 Y C 2.602 178.514 175.900 0.021 0.000 1.154 448 Y CA 2.172 60.288 58.100 0.027 0.000 1.149 448 Y CB -0.176 38.298 38.460 0.024 0.000 0.976 448 Y HN 0.107 nan 8.280 nan 0.000 0.505 449 A N -0.143 122.792 122.820 0.193 0.000 2.067 449 A HA 0.020 4.340 4.320 0.000 0.000 0.219 449 A C 2.281 179.859 177.584 -0.010 0.000 1.158 449 A CA 1.353 53.433 52.037 0.071 0.000 0.661 449 A CB -1.468 17.606 19.000 0.123 0.000 0.801 449 A HN 0.616 nan 8.150 nan 0.000 0.452 450 G N -0.336 108.449 108.800 -0.025 0.000 2.551 450 G HA2 -0.005 3.955 3.960 0.000 0.000 0.214 450 G HA3 -0.005 3.955 3.960 0.000 0.000 0.214 450 G C 1.465 176.293 174.900 -0.120 0.000 1.250 450 G CA 1.036 46.094 45.100 -0.070 0.000 0.825 450 G HN 0.228 nan 8.290 nan 0.000 0.549 451 V N 1.861 121.694 119.914 -0.135 0.000 2.250 451 V HA -0.285 3.835 4.120 0.000 0.000 0.253 451 V C 2.718 178.663 176.094 -0.249 0.000 1.065 451 V CA 2.252 64.430 62.300 -0.203 0.000 1.039 451 V CB -0.585 31.139 31.823 -0.166 0.000 0.647 451 V HN 0.319 nan 8.190 nan 0.000 0.446 452 N N 0.040 118.581 118.700 -0.265 0.000 2.244 452 N HA 0.011 4.751 4.740 0.000 0.000 0.183 452 N C 1.269 176.691 175.510 -0.147 0.000 1.016 452 N CA 1.387 54.298 53.050 -0.233 0.000 0.866 452 N CB -0.056 38.230 38.487 -0.335 0.000 0.980 452 N HN 0.694 nan 8.380 nan 0.000 0.430 453 G N 0.269 109.014 108.800 -0.092 0.000 2.871 453 G HA2 -0.188 3.772 3.960 0.000 0.000 0.262 453 G HA3 -0.188 3.772 3.960 0.000 0.000 0.262 453 G C -0.394 174.420 174.900 -0.144 0.000 1.126 453 G CA -0.262 44.767 45.100 -0.119 0.000 1.130 453 G HN 0.466 nan 8.290 nan 0.000 0.549 454 H N -0.382 118.600 119.070 -0.146 0.000 2.520 454 H HA 0.448 5.004 4.556 0.000 0.000 0.284 454 H C 2.127 177.319 175.328 -0.227 0.000 1.037 454 H CA 0.289 56.265 56.048 -0.119 0.000 1.168 454 H CB 0.434 30.178 29.762 -0.030 0.000 1.497 454 H HN 0.450 nan 8.280 nan 0.000 0.547 455 L N -0.498 120.618 121.223 -0.178 0.000 2.858 455 L HA 0.111 4.451 4.340 0.000 0.000 0.251 455 L C 0.914 177.676 176.870 -0.181 0.000 1.149 455 L CA 0.083 54.753 54.840 -0.283 0.000 0.955 455 L CB 0.630 42.487 42.059 -0.338 0.000 1.289 455 L HN 0.061 nan 8.230 nan 0.000 0.542 456 D N 1.041 121.359 120.400 -0.138 0.000 2.310 456 D HA -0.065 4.575 4.640 0.000 0.000 0.212 456 D C 1.572 177.823 176.300 -0.082 0.000 0.965 456 D CA 1.054 54.994 54.000 -0.100 0.000 0.879 456 D CB 0.203 40.948 40.800 -0.092 0.000 0.921 456 D HN 0.319 nan 8.370 nan 0.000 0.510 457 G N 0.052 108.798 108.800 -0.089 0.000 4.432 457 G HA2 0.442 4.402 3.960 0.000 0.000 0.294 457 G HA3 0.442 4.402 3.960 0.000 0.000 0.294 457 G C -0.001 174.861 174.900 -0.063 0.000 1.141 457 G CA -0.254 44.807 45.100 -0.066 0.000 0.895 457 G HN 0.061 nan 8.290 nan 0.000 0.548 458 I N 0.064 120.588 120.570 -0.078 0.000 2.582 458 I HA 0.279 4.449 4.170 0.000 0.000 0.292 458 I C -0.120 175.965 176.117 -0.053 0.000 1.066 458 I CA -0.938 60.322 61.300 -0.067 0.000 1.053 458 I CB 2.649 40.584 38.000 -0.108 0.000 1.241 458 I HN 0.029 nan 8.210 nan 0.000 0.421 459 E N 3.032 123.215 120.200 -0.027 0.000 2.467 459 E HA -0.084 4.266 4.350 0.000 0.000 0.264 459 E C 0.345 176.935 176.600 -0.016 0.000 1.020 459 E CA 0.058 56.449 56.400 -0.015 0.000 0.945 459 E CB 0.863 30.561 29.700 -0.003 0.000 0.942 459 E HN 0.369 nan 8.360 nan 0.000 0.449 460 L N 2.586 123.803 121.223 -0.010 0.000 2.591 460 L HA -0.038 4.302 4.340 0.000 0.000 0.228 460 L C 1.556 178.429 176.870 0.005 0.000 1.133 460 L CA 0.969 55.804 54.840 -0.008 0.000 0.880 460 L CB 0.052 42.109 42.059 -0.003 0.000 1.033 460 L HN 0.503 nan 8.230 nan 0.000 0.450 461 S N -2.599 113.108 115.700 0.010 0.000 2.511 461 S HA 0.125 4.595 4.470 0.000 0.000 0.214 461 S C 1.797 176.415 174.600 0.030 0.000 0.997 461 S CA -0.297 57.914 58.200 0.019 0.000 0.908 461 S CB -0.083 63.127 63.200 0.017 0.000 0.803 461 S HN 0.401 nan 8.310 nan 0.000 0.504 462 R N 0.284 120.803 120.500 0.032 0.000 2.334 462 R HA 0.372 4.712 4.340 0.000 0.000 0.216 462 R C 0.970 177.326 176.300 0.093 0.000 0.905 462 R CA -0.093 56.041 56.100 0.057 0.000 1.064 462 R CB -0.016 30.313 30.300 0.048 0.000 1.046 462 R HN 0.334 nan 8.270 nan 0.000 0.508 463 I N 0.028 120.635 120.570 0.063 0.000 2.353 463 I HA -0.085 4.085 4.170 0.000 0.000 0.248 463 I C 2.305 178.510 176.117 0.147 0.000 1.119 463 I CA 1.366 62.709 61.300 0.072 0.000 1.417 463 I CB -1.308 36.688 38.000 -0.007 0.000 1.078 463 I HN 0.195 nan 8.210 nan 0.000 0.421 464 G N 1.348 110.213 108.800 0.108 0.000 2.432 464 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 464 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 464 G C 1.456 176.441 174.900 0.142 0.000 1.135 464 G CA 0.906 46.073 45.100 0.111 0.000 0.767 464 G HN 0.641 nan 8.290 nan 0.000 0.550 465 E N -0.955 119.336 120.200 0.152 0.000 2.385 465 E HA 0.092 4.442 4.350 0.000 0.000 0.194 465 E C 1.894 178.633 176.600 0.231 0.000 1.013 465 E CA -0.219 56.275 56.400 0.156 0.000 0.866 465 E CB -0.342 29.426 29.700 0.114 0.000 0.832 465 E HN 0.338 nan 8.360 nan 0.000 0.500 466 F N 2.037 122.066 119.950 0.132 0.000 2.146 466 F HA -0.044 4.483 4.527 0.000 0.000 0.298 466 F C 2.087 178.012 175.800 0.207 0.000 1.096 466 F CA 1.823 59.948 58.000 0.208 0.000 1.275 466 F CB -0.030 39.030 39.000 0.100 0.000 1.008 466 F HN 0.041 nan 8.300 nan 0.000 0.480 467 E N 0.165 120.597 120.200 0.387 0.000 2.000 467 E HA -0.264 4.086 4.350 0.000 0.000 0.199 467 E C 2.374 179.071 176.600 0.161 0.000 1.011 467 E CA 2.221 58.788 56.400 0.278 0.000 0.836 467 E CB -0.358 29.471 29.700 0.216 0.000 0.778 467 E HN 0.469 nan 8.360 nan 0.000 0.462 468 S N -0.164 115.614 115.700 0.131 0.000 2.400 468 S HA -0.141 4.329 4.470 0.000 0.000 0.232 468 S C 2.126 176.775 174.600 0.082 0.000 1.025 468 S CA 1.558 59.811 58.200 0.088 0.000 0.993 468 S CB -0.281 62.967 63.200 0.080 0.000 0.808 468 S HN 0.137 nan 8.310 nan 0.000 0.478 469 S N 0.661 116.437 115.700 0.127 0.000 2.489 469 S HA 0.218 4.688 4.470 0.000 0.000 0.228 469 S C 1.200 175.866 174.600 0.111 0.000 0.995 469 S CA 0.336 58.650 58.200 0.190 0.000 0.934 469 S CB -0.427 62.952 63.200 0.298 0.000 0.771 469 S HN 0.535 nan 8.310 nan 0.000 0.522 470 F N 2.428 122.126 119.950 -0.420 0.000 2.234 470 F HA 0.199 4.726 4.527 0.000 0.000 0.296 470 F C 1.554 177.106 175.800 -0.413 0.000 1.089 470 F CA 0.522 57.952 58.000 -0.950 0.000 1.343 470 F CB -0.502 37.944 39.000 -0.924 0.000 1.040 470 F HN 0.099 nan 8.300 nan 0.000 0.498 471 L N -1.154 119.966 121.223 -0.171 0.000 2.376 471 L HA -0.110 4.230 4.340 0.000 0.000 0.219 471 L C 2.093 178.882 176.870 -0.134 0.000 1.133 471 L CA 0.882 55.613 54.840 -0.182 0.000 0.816 471 L CB -0.659 41.353 42.059 -0.079 0.000 0.933 471 L HN -0.030 nan 8.230 nan 0.000 0.449 472 S N -1.633 114.032 115.700 -0.059 0.000 2.524 472 S HA -0.047 4.423 4.470 0.000 0.000 0.216 472 S C 1.503 176.123 174.600 0.035 0.000 0.987 472 S CA 0.046 58.244 58.200 -0.004 0.000 0.909 472 S CB 0.047 63.278 63.200 0.051 0.000 0.781 472 S HN 0.448 nan 8.310 nan 0.000 0.521 473 Y N 2.019 122.241 120.300 -0.130 0.000 2.266 473 Y HA 0.261 4.811 4.550 0.000 0.000 0.294 473 Y C 1.562 177.384 175.900 -0.130 0.000 1.127 473 Y CA 0.865 58.921 58.100 -0.074 0.000 1.140 473 Y CB -0.467 37.990 38.460 -0.005 0.000 1.071 473 Y HN 0.071 nan 8.280 nan 0.000 0.525 474 L N 0.571 121.456 121.223 -0.565 0.000 2.201 474 L HA -0.123 4.217 4.340 0.000 0.000 0.212 474 L C 2.125 178.776 176.870 -0.365 0.000 1.105 474 L CA 1.184 55.663 54.840 -0.602 0.000 0.775 474 L CB -0.444 41.245 42.059 -0.616 0.000 0.913 474 L HN 0.111 nan 8.230 nan 0.000 0.440 475 K N -0.494 119.739 120.400 -0.278 0.000 2.555 475 K HA -0.011 4.309 4.320 0.000 0.000 0.193 475 K C 1.478 177.983 176.600 -0.159 0.000 1.032 475 K CA 0.580 56.755 56.287 -0.186 0.000 1.004 475 K CB 0.173 32.589 32.500 -0.141 0.000 0.804 475 K HN 0.219 nan 8.250 nan 0.000 0.496 476 S N -0.448 115.136 115.700 -0.194 0.000 2.554 476 S HA 0.117 4.587 4.470 0.000 0.000 0.227 476 S C 0.751 175.240 174.600 -0.184 0.000 1.050 476 S CA -0.119 57.993 58.200 -0.146 0.000 0.927 476 S CB 0.328 63.479 63.200 -0.082 0.000 0.859 476 S HN 0.286 nan 8.310 nan 0.000 0.494 477 N N 0.555 119.082 118.700 -0.289 0.000 2.782 477 N HA 0.160 4.900 4.740 0.000 0.000 0.244 477 N C 0.417 175.675 175.510 -0.419 0.000 1.029 477 N CA 0.318 53.158 53.050 -0.350 0.000 0.999 477 N CB 0.053 38.286 38.487 -0.422 0.000 1.634 477 N HN 0.222 nan 8.380 nan 0.000 0.478 478 H N 0.611 119.502 119.070 -0.300 0.000 2.524 478 H HA 0.242 4.798 4.556 0.000 0.000 0.299 478 H C 0.503 175.711 175.328 -0.200 0.000 1.074 478 H CA -0.092 55.822 56.048 -0.222 0.000 1.115 478 H CB 0.097 29.720 29.762 -0.231 0.000 1.522 478 H HN 0.289 nan 8.280 nan 0.000 0.543 479 N N 1.540 120.167 118.700 -0.123 0.000 2.430 479 N HA -0.143 4.597 4.740 0.000 0.000 0.186 479 N C 1.177 176.633 175.510 -0.089 0.000 1.032 479 N CA 0.638 53.618 53.050 -0.117 0.000 0.893 479 N CB 0.260 38.675 38.487 -0.121 0.000 0.957 479 N HN 0.551 nan 8.380 nan 0.000 0.442 480 E N -0.269 119.885 120.200 -0.076 0.000 2.333 480 E HA -0.127 4.223 4.350 0.000 0.000 0.198 480 E C 1.381 177.950 176.600 -0.053 0.000 1.007 480 E CA 0.373 56.738 56.400 -0.059 0.000 0.845 480 E CB 0.242 29.911 29.700 -0.052 0.000 0.766 480 E HN 0.329 nan 8.360 nan 0.000 0.507 481 L N -0.233 120.956 121.223 -0.057 0.000 2.253 481 L HA -0.001 4.339 4.340 0.000 0.000 0.205 481 L C 2.221 179.042 176.870 -0.083 0.000 1.078 481 L CA 0.836 55.636 54.840 -0.067 0.000 0.805 481 L CB -0.853 41.161 42.059 -0.075 0.000 0.963 481 L HN 0.194 nan 8.230 nan 0.000 0.459 482 L N -0.242 120.921 121.223 -0.100 0.000 2.042 482 L HA -0.227 4.113 4.340 0.000 0.000 0.210 482 L C 2.407 179.232 176.870 -0.075 0.000 1.076 482 L CA 1.669 56.447 54.840 -0.104 0.000 0.749 482 L CB -0.694 41.289 42.059 -0.126 0.000 0.893 482 L HN 0.256 nan 8.230 nan 0.000 0.432 483 T N -1.875 112.638 114.554 -0.067 0.000 2.951 483 T HA -0.132 4.218 4.350 0.000 0.000 0.268 483 T C 1.730 176.407 174.700 -0.039 0.000 1.073 483 T CA 0.643 62.713 62.100 -0.051 0.000 1.134 483 T CB -0.090 68.747 68.868 -0.051 0.000 0.884 483 T HN 0.193 nan 8.240 nan 0.000 0.479 484 E N 0.642 120.816 120.200 -0.043 0.000 2.482 484 E HA 0.088 4.438 4.350 0.000 0.000 0.196 484 E C 1.768 178.349 176.600 -0.032 0.000 1.047 484 E CA 0.235 56.614 56.400 -0.035 0.000 0.869 484 E CB -0.084 29.594 29.700 -0.038 0.000 0.836 484 E HN 0.546 nan 8.360 nan 0.000 0.520 485 I N -0.389 120.159 120.570 -0.037 0.000 2.494 485 I HA -0.127 4.043 4.170 0.000 0.000 0.250 485 I C 2.672 178.785 176.117 -0.008 0.000 1.112 485 I CA 0.364 61.648 61.300 -0.027 0.000 1.438 485 I CB -0.102 37.876 38.000 -0.037 0.000 1.111 485 I HN -0.045 nan 8.210 nan 0.000 0.431 486 R N 1.116 121.612 120.500 -0.006 0.000 2.081 486 R HA -0.171 4.169 4.340 0.000 0.000 0.235 486 R C 2.043 178.358 176.300 0.024 0.000 1.131 486 R CA 1.672 57.784 56.100 0.019 0.000 0.960 486 R CB 0.047 30.352 30.300 0.008 0.000 0.856 486 R HN 0.365 nan 8.270 nan 0.000 0.436 487 E N -0.421 119.782 120.200 0.005 0.000 2.086 487 E HA -0.114 4.236 4.350 0.000 0.000 0.190 487 E C 1.864 178.465 176.600 0.002 0.000 0.975 487 E CA 0.757 57.160 56.400 0.006 0.000 0.813 487 E CB 0.128 29.826 29.700 -0.004 0.000 0.768 487 E HN 0.189 nan 8.360 nan 0.000 0.457 488 K N -0.585 119.813 120.400 -0.005 0.000 2.021 488 K HA -0.076 4.244 4.320 0.000 0.000 0.205 488 K C 1.396 177.993 176.600 -0.006 0.000 1.047 488 K CA 1.302 57.585 56.287 -0.006 0.000 0.943 488 K CB 0.154 32.648 32.500 -0.011 0.000 0.725 488 K HN 0.251 nan 8.250 nan 0.000 0.439 489 G N 0.942 109.739 108.800 -0.005 0.000 2.268 489 G HA2 -0.301 3.659 3.960 0.000 0.000 0.240 489 G HA3 -0.301 3.659 3.960 0.000 0.000 0.240 489 G C 0.049 174.945 174.900 -0.006 0.000 1.010 489 G CA 0.539 45.636 45.100 -0.005 0.000 0.618 489 G HN 0.486 nan 8.290 nan 0.000 0.516 490 E N 0.009 120.206 120.200 -0.006 0.000 2.191 490 E HA 0.669 5.019 4.350 0.000 0.000 0.274 490 E C -0.433 176.163 176.600 -0.006 0.000 0.948 490 E CA -0.908 55.490 56.400 -0.003 0.000 0.802 490 E CB 0.869 30.567 29.700 -0.002 0.000 1.137 490 E HN 0.233 nan 8.360 nan 0.000 0.397 491 L N 4.064 125.286 121.223 -0.002 0.000 2.295 491 L HA 0.295 4.635 4.340 0.000 0.000 0.281 491 L C 0.124 176.994 176.870 0.001 0.000 1.018 491 L CA -0.523 54.314 54.840 -0.006 0.000 0.841 491 L CB 1.266 43.322 42.059 -0.005 0.000 1.218 491 L HN 0.530 nan 8.230 nan 0.000 0.424 492 S N 1.489 117.187 115.700 -0.004 0.000 2.686 492 S HA 0.321 4.791 4.470 0.000 0.000 0.270 492 S C 0.957 175.558 174.600 0.002 0.000 1.194 492 S CA -0.788 57.413 58.200 0.002 0.000 0.990 492 S CB 1.245 64.445 63.200 0.000 0.000 1.029 492 S HN 0.531 nan 8.310 nan 0.000 0.560 493 K N 0.267 120.671 120.400 0.007 0.000 2.280 493 K HA -0.112 4.208 4.320 0.000 0.000 0.202 493 K C 1.889 178.492 176.600 0.004 0.000 1.047 493 K CA 1.449 57.743 56.287 0.011 0.000 0.942 493 K CB -0.205 32.304 32.500 0.015 0.000 0.739 493 K HN 0.599 nan 8.250 nan 0.000 0.457 494 E N 0.569 120.767 120.200 -0.002 0.000 2.072 494 E HA -0.084 4.266 4.350 0.000 0.000 0.190 494 E C 1.677 178.265 176.600 -0.021 0.000 0.982 494 E CA 0.807 57.203 56.400 -0.007 0.000 0.803 494 E CB 0.091 29.788 29.700 -0.006 0.000 0.755 494 E HN 0.191 nan 8.360 nan 0.000 0.453 495 L N 0.112 121.318 121.223 -0.029 0.000 2.291 495 L HA -0.052 4.288 4.340 0.000 0.000 0.214 495 L C 2.038 178.859 176.870 -0.081 0.000 1.120 495 L CA 0.516 55.323 54.840 -0.055 0.000 0.799 495 L CB -0.237 41.791 42.059 -0.051 0.000 0.925 495 L HN 0.177 nan 8.230 nan 0.000 0.446 496 L N -0.200 120.996 121.223 -0.045 0.000 2.179 496 L HA -0.062 4.278 4.340 0.000 0.000 0.208 496 L C 2.757 179.610 176.870 -0.028 0.000 1.096 496 L CA 0.818 55.639 54.840 -0.032 0.000 0.779 496 L CB -0.399 41.679 42.059 0.032 0.000 0.922 496 L HN 0.196 nan 8.230 nan 0.000 0.443 497 A N -1.148 121.661 122.820 -0.018 0.000 2.016 497 A HA -0.098 4.222 4.320 0.000 0.000 0.217 497 A C 2.439 180.003 177.584 -0.033 0.000 1.162 497 A CA 1.543 53.576 52.037 -0.007 0.000 0.662 497 A CB -0.283 18.720 19.000 0.006 0.000 0.812 497 A HN 0.338 nan 8.150 nan 0.000 0.450 498 S N -0.587 115.075 115.700 -0.063 0.000 2.357 498 S HA -0.024 4.446 4.470 0.000 0.000 0.221 498 S C 1.470 175.962 174.600 -0.180 0.000 1.031 498 S CA 1.137 59.283 58.200 -0.090 0.000 0.982 498 S CB -0.257 62.896 63.200 -0.079 0.000 0.853 498 S HN 0.378 nan 8.310 nan 0.000 0.458 499 L N 1.071 122.145 121.223 -0.247 0.000 2.612 499 L HA 0.278 4.618 4.340 0.000 0.000 0.230 499 L C 1.728 178.291 176.870 -0.511 0.000 1.140 499 L CA 0.710 55.300 54.840 -0.416 0.000 0.896 499 L CB -0.070 41.668 42.059 -0.535 0.000 1.065 499 L HN 0.089 nan 8.230 nan 0.000 0.447 500 K N -2.152 118.114 120.400 -0.223 0.000 2.262 500 K HA 0.054 4.374 4.320 0.000 0.000 0.200 500 K C 2.049 178.677 176.600 0.047 0.000 1.058 500 K CA 0.568 56.858 56.287 0.005 0.000 0.974 500 K CB 0.358 32.946 32.500 0.146 0.000 0.910 500 K HN 0.123 nan 8.250 nan 0.000 0.484 501 S N 0.055 115.757 115.700 0.004 0.000 2.428 501 S HA 0.014 4.484 4.470 0.000 0.000 0.230 501 S C 1.597 176.217 174.600 0.033 0.000 1.014 501 S CA 1.070 59.293 58.200 0.039 0.000 0.957 501 S CB 0.059 63.280 63.200 0.035 0.000 0.784 501 S HN 0.449 nan 8.310 nan 0.000 0.499 502 A N -0.118 122.655 122.820 -0.077 0.000 2.063 502 A HA 0.144 4.464 4.320 0.000 0.000 0.211 502 A C 2.113 179.793 177.584 0.159 0.000 1.177 502 A CA 1.070 53.045 52.037 -0.102 0.000 0.759 502 A CB -0.750 17.799 19.000 -0.753 0.000 0.857 502 A HN 0.470 nan 8.150 nan 0.000 0.468 503 T N 0.258 114.888 114.554 0.127 0.000 2.821 503 T HA -0.101 4.249 4.350 0.000 0.000 0.267 503 T C 1.648 176.477 174.700 0.215 0.000 1.046 503 T CA 1.437 63.703 62.100 0.277 0.000 1.139 503 T CB -0.173 68.767 68.868 0.120 0.000 0.871 503 T HN 0.550 nan 8.240 nan 0.000 0.454 504 E N 0.885 121.202 120.200 0.195 0.000 2.150 504 E HA -0.089 4.261 4.350 0.000 0.000 0.193 504 E C 2.460 179.196 176.600 0.225 0.000 0.985 504 E CA 0.786 57.356 56.400 0.284 0.000 0.814 504 E CB -0.150 29.706 29.700 0.260 0.000 0.752 504 E HN 0.346 nan 8.360 nan 0.000 0.466 505 S N 0.452 116.278 115.700 0.209 0.000 2.348 505 S HA -0.175 4.295 4.470 0.000 0.000 0.221 505 S C 1.715 176.374 174.600 0.099 0.000 1.033 505 S CA 0.868 59.166 58.200 0.164 0.000 1.010 505 S CB -0.343 62.993 63.200 0.226 0.000 0.891 505 S HN 0.281 nan 8.310 nan 0.000 0.442 506 F N 2.131 122.041 119.950 -0.067 0.000 2.236 506 F HA -0.118 4.409 4.527 0.000 0.000 0.302 506 F C 1.976 177.711 175.800 -0.109 0.000 1.073 506 F CA 1.033 58.892 58.000 -0.234 0.000 1.336 506 F CB -0.457 38.420 39.000 -0.205 0.000 1.040 506 F HN 0.040 nan 8.300 nan 0.000 0.507 507 V N 0.343 120.309 119.914 0.087 0.000 2.233 507 V HA -0.253 3.867 4.120 0.000 0.000 0.247 507 V C 1.793 177.855 176.094 -0.054 0.000 1.050 507 V CA 1.587 63.935 62.300 0.079 0.000 1.010 507 V CB -1.527 30.383 31.823 0.145 0.000 0.637 507 V HN 0.356 nan 8.190 nan 0.000 0.444 508 A N 0.428 123.218 122.820 -0.049 0.000 2.899 508 A HA 0.429 4.749 4.320 0.000 0.000 0.287 508 A C 0.660 178.161 177.584 -0.138 0.000 1.715 508 A CA 0.792 52.787 52.037 -0.070 0.000 1.393 508 A CB -1.266 17.716 19.000 -0.031 0.000 1.070 508 A HN 0.720 nan 8.150 nan 0.000 0.587 509 T N 0.000 114.439 114.554 -0.192 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.951 62.100 -0.249 0.000 1.349 509 T CB 0.000 68.777 68.868 -0.152 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658