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 1sr0_1_A DATA FIRST_RESID 1 DATA SEQUENCE YKLIcYYTSW SQYREGDGSC FPDAIDPFLc THVIYSFANI SNNEIDTWEW DATA SEQUENCE NDVTLYDTLN TLKNRNPKLK TLLSVGGWNF GPERFSAIAS KTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKRHLT TLVKEMKAEF IREAQAGTEQ DATA SEQUENCE LLLSAAVSAG KIAIDRGYDI AQISRHLDFI SLLTYDFHGA WRQTVGHHSP DATA SEQUENCE LFAGNEDASS XRFSNADYAV SYMLRLGAPA NKLVMGIPTF GRSFTLASSK DATA SEQUENCE TDVGAPVSGP GVPGRFTKEK GILAYYEIcD FLHGATTHRF RDQQVPYATK DATA SEQUENCE GNQWVAYDDQ ESVKNKARYL KNRQLAGAMV WALDLDDFRG TFcGQNLTFP DATA SEQUENCE LTSAVKDVLA EV 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 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.896 175.900 -0.007 0.000 1.272 1 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 1 Y CB 0.000 38.460 38.460 0.000 0.000 1.050 2 K N 3.303 123.793 120.400 0.149 0.000 2.098 2 K HA 0.710 5.035 4.320 0.008 0.000 0.261 2 K C -1.053 175.576 176.600 0.048 0.000 0.987 2 K CA -0.859 55.459 56.287 0.052 0.000 0.916 2 K CB 1.697 34.110 32.500 -0.145 0.000 1.039 2 K HN 0.587 nan 8.250 nan 0.000 0.455 3 L N 4.508 125.770 121.223 0.065 0.000 2.485 3 L HA 0.329 4.674 4.340 0.008 0.000 0.260 3 L C -1.302 175.606 176.870 0.063 0.000 0.998 3 L CA -0.786 54.084 54.840 0.050 0.000 0.883 3 L CB 0.875 42.961 42.059 0.045 0.000 1.196 3 L HN 0.525 nan 8.230 nan 0.000 0.443 4 I N 2.879 123.469 120.570 0.034 0.000 2.325 4 I HA 0.249 4.424 4.170 0.008 0.000 0.291 4 I C -0.094 176.073 176.117 0.084 0.000 1.019 4 I CA -0.326 61.009 61.300 0.058 0.000 1.302 4 I CB 0.693 38.715 38.000 0.038 0.000 1.401 4 I HN 0.478 nan 8.210 nan 0.000 0.485 5 c N 6.756 125.373 118.600 0.028 0.000 2.345 5 c HA 0.502 5.077 4.570 0.008 0.000 0.323 5 c C 0.106 174.161 174.090 -0.058 0.000 1.276 5 c CA -0.870 55.472 56.329 0.022 0.000 1.543 5 c CB 0.286 42.784 42.510 -0.021 0.000 2.211 5 c HN 0.574 nan 8.230 nan 0.000 0.493 6 Y N 1.164 121.453 120.300 -0.019 0.000 2.301 6 Y HA 0.443 4.998 4.550 0.009 0.000 0.325 6 Y C -0.031 175.694 175.900 -0.290 0.000 1.203 6 Y CA 0.188 58.198 58.100 -0.149 0.000 1.255 6 Y CB 0.703 39.019 38.460 -0.241 0.000 1.232 6 Y HN 0.715 nan 8.280 nan 0.000 0.501 7 Y N 2.377 122.498 120.300 -0.298 0.000 2.373 7 Y HA 0.428 4.983 4.550 0.009 0.000 0.336 7 Y C -0.716 174.773 175.900 -0.686 0.000 0.979 7 Y CA -1.093 56.736 58.100 -0.452 0.000 1.080 7 Y CB 1.280 39.550 38.460 -0.316 0.000 1.190 7 Y HN 0.625 nan 8.280 nan 0.000 0.446 8 T N 1.504 115.053 114.554 -1.675 0.000 2.824 8 T HA 0.314 4.669 4.350 0.008 0.000 0.280 8 T C 0.789 174.439 174.700 -1.750 0.000 0.995 8 T CA -0.373 60.676 62.100 -1.752 0.000 1.009 8 T CB 1.709 69.164 68.868 -2.355 0.000 0.955 8 T HN 0.670 nan 8.240 nan 0.000 0.452 9 S N 1.313 116.344 115.700 -1.115 0.000 2.365 9 S HA -0.115 4.360 4.470 0.008 0.000 0.225 9 S C 1.518 175.910 174.600 -0.346 0.000 1.039 9 S CA 1.974 59.845 58.200 -0.548 0.000 1.033 9 S CB -0.611 62.550 63.200 -0.064 0.000 0.887 9 S HN 1.010 nan 8.310 nan 0.000 0.447 10 W N 2.537 123.726 121.300 -0.186 0.000 2.538 10 W HA -0.013 4.651 4.660 0.008 0.000 0.254 10 W C 1.930 178.410 176.519 -0.065 0.000 1.249 10 W CA 0.732 58.100 57.345 0.039 0.000 1.253 10 W CB -1.055 28.453 29.460 0.081 0.000 1.130 10 W HN 0.296 nan 8.180 nan 0.000 0.618 11 S N 1.065 116.395 115.700 -0.617 0.000 2.474 11 S HA -0.296 4.179 4.470 0.008 0.000 0.235 11 S C 1.810 176.185 174.600 -0.374 0.000 0.997 11 S CA 1.210 59.123 58.200 -0.478 0.000 0.949 11 S CB -0.877 61.903 63.200 -0.700 0.000 0.766 11 S HN 0.741 nan 8.310 nan 0.000 0.517 12 Q N 0.436 119.898 119.800 -0.563 0.000 2.050 12 Q HA -0.162 4.183 4.340 0.008 0.000 0.202 12 Q C 1.412 177.179 176.000 -0.389 0.000 0.980 12 Q CA 1.442 56.750 55.803 -0.825 0.000 0.840 12 Q CB -1.039 26.983 28.738 -1.194 0.000 0.898 12 Q HN 0.667 nan 8.270 nan 0.000 0.424 13 Y N 1.495 121.790 120.300 -0.009 0.000 2.651 13 Y HA 0.039 4.594 4.550 0.008 0.000 0.296 13 Y C 0.729 176.700 175.900 0.118 0.000 1.150 13 Y CA 0.110 58.278 58.100 0.114 0.000 1.348 13 Y CB -0.330 38.226 38.460 0.160 0.000 0.983 13 Y HN 0.010 nan 8.280 nan 0.000 0.555 14 R N 2.146 122.771 120.500 0.208 0.000 2.679 14 R HA 0.043 4.388 4.340 0.008 0.000 0.268 14 R C 0.687 177.121 176.300 0.222 0.000 1.044 14 R CA -0.056 56.176 56.100 0.220 0.000 1.105 14 R CB 0.339 30.777 30.300 0.230 0.000 0.989 14 R HN 0.410 nan 8.270 nan 0.000 0.447 15 E N 1.026 121.343 120.200 0.195 0.000 2.322 15 E HA 0.431 4.786 4.350 0.008 0.000 0.257 15 E C 0.524 177.250 176.600 0.211 0.000 1.155 15 E CA -0.486 56.010 56.400 0.159 0.000 0.936 15 E CB 0.638 30.378 29.700 0.068 0.000 1.130 15 E HN 0.628 nan 8.360 nan 0.000 0.465 16 G N 1.399 110.304 108.800 0.175 0.000 2.582 16 G HA2 -0.348 3.617 3.960 0.008 0.000 0.288 16 G HA3 -0.348 3.617 3.960 0.008 0.000 0.288 16 G C 0.300 175.415 174.900 0.358 0.000 1.247 16 G CA 0.387 45.638 45.100 0.252 0.000 0.972 16 G HN 0.740 nan 8.290 nan 0.000 0.557 17 D N 1.129 121.820 120.400 0.485 0.000 2.264 17 D HA -0.015 4.630 4.640 0.008 0.000 0.208 17 D C 2.502 178.963 176.300 0.267 0.000 0.966 17 D CA 1.550 55.722 54.000 0.285 0.000 0.864 17 D CB -0.854 40.059 40.800 0.188 0.000 0.933 17 D HN 0.726 nan 8.370 nan 0.000 0.499 18 G N 0.736 109.829 108.800 0.488 0.000 2.499 18 G HA2 -0.217 3.748 3.960 0.008 0.000 0.221 18 G HA3 -0.217 3.748 3.960 0.008 0.000 0.221 18 G C 0.940 176.066 174.900 0.377 0.000 1.109 18 G CA 0.502 45.869 45.100 0.445 0.000 0.749 18 G HN 0.278 nan 8.290 nan 0.000 0.568 19 S N -0.986 114.912 115.700 0.330 0.000 2.549 19 S HA 0.323 4.798 4.470 0.008 0.000 0.283 19 S C -0.258 174.461 174.600 0.198 0.000 1.320 19 S CA -0.299 58.029 58.200 0.214 0.000 1.058 19 S CB 0.452 63.822 63.200 0.283 0.000 0.882 19 S HN 0.484 nan 8.310 nan 0.000 0.498 20 C N 6.377 125.604 119.300 -0.122 0.000 2.701 20 C HA 0.805 5.270 4.460 0.008 0.000 0.336 20 C C -1.574 173.250 174.990 -0.278 0.000 1.123 20 C CA -0.790 58.084 59.018 -0.239 0.000 1.326 20 C CB -0.248 27.076 27.740 -0.693 0.000 1.833 20 C HN 0.860 nan 8.230 nan 0.000 0.473 21 F N 4.364 124.282 119.950 -0.053 0.000 2.593 21 F HA 0.524 5.056 4.527 0.008 0.000 0.320 21 F C -1.672 173.968 175.800 -0.267 0.000 1.060 21 F CA -1.961 55.998 58.000 -0.069 0.000 0.940 21 F CB 1.584 40.557 39.000 -0.046 0.000 1.268 21 F HN 0.307 nan 8.300 nan 0.000 0.475 22 P HA -0.186 nan 4.420 nan 0.000 0.218 22 P C 1.085 178.278 177.300 -0.178 0.000 1.146 22 P CA 1.474 64.295 63.100 -0.465 0.000 0.813 22 P CB 0.167 31.676 31.700 -0.318 0.000 0.778 23 D N -0.204 120.172 120.400 -0.040 0.000 2.220 23 D HA -0.200 4.445 4.640 0.008 0.000 0.198 23 D C 1.428 177.745 176.300 0.029 0.000 1.001 23 D CA 1.542 55.540 54.000 -0.003 0.000 0.875 23 D CB -0.476 40.334 40.800 0.016 0.000 0.921 23 D HN 0.096 nan 8.370 nan 0.000 0.454 24 A N -0.703 122.158 122.820 0.068 0.000 2.387 24 A HA 0.280 4.605 4.320 0.008 0.000 0.234 24 A C 0.686 178.413 177.584 0.238 0.000 1.253 24 A CA -0.386 51.747 52.037 0.160 0.000 0.894 24 A CB -0.044 19.094 19.000 0.230 0.000 0.963 24 A HN 0.229 nan 8.150 nan 0.000 0.508 25 I N 1.163 121.792 120.570 0.098 0.000 2.371 25 I HA 0.083 4.258 4.170 0.008 0.000 0.290 25 I C -0.297 175.811 176.117 -0.015 0.000 1.028 25 I CA -0.567 60.756 61.300 0.039 0.000 1.345 25 I CB 1.190 39.109 38.000 -0.134 0.000 1.407 25 I HN 0.130 nan 8.210 nan 0.000 0.501 26 D N 9.677 130.041 120.400 -0.060 0.000 2.348 26 D HA 0.087 4.732 4.640 0.008 0.000 0.259 26 D C -1.637 174.598 176.300 -0.109 0.000 1.296 26 D CA -1.869 52.118 54.000 -0.021 0.000 0.931 26 D CB 1.133 41.949 40.800 0.025 0.000 1.067 26 D HN 0.192 nan 8.370 nan 0.000 0.503 27 P HA -0.155 nan 4.420 nan 0.000 0.217 27 P C 0.664 177.688 177.300 -0.461 0.000 1.151 27 P CA 1.165 64.057 63.100 -0.346 0.000 0.849 27 P CB -0.018 31.389 31.700 -0.487 0.000 0.787 28 F N -2.534 117.379 119.950 -0.062 0.000 2.797 28 F HA 0.085 4.617 4.527 0.008 0.000 0.302 28 F C 1.906 177.667 175.800 -0.065 0.000 1.130 28 F CA -0.122 57.845 58.000 -0.055 0.000 1.387 28 F CB -0.742 38.238 39.000 -0.033 0.000 1.107 28 F HN -0.134 nan 8.300 nan 0.000 0.577 29 L N -0.219 121.014 121.223 0.016 0.000 1.961 29 L HA -0.046 4.299 4.340 0.008 0.000 0.209 29 L C 1.193 178.034 176.870 -0.049 0.000 1.075 29 L CA 1.300 56.113 54.840 -0.045 0.000 0.749 29 L CB -0.558 41.377 42.059 -0.208 0.000 0.890 29 L HN 0.065 nan 8.230 nan 0.000 0.433 30 c N -1.204 117.339 118.600 -0.095 0.000 2.365 30 c HA 0.456 5.031 4.570 0.008 0.000 0.374 30 c C 2.004 176.062 174.090 -0.054 0.000 1.318 30 c CA 0.134 56.429 56.329 -0.056 0.000 2.239 30 c CB 0.881 43.352 42.510 -0.066 0.000 2.144 30 c HN 0.661 nan 8.230 nan 0.000 0.581 31 T N -2.892 111.649 114.554 -0.022 0.000 2.990 31 T HA 0.195 4.550 4.350 0.008 0.000 0.250 31 T C -0.111 174.360 174.700 -0.381 0.000 1.041 31 T CA 0.575 62.606 62.100 -0.116 0.000 1.010 31 T CB -0.217 68.652 68.868 0.003 0.000 1.003 31 T HN 0.782 nan 8.240 nan 0.000 0.499 32 H N -0.169 118.878 119.070 -0.038 0.000 3.017 32 H HA 0.679 5.240 4.556 0.008 0.000 0.340 32 H C -1.475 173.834 175.328 -0.031 0.000 1.014 32 H CA -0.638 55.405 56.048 -0.008 0.000 1.341 32 H CB 2.000 31.782 29.762 0.035 0.000 1.739 32 H HN 0.046 nan 8.280 nan 0.000 0.506 33 V N 4.710 124.653 119.914 0.049 0.000 2.628 33 V HA 0.440 4.565 4.120 0.008 0.000 0.306 33 V C -0.159 175.962 176.094 0.045 0.000 1.045 33 V CA -0.628 61.676 62.300 0.007 0.000 0.905 33 V CB 1.942 33.748 31.823 -0.028 0.000 0.997 33 V HN 0.655 nan 8.190 nan 0.000 0.436 34 I N 3.993 124.533 120.570 -0.050 0.000 2.410 34 I HA 0.325 4.500 4.170 0.008 0.000 0.286 34 I C -1.005 175.156 176.117 0.075 0.000 1.009 34 I CA -0.708 60.563 61.300 -0.048 0.000 1.111 34 I CB 1.553 39.297 38.000 -0.427 0.000 1.262 34 I HN 0.583 nan 8.210 nan 0.000 0.443 35 Y N 5.371 125.745 120.300 0.123 0.000 2.442 35 Y HA 0.087 4.642 4.550 0.009 0.000 0.330 35 Y C 0.518 176.447 175.900 0.049 0.000 1.129 35 Y CA 0.420 58.633 58.100 0.187 0.000 1.365 35 Y CB 0.849 39.512 38.460 0.338 0.000 1.233 35 Y HN 0.463 nan 8.280 nan 0.000 0.529 36 S N 7.433 122.897 115.700 -0.393 0.000 2.404 36 S HA 0.462 4.937 4.470 0.008 0.000 0.309 36 S C -1.717 172.587 174.600 -0.494 0.000 1.076 36 S CA -0.370 57.469 58.200 -0.602 0.000 1.095 36 S CB -0.687 62.011 63.200 -0.836 0.000 0.972 36 S HN 0.542 nan 8.310 nan 0.000 0.484 37 F N -0.300 119.771 119.950 0.201 0.000 2.155 37 F HA -0.110 4.422 4.527 0.008 0.000 0.516 37 F C 0.222 176.214 175.800 0.319 0.000 1.283 37 F CA -0.435 57.655 58.000 0.150 0.000 1.655 37 F CB -1.677 37.286 39.000 -0.061 0.000 2.647 37 F HN 0.587 nan 8.300 nan 0.000 0.724 38 A N 1.950 125.112 122.820 0.570 0.000 2.311 38 A HA 0.833 5.158 4.320 0.008 0.000 0.334 38 A C 0.076 177.998 177.584 0.563 0.000 1.139 38 A CA -0.567 51.791 52.037 0.535 0.000 0.830 38 A CB 1.435 20.615 19.000 0.301 0.000 1.234 38 A HN 0.691 nan 8.150 nan 0.000 0.483 39 N N -0.690 118.278 118.700 0.448 0.000 2.476 39 N HA 0.695 5.440 4.740 0.008 0.000 0.287 39 N C -1.016 174.552 175.510 0.098 0.000 1.262 39 N CA -0.323 52.865 53.050 0.230 0.000 0.980 39 N CB 0.633 39.064 38.487 -0.095 0.000 1.163 39 N HN 0.513 nan 8.380 nan 0.000 0.592 40 I N 0.114 120.706 120.570 0.037 0.000 2.571 40 I HA 0.286 4.461 4.170 0.008 0.000 0.289 40 I C -1.040 175.026 176.117 -0.085 0.000 1.115 40 I CA -0.445 60.840 61.300 -0.025 0.000 1.045 40 I CB 1.952 39.877 38.000 -0.126 0.000 1.238 40 I HN 0.260 nan 8.210 nan 0.000 0.424 41 S N 3.780 119.444 115.700 -0.059 0.000 2.548 41 S HA 0.377 4.852 4.470 0.008 0.000 0.276 41 S C -0.167 174.412 174.600 -0.035 0.000 1.129 41 S CA -0.800 57.358 58.200 -0.071 0.000 0.931 41 S CB 1.681 64.841 63.200 -0.067 0.000 1.068 41 S HN 0.851 nan 8.310 nan 0.000 0.480 42 N N 2.988 121.661 118.700 -0.046 0.000 2.721 42 N HA -0.210 4.535 4.740 0.008 0.000 0.249 42 N C -0.337 175.175 175.510 0.004 0.000 1.072 42 N CA 0.350 53.388 53.050 -0.022 0.000 0.710 42 N CB -1.207 37.277 38.487 -0.005 0.000 0.993 42 N HN 0.736 nan 8.380 nan 0.000 0.547 43 N N -1.989 116.704 118.700 -0.011 0.000 2.778 43 N HA -0.186 4.559 4.740 0.008 0.000 0.249 43 N C -0.871 174.741 175.510 0.169 0.000 1.069 43 N CA 1.647 54.716 53.050 0.032 0.000 0.831 43 N CB -0.796 37.712 38.487 0.036 0.000 1.142 43 N HN 0.714 nan 8.380 nan 0.000 0.573 44 E N 0.454 120.729 120.200 0.125 0.000 2.207 44 E HA 0.438 4.793 4.350 0.008 0.000 0.270 44 E C 0.393 177.073 176.600 0.134 0.000 0.927 44 E CA -0.875 55.617 56.400 0.154 0.000 0.799 44 E CB 2.209 31.954 29.700 0.075 0.000 1.172 44 E HN 0.174 nan 8.360 nan 0.000 0.404 45 I N 1.504 122.132 120.570 0.098 0.000 2.813 45 I HA -0.021 4.154 4.170 0.008 0.000 0.287 45 I C -0.369 175.551 176.117 -0.327 0.000 1.196 45 I CA 0.923 62.187 61.300 -0.060 0.000 1.421 45 I CB 0.466 38.316 38.000 -0.250 0.000 1.365 45 I HN 0.586 nan 8.210 nan 0.000 0.591 46 D N 3.124 123.343 120.400 -0.302 0.000 2.692 46 D HA 0.285 4.930 4.640 0.008 0.000 0.290 46 D C -0.909 175.411 176.300 0.034 0.000 1.281 46 D CA -0.124 53.758 54.000 -0.196 0.000 0.804 46 D CB 1.481 42.266 40.800 -0.025 0.000 1.331 46 D HN 0.639 nan 8.370 nan 0.000 0.432 47 T N -1.612 113.073 114.554 0.218 0.000 2.726 47 T HA 0.142 4.497 4.350 0.008 0.000 0.294 47 T C 0.312 175.196 174.700 0.305 0.000 1.013 47 T CA -0.243 62.041 62.100 0.307 0.000 0.996 47 T CB 0.952 69.945 68.868 0.207 0.000 1.016 47 T HN 0.524 nan 8.240 nan 0.000 0.529 48 W N -0.139 121.283 121.300 0.205 0.000 4.019 48 W HA 0.257 4.922 4.660 0.008 0.000 0.212 48 W C 0.215 176.873 176.519 0.232 0.000 0.900 48 W CA 0.087 57.569 57.345 0.229 0.000 2.352 48 W CB 0.044 29.690 29.460 0.309 0.000 1.066 48 W HN 0.573 nan 8.180 nan 0.000 0.765 49 E N 1.679 122.245 120.200 0.611 0.000 2.374 49 E HA -0.022 4.333 4.350 0.008 0.000 0.260 49 E C 1.302 178.099 176.600 0.327 0.000 1.101 49 E CA -0.025 56.682 56.400 0.512 0.000 0.907 49 E CB 0.003 29.931 29.700 0.381 0.000 1.014 49 E HN 0.354 nan 8.360 nan 0.000 0.427 50 W N 2.586 124.035 121.300 0.248 0.000 2.611 50 W HA -0.055 4.610 4.660 0.008 0.000 0.251 50 W C 0.265 176.859 176.519 0.126 0.000 1.265 50 W CA 0.605 58.049 57.345 0.165 0.000 1.295 50 W CB -0.425 29.136 29.460 0.167 0.000 1.129 50 W HN 0.348 nan 8.180 nan 0.000 0.630 51 N N 0.274 118.610 118.700 -0.606 0.000 2.387 51 N HA -0.038 4.707 4.740 0.008 0.000 0.259 51 N C 0.317 175.571 175.510 -0.428 0.000 1.369 51 N CA -0.200 52.442 53.050 -0.680 0.000 0.867 51 N CB -0.743 36.945 38.487 -1.332 0.000 1.341 51 N HN -0.074 nan 8.380 nan 0.000 0.495 52 D N 0.960 121.139 120.400 -0.368 0.000 2.144 52 D HA -0.119 4.526 4.640 0.008 0.000 0.200 52 D C 2.191 177.901 176.300 -0.983 0.000 0.978 52 D CA 1.394 55.017 54.000 -0.628 0.000 0.833 52 D CB 0.199 40.551 40.800 -0.747 0.000 0.961 52 D HN 0.269 nan 8.370 nan 0.000 0.470 53 V N -0.063 119.410 119.914 -0.735 0.000 2.380 53 V HA -0.258 3.867 4.120 0.008 0.000 0.251 53 V C 2.204 178.167 176.094 -0.218 0.000 1.063 53 V CA 2.155 64.180 62.300 -0.459 0.000 1.055 53 V CB -1.414 30.329 31.823 -0.133 0.000 0.657 53 V HN 0.033 nan 8.190 nan 0.000 0.455 54 T N 1.165 115.587 114.554 -0.220 0.000 2.732 54 T HA 0.072 4.427 4.350 0.008 0.000 0.261 54 T C 1.922 176.566 174.700 -0.092 0.000 1.040 54 T CA 1.947 63.967 62.100 -0.133 0.000 1.145 54 T CB -0.390 68.381 68.868 -0.161 0.000 0.866 54 T HN 0.441 nan 8.240 nan 0.000 0.427 55 L N -0.127 121.037 121.223 -0.097 0.000 2.131 55 L HA -0.109 4.236 4.340 0.008 0.000 0.210 55 L C 2.530 179.420 176.870 0.034 0.000 1.092 55 L CA 1.228 56.090 54.840 0.036 0.000 0.759 55 L CB -0.702 41.474 42.059 0.195 0.000 0.903 55 L HN 0.256 nan 8.230 nan 0.000 0.435 56 Y N 0.649 120.790 120.300 -0.266 0.000 2.097 56 Y HA -0.306 4.249 4.550 0.008 0.000 0.282 56 Y C 2.550 178.276 175.900 -0.290 0.000 1.152 56 Y CA 1.455 59.334 58.100 -0.368 0.000 1.136 56 Y CB -0.865 37.389 38.460 -0.343 0.000 0.975 56 Y HN 0.287 nan 8.280 nan 0.000 0.498 57 D N -0.836 119.567 120.400 0.005 0.000 2.104 57 D HA -0.156 4.489 4.640 0.008 0.000 0.194 57 D C 1.909 178.160 176.300 -0.081 0.000 0.994 57 D CA 2.161 56.133 54.000 -0.048 0.000 0.830 57 D CB -0.148 40.638 40.800 -0.024 0.000 0.959 57 D HN 0.264 nan 8.370 nan 0.000 0.452 58 T N 0.049 114.566 114.554 -0.061 0.000 2.833 58 T HA -0.114 4.241 4.350 0.008 0.000 0.269 58 T C 1.722 176.367 174.700 -0.093 0.000 1.054 58 T CA 1.055 63.115 62.100 -0.066 0.000 1.135 58 T CB -0.205 68.644 68.868 -0.032 0.000 0.869 58 T HN 0.145 nan 8.240 nan 0.000 0.466 59 L N 1.291 122.450 121.223 -0.108 0.000 2.127 59 L HA 0.234 4.579 4.340 0.008 0.000 0.203 59 L C 1.691 178.449 176.870 -0.186 0.000 1.080 59 L CA 1.612 56.368 54.840 -0.140 0.000 0.768 59 L CB -0.781 41.228 42.059 -0.082 0.000 0.924 59 L HN 0.120 nan 8.230 nan 0.000 0.444 60 N N -0.924 117.631 118.700 -0.242 0.000 2.459 60 N HA -0.142 4.603 4.740 0.008 0.000 0.181 60 N C 1.282 176.679 175.510 -0.188 0.000 1.046 60 N CA 1.154 54.041 53.050 -0.271 0.000 0.904 60 N CB -0.048 38.209 38.487 -0.383 0.000 0.964 60 N HN 0.592 nan 8.380 nan 0.000 0.444 61 T N -0.751 113.713 114.554 -0.152 0.000 3.007 61 T HA 0.003 4.358 4.350 0.008 0.000 0.270 61 T C 1.692 176.316 174.700 -0.126 0.000 1.107 61 T CA 0.449 62.476 62.100 -0.122 0.000 1.118 61 T CB -0.271 68.540 68.868 -0.096 0.000 0.889 61 T HN 0.172 nan 8.240 nan 0.000 0.506 62 L N -0.034 121.101 121.223 -0.147 0.000 2.456 62 L HA 0.066 4.411 4.340 0.008 0.000 0.224 62 L C 2.446 179.197 176.870 -0.199 0.000 1.148 62 L CA 1.017 55.756 54.840 -0.168 0.000 0.825 62 L CB -0.370 41.579 42.059 -0.182 0.000 0.937 62 L HN 0.269 nan 8.230 nan 0.000 0.450 63 K N -0.597 119.699 120.400 -0.175 0.000 2.444 63 K HA 0.010 4.335 4.320 0.008 0.000 0.193 63 K C 1.356 177.875 176.600 -0.135 0.000 1.024 63 K CA -0.004 56.181 56.287 -0.170 0.000 1.077 63 K CB 0.133 32.542 32.500 -0.152 0.000 0.833 63 K HN 0.182 nan 8.250 nan 0.000 0.517 64 N N 0.856 119.484 118.700 -0.119 0.000 2.409 64 N HA -0.027 4.718 4.740 0.008 0.000 0.179 64 N C 1.208 176.678 175.510 -0.068 0.000 1.032 64 N CA 0.786 53.786 53.050 -0.083 0.000 0.898 64 N CB 0.277 38.723 38.487 -0.068 0.000 0.971 64 N HN 0.192 nan 8.380 nan 0.000 0.441 65 R N -0.542 119.897 120.500 -0.102 0.000 2.146 65 R HA 0.146 4.492 4.340 0.008 0.000 0.206 65 R C 0.035 176.265 176.300 -0.116 0.000 1.049 65 R CA 0.263 56.324 56.100 -0.067 0.000 1.029 65 R CB 0.054 30.308 30.300 -0.078 0.000 0.949 65 R HN 0.009 nan 8.270 nan 0.000 0.471 66 N N 1.322 119.829 118.700 -0.321 0.000 2.898 66 N HA 0.185 4.930 4.740 0.008 0.000 0.245 66 N C -2.235 173.166 175.510 -0.182 0.000 1.185 66 N CA -2.299 50.536 53.050 -0.358 0.000 0.879 66 N CB 1.317 39.287 38.487 -0.862 0.000 1.157 66 N HN -0.238 nan 8.380 nan 0.000 0.503 67 P HA -0.197 nan 4.420 nan 0.000 0.218 67 P C 0.781 178.038 177.300 -0.071 0.000 1.147 67 P CA 1.209 64.271 63.100 -0.064 0.000 0.827 67 P CB 0.409 32.093 31.700 -0.026 0.000 0.778 68 K N -1.525 118.836 120.400 -0.065 0.000 2.365 68 K HA 0.077 4.402 4.320 0.008 0.000 0.197 68 K C 0.941 177.464 176.600 -0.128 0.000 1.042 68 K CA -0.218 56.029 56.287 -0.068 0.000 0.987 68 K CB -0.782 31.704 32.500 -0.024 0.000 0.779 68 K HN 0.183 nan 8.250 nan 0.000 0.484 69 L N 2.180 123.304 121.223 -0.165 0.000 2.514 69 L HA -0.024 4.321 4.340 0.008 0.000 0.280 69 L C -0.103 176.653 176.870 -0.189 0.000 1.223 69 L CA 1.014 55.731 54.840 -0.204 0.000 0.864 69 L CB 0.286 42.210 42.059 -0.226 0.000 1.118 69 L HN 0.062 nan 8.230 nan 0.000 0.494 70 K N 2.947 123.208 120.400 -0.232 0.000 2.375 70 K HA 0.539 4.864 4.320 0.008 0.000 0.249 70 K C -0.546 176.023 176.600 -0.051 0.000 0.942 70 K CA -0.584 55.614 56.287 -0.147 0.000 0.806 70 K CB 2.339 34.715 32.500 -0.206 0.000 1.227 70 K HN 0.701 nan 8.250 nan 0.000 0.430 71 T N -0.463 114.119 114.554 0.047 0.000 2.876 71 T HA 0.734 5.089 4.350 0.008 0.000 0.289 71 T C -0.549 174.366 174.700 0.359 0.000 1.014 71 T CA -0.876 61.319 62.100 0.158 0.000 0.986 71 T CB 1.130 70.018 68.868 0.034 0.000 1.021 71 T HN 0.232 nan 8.240 nan 0.000 0.458 72 L N 1.722 123.165 121.223 0.366 0.000 2.371 72 L HA 0.722 5.067 4.340 0.008 0.000 0.262 72 L C -1.105 175.721 176.870 -0.073 0.000 1.006 72 L CA -0.984 53.968 54.840 0.186 0.000 0.818 72 L CB 2.063 44.196 42.059 0.123 0.000 1.354 72 L HN 0.697 nan 8.230 nan 0.000 0.415 73 L N 0.725 121.652 121.223 -0.494 0.000 2.296 73 L HA 0.651 4.996 4.340 0.008 0.000 0.286 73 L C 0.014 176.827 176.870 -0.095 0.000 1.023 73 L CA 0.391 54.886 54.840 -0.574 0.000 0.812 73 L CB 1.566 43.015 42.059 -1.017 0.000 1.223 73 L HN 0.588 nan 8.230 nan 0.000 0.421 74 S N 2.857 118.619 115.700 0.102 0.000 2.632 74 S HA 0.789 5.264 4.470 0.008 0.000 0.271 74 S C -0.729 174.057 174.600 0.310 0.000 1.260 74 S CA -0.520 57.831 58.200 0.252 0.000 1.010 74 S CB 1.012 64.449 63.200 0.395 0.000 0.965 74 S HN 0.478 nan 8.310 nan 0.000 0.534 75 V N 2.015 122.105 119.914 0.293 0.000 2.789 75 V HA 0.870 4.995 4.120 0.008 0.000 0.311 75 V C 0.810 176.933 176.094 0.049 0.000 1.073 75 V CA 0.132 62.542 62.300 0.184 0.000 0.921 75 V CB 0.707 32.658 31.823 0.213 0.000 1.009 75 V HN 1.206 nan 8.190 nan 0.000 0.426 76 G N 2.403 110.958 108.800 -0.408 0.000 2.826 76 G HA2 0.457 4.422 3.960 0.008 0.000 0.233 76 G HA3 0.457 4.422 3.960 0.008 0.000 0.233 76 G C 0.529 174.945 174.900 -0.806 0.000 1.296 76 G CA 0.156 44.770 45.100 -0.811 0.000 1.001 76 G HN 2.733 nan 8.290 nan 0.000 0.576 77 G N -2.629 105.495 108.800 -1.127 0.000 2.661 77 G HA2 0.062 4.028 3.960 0.008 0.000 0.685 77 G HA3 0.062 4.028 3.960 0.008 0.000 0.685 77 G C 0.592 174.942 174.900 -0.917 0.000 1.298 77 G CA 0.553 44.443 45.100 -2.016 0.000 0.855 77 G HN 1.339 nan 8.290 nan 0.000 0.560 78 W N -0.025 120.944 121.300 -0.552 0.000 2.476 78 W HA 0.007 4.672 4.660 0.010 0.000 0.281 78 W C 1.673 178.094 176.519 -0.163 0.000 1.230 78 W CA 1.235 58.414 57.345 -0.277 0.000 1.287 78 W CB -0.247 29.069 29.460 -0.239 0.000 1.108 78 W HN 0.508 nan 8.180 nan 0.000 0.567 79 N N -0.021 118.704 118.700 0.041 0.000 2.455 79 N HA 0.063 4.808 4.740 0.008 0.000 0.258 79 N C -1.157 174.512 175.510 0.266 0.000 1.158 79 N CA 0.109 53.221 53.050 0.103 0.000 0.893 79 N CB -0.638 37.877 38.487 0.047 0.000 1.173 79 N HN -0.161 nan 8.380 nan 0.000 0.503 80 F N 0.219 120.181 119.950 0.021 0.000 2.659 80 F HA 0.488 5.020 4.527 0.008 0.000 0.342 80 F C 0.461 176.228 175.800 -0.056 0.000 1.168 80 F CA -1.268 56.735 58.000 0.004 0.000 1.003 80 F CB 0.687 39.665 39.000 -0.037 0.000 1.267 80 F HN 0.034 nan 8.300 nan 0.000 0.463 81 G N 6.691 115.363 108.800 -0.213 0.000 2.150 81 G HA2 0.127 4.092 3.960 0.008 0.000 0.250 81 G HA3 0.127 4.092 3.960 0.008 0.000 0.250 81 G C -1.940 172.957 174.900 -0.005 0.000 1.179 81 G CA -0.782 44.249 45.100 -0.114 0.000 0.934 81 G HN 0.575 nan 8.290 nan 0.000 0.453 82 P HA -0.145 nan 4.420 nan 0.000 0.217 82 P C 1.450 178.900 177.300 0.251 0.000 1.148 82 P CA 1.228 64.550 63.100 0.371 0.000 0.828 82 P CB 0.316 32.253 31.700 0.395 0.000 0.783 83 E N -0.133 120.128 120.200 0.101 0.000 2.038 83 E HA -0.198 4.157 4.350 0.008 0.000 0.195 83 E C 1.976 178.544 176.600 -0.052 0.000 1.000 83 E CA 1.267 57.692 56.400 0.040 0.000 0.803 83 E CB -0.893 28.794 29.700 -0.020 0.000 0.750 83 E HN 0.277 nan 8.360 nan 0.000 0.448 84 R N -0.299 120.081 120.500 -0.200 0.000 2.133 84 R HA -0.179 4.166 4.340 0.008 0.000 0.247 84 R C 2.174 178.310 176.300 -0.273 0.000 1.151 84 R CA 1.435 57.329 56.100 -0.342 0.000 0.971 84 R CB -0.552 29.285 30.300 -0.772 0.000 0.866 84 R HN 0.138 nan 8.270 nan 0.000 0.447 85 F N 0.814 120.600 119.950 -0.274 0.000 2.060 85 F HA -0.192 4.339 4.527 0.008 0.000 0.295 85 F C 2.903 178.301 175.800 -0.670 0.000 1.120 85 F CA 1.633 59.193 58.000 -0.733 0.000 1.205 85 F CB -0.956 36.932 39.000 -1.853 0.000 0.986 85 F HN -0.043 nan 8.300 nan 0.000 0.470 86 S N -0.080 115.538 115.700 -0.137 0.000 2.368 86 S HA -0.318 4.157 4.470 0.008 0.000 0.226 86 S C 2.325 176.951 174.600 0.042 0.000 1.044 86 S CA 1.712 60.014 58.200 0.168 0.000 1.062 86 S CB -0.811 62.578 63.200 0.313 0.000 0.931 86 S HN 0.373 nan 8.310 nan 0.000 0.440 87 A N 1.899 124.702 122.820 -0.028 0.000 1.883 87 A HA -0.058 4.267 4.320 0.008 0.000 0.217 87 A C 2.201 179.730 177.584 -0.091 0.000 1.186 87 A CA 1.746 53.745 52.037 -0.063 0.000 0.624 87 A CB -0.817 18.128 19.000 -0.092 0.000 0.822 87 A HN 0.594 nan 8.150 nan 0.000 0.444 88 I N -0.206 120.279 120.570 -0.141 0.000 2.113 88 I HA -0.249 3.926 4.170 0.008 0.000 0.238 88 I C 2.813 178.876 176.117 -0.089 0.000 1.070 88 I CA 1.756 62.967 61.300 -0.149 0.000 1.332 88 I CB -1.500 36.336 38.000 -0.273 0.000 1.044 88 I HN 0.370 nan 8.210 nan 0.000 0.402 89 A N -0.183 122.594 122.820 -0.072 0.000 2.239 89 A HA -0.029 4.296 4.320 0.008 0.000 0.209 89 A C 2.293 179.852 177.584 -0.041 0.000 1.171 89 A CA 1.088 53.130 52.037 0.007 0.000 0.768 89 A CB -0.404 18.653 19.000 0.095 0.000 0.790 89 A HN 0.439 nan 8.150 nan 0.000 0.478 90 S N -0.468 115.155 115.700 -0.129 0.000 2.503 90 S HA 0.094 4.569 4.470 0.008 0.000 0.217 90 S C 0.583 175.030 174.600 -0.254 0.000 0.999 90 S CA 0.272 58.251 58.200 -0.369 0.000 0.914 90 S CB 0.169 63.236 63.200 -0.220 0.000 0.782 90 S HN 0.551 nan 8.310 nan 0.000 0.520 91 K N 2.565 122.886 120.400 -0.131 0.000 2.404 91 K HA 0.219 4.544 4.320 0.008 0.000 0.257 91 K C 1.084 177.653 176.600 -0.051 0.000 1.026 91 K CA -0.063 56.174 56.287 -0.084 0.000 0.951 91 K CB 1.093 33.557 32.500 -0.058 0.000 1.203 91 K HN 0.225 nan 8.250 nan 0.000 0.446 92 T N -0.495 114.032 114.554 -0.045 0.000 2.701 92 T HA -0.369 3.986 4.350 0.008 0.000 0.265 92 T C 1.815 176.517 174.700 0.003 0.000 1.032 92 T CA 1.608 63.700 62.100 -0.013 0.000 1.158 92 T CB -0.155 68.708 68.868 -0.008 0.000 0.854 92 T HN 0.411 nan 8.240 nan 0.000 0.463 93 Q N 1.388 121.186 119.800 -0.003 0.000 1.985 93 Q HA -0.081 4.264 4.340 0.008 0.000 0.207 93 Q C 2.808 178.819 176.000 0.018 0.000 0.996 93 Q CA 2.464 58.271 55.803 0.005 0.000 0.851 93 Q CB -0.914 27.823 28.738 -0.003 0.000 0.921 93 Q HN 0.734 nan 8.270 nan 0.000 0.418 94 S N 0.080 115.784 115.700 0.007 0.000 2.365 94 S HA -0.258 4.217 4.470 0.008 0.000 0.225 94 S C 1.835 176.473 174.600 0.065 0.000 1.039 94 S CA 1.556 59.764 58.200 0.015 0.000 1.033 94 S CB -0.431 62.752 63.200 -0.027 0.000 0.887 94 S HN 0.359 nan 8.310 nan 0.000 0.447 95 R N 1.332 121.867 120.500 0.058 0.000 2.088 95 R HA -0.098 4.247 4.340 0.008 0.000 0.232 95 R C 2.615 179.005 176.300 0.151 0.000 1.136 95 R CA 1.687 57.858 56.100 0.119 0.000 0.926 95 R CB -0.263 30.080 30.300 0.072 0.000 0.837 95 R HN 0.297 nan 8.270 nan 0.000 0.429 96 R N -0.355 120.195 120.500 0.083 0.000 2.081 96 R HA -0.122 4.223 4.340 0.008 0.000 0.235 96 R C 1.920 178.261 176.300 0.068 0.000 1.131 96 R CA 2.109 58.245 56.100 0.061 0.000 0.960 96 R CB -0.471 29.851 30.300 0.036 0.000 0.856 96 R HN 0.302 nan 8.270 nan 0.000 0.436 97 T N 1.205 115.806 114.554 0.077 0.000 2.624 97 T HA -0.222 4.133 4.350 0.008 0.000 0.268 97 T C 1.350 176.119 174.700 0.116 0.000 1.041 97 T CA 1.821 63.969 62.100 0.079 0.000 1.159 97 T CB -0.483 68.428 68.868 0.071 0.000 0.863 97 T HN 0.309 nan 8.240 nan 0.000 0.434 98 F N 1.852 121.804 119.950 0.003 0.000 2.046 98 F HA -0.103 4.429 4.527 0.008 0.000 0.297 98 F C 2.025 177.842 175.800 0.027 0.000 1.123 98 F CA 0.930 58.933 58.000 0.004 0.000 1.199 98 F CB -0.817 38.183 39.000 -0.001 0.000 0.972 98 F HN 0.126 nan 8.300 nan 0.000 0.474 99 I N 0.534 121.007 120.570 -0.161 0.000 2.069 99 I HA -0.381 3.794 4.170 0.008 0.000 0.237 99 I C 2.409 178.447 176.117 -0.133 0.000 1.053 99 I CA 1.739 62.892 61.300 -0.244 0.000 1.311 99 I CB -0.763 37.199 38.000 -0.063 0.000 1.030 99 I HN 0.070 nan 8.210 nan 0.000 0.398 100 K N 0.884 121.260 120.400 -0.040 0.000 2.286 100 K HA -0.154 4.171 4.320 0.008 0.000 0.203 100 K C 1.961 178.556 176.600 -0.007 0.000 1.045 100 K CA 1.628 57.913 56.287 -0.004 0.000 0.935 100 K CB -0.551 31.957 32.500 0.014 0.000 0.737 100 K HN 0.489 nan 8.250 nan 0.000 0.460 101 S N -0.309 115.368 115.700 -0.038 0.000 2.650 101 S HA 0.029 4.504 4.470 0.008 0.000 0.219 101 S C 1.653 176.237 174.600 -0.027 0.000 0.960 101 S CA 0.018 58.209 58.200 -0.015 0.000 0.925 101 S CB 0.012 63.214 63.200 0.003 0.000 0.775 101 S HN -0.036 nan 8.310 nan 0.000 0.525 102 V N 1.586 121.462 119.914 -0.064 0.000 2.521 102 V HA 0.163 4.288 4.120 0.008 0.000 0.239 102 V C -0.644 175.493 176.094 0.071 0.000 1.053 102 V CA 0.317 62.607 62.300 -0.016 0.000 1.073 102 V CB -1.169 30.617 31.823 -0.062 0.000 0.746 102 V HN 0.303 nan 8.190 nan 0.000 0.476 103 P HA -0.145 nan 4.420 nan 0.000 0.215 103 P C -1.348 175.949 177.300 -0.006 0.000 1.163 103 P CA 2.244 65.293 63.100 -0.083 0.000 0.894 103 P CB -1.248 30.396 31.700 -0.093 0.000 0.791 104 P HA -0.206 nan 4.420 nan 0.000 0.218 104 P C 1.573 178.925 177.300 0.087 0.000 1.148 104 P CA 1.293 64.416 63.100 0.038 0.000 0.822 104 P CB -0.462 31.268 31.700 0.050 0.000 0.784 105 F N 0.868 120.834 119.950 0.027 0.000 2.075 105 F HA -0.192 4.340 4.527 0.008 0.000 0.297 105 F C 2.127 178.013 175.800 0.142 0.000 1.113 105 F CA 1.467 59.533 58.000 0.109 0.000 1.218 105 F CB -0.974 38.100 39.000 0.124 0.000 0.984 105 F HN -0.286 nan 8.300 nan 0.000 0.472 106 L N 0.146 121.517 121.223 0.246 0.000 2.042 106 L HA -0.194 4.151 4.340 0.008 0.000 0.210 106 L C 2.430 179.336 176.870 0.060 0.000 1.076 106 L CA 1.565 56.514 54.840 0.182 0.000 0.749 106 L CB -1.237 40.879 42.059 0.094 0.000 0.893 106 L HN -0.001 nan 8.230 nan 0.000 0.432 107 R N -0.892 119.599 120.500 -0.015 0.000 2.075 107 R HA -0.067 4.278 4.340 0.008 0.000 0.232 107 R C 2.316 178.549 176.300 -0.112 0.000 1.126 107 R CA 1.611 57.674 56.100 -0.062 0.000 0.963 107 R CB -1.177 29.084 30.300 -0.065 0.000 0.858 107 R HN 0.312 nan 8.270 nan 0.000 0.435 108 T N 0.052 114.507 114.554 -0.164 0.000 2.684 108 T HA -0.121 4.234 4.350 0.008 0.000 0.267 108 T C 1.090 175.537 174.700 -0.421 0.000 1.036 108 T CA 1.417 63.326 62.100 -0.319 0.000 1.148 108 T CB -0.253 68.343 68.868 -0.454 0.000 0.863 108 T HN 0.336 nan 8.240 nan 0.000 0.436 109 H N -0.142 118.814 119.070 -0.190 0.000 2.524 109 H HA 0.344 4.905 4.556 0.009 0.000 0.280 109 H C 1.819 176.980 175.328 -0.280 0.000 1.018 109 H CA 0.527 56.459 56.048 -0.194 0.000 1.165 109 H CB 0.068 29.717 29.762 -0.188 0.000 1.411 109 H HN 0.574 nan 8.280 nan 0.000 0.569 110 G N 0.746 109.462 108.800 -0.140 0.000 2.157 110 G HA2 -0.268 3.697 3.960 0.008 0.000 0.248 110 G HA3 -0.268 3.697 3.960 0.008 0.000 0.248 110 G C -0.036 174.713 174.900 -0.252 0.000 0.979 110 G CA -0.225 44.745 45.100 -0.217 0.000 0.650 110 G HN 0.192 nan 8.290 nan 0.000 0.529 111 F N 1.085 120.972 119.950 -0.106 0.000 2.410 111 F HA 0.428 4.959 4.527 0.008 0.000 0.334 111 F C 1.370 177.129 175.800 -0.068 0.000 1.134 111 F CA -0.043 57.903 58.000 -0.089 0.000 1.227 111 F CB 0.755 39.705 39.000 -0.084 0.000 1.194 111 F HN -0.009 nan 8.300 nan 0.000 0.571 112 D N 0.742 121.253 120.400 0.185 0.000 2.398 112 D HA 0.258 4.903 4.640 0.008 0.000 0.210 112 D C 0.576 176.933 176.300 0.096 0.000 1.094 112 D CA 0.364 54.419 54.000 0.091 0.000 0.839 112 D CB 0.826 41.670 40.800 0.073 0.000 0.963 112 D HN 0.628 nan 8.370 nan 0.000 0.506 113 G N 0.736 109.612 108.800 0.127 0.000 2.466 113 G HA2 0.393 4.358 3.960 0.008 0.000 0.291 113 G HA3 0.393 4.358 3.960 0.008 0.000 0.291 113 G C -2.191 172.766 174.900 0.094 0.000 1.460 113 G CA -0.792 44.374 45.100 0.110 0.000 0.791 113 G HN 0.050 nan 8.290 nan 0.000 0.505 114 L N 0.176 121.514 121.223 0.190 0.000 2.331 114 L HA 0.874 5.219 4.340 0.008 0.000 0.275 114 L C -0.967 175.960 176.870 0.094 0.000 1.022 114 L CA -0.597 54.330 54.840 0.145 0.000 0.812 114 L CB 2.109 44.339 42.059 0.286 0.000 1.257 114 L HN 0.581 nan 8.230 nan 0.000 0.435 115 D N 3.141 123.586 120.400 0.074 0.000 2.505 115 D HA 0.399 5.044 4.640 0.008 0.000 0.249 115 D C -1.330 175.044 176.300 0.124 0.000 1.082 115 D CA -0.182 53.860 54.000 0.071 0.000 0.839 115 D CB 1.252 42.115 40.800 0.104 0.000 1.317 115 D HN 0.548 nan 8.370 nan 0.000 0.497 116 L N 3.212 124.485 121.223 0.083 0.000 2.259 116 L HA 0.580 4.925 4.340 0.008 0.000 0.288 116 L C 0.193 177.100 176.870 0.063 0.000 1.051 116 L CA -0.690 54.200 54.840 0.083 0.000 0.824 116 L CB 1.355 43.435 42.059 0.034 0.000 1.206 116 L HN 0.564 nan 8.230 nan 0.000 0.429 117 A N 3.946 126.818 122.820 0.087 0.000 3.257 117 A HA 0.120 4.445 4.320 0.008 0.000 0.308 117 A C -0.484 177.062 177.584 -0.064 0.000 1.175 117 A CA -0.491 51.549 52.037 0.005 0.000 1.018 117 A CB -0.172 18.870 19.000 0.070 0.000 1.088 117 A HN 0.730 nan 8.150 nan 0.000 0.567 118 W N 2.315 123.377 121.300 -0.396 0.000 2.724 118 W HA 0.246 4.911 4.660 0.008 0.000 0.347 118 W C -0.745 175.595 176.519 -0.298 0.000 1.338 118 W CA -0.680 56.327 57.345 -0.562 0.000 1.450 118 W CB -0.161 28.690 29.460 -1.014 0.000 1.534 118 W HN 0.359 nan 8.180 nan 0.000 0.508 119 L N 9.467 130.741 121.223 0.084 0.000 2.404 119 L HA 0.075 4.420 4.340 0.008 0.000 0.277 119 L C -0.389 176.322 176.870 -0.264 0.000 1.184 119 L CA -0.103 54.469 54.840 -0.447 0.000 1.013 119 L CB -1.029 40.603 42.059 -0.710 0.000 1.318 119 L HN 0.417 nan 8.230 nan 0.000 0.435 120 Y N 1.591 121.866 120.300 -0.043 0.000 2.805 120 Y HA -0.155 4.400 4.550 0.008 0.000 0.044 120 Y C -2.167 173.492 175.900 -0.402 0.000 2.040 120 Y CA -1.192 56.807 58.100 -0.167 0.000 1.187 120 Y CB -0.915 37.528 38.460 -0.030 0.000 1.859 120 Y HN 0.443 nan 8.280 nan 0.000 0.293 121 P HA 0.310 nan 4.420 nan 0.000 0.281 121 P C 0.471 177.462 177.300 -0.516 0.000 1.249 121 P CA 0.179 62.688 63.100 -0.985 0.000 0.810 121 P CB 1.482 32.238 31.700 -1.573 0.000 1.008 122 G N 1.130 109.743 108.800 -0.312 0.000 2.531 122 G HA2 0.130 4.095 3.960 0.008 0.000 0.281 122 G HA3 0.130 4.095 3.960 0.008 0.000 0.281 122 G C 0.949 175.721 174.900 -0.213 0.000 1.382 122 G CA -0.494 44.494 45.100 -0.187 0.000 1.045 122 G HN 0.489 nan 8.290 nan 0.000 0.533 123 R N -0.447 119.969 120.500 -0.140 0.000 2.075 123 R HA -0.005 4.340 4.340 0.008 0.000 0.232 123 R C 2.267 178.490 176.300 -0.128 0.000 1.126 123 R CA 0.884 56.908 56.100 -0.126 0.000 0.963 123 R CB -0.190 30.061 30.300 -0.081 0.000 0.858 123 R HN 0.453 nan 8.270 nan 0.000 0.435 124 R N 0.084 120.528 120.500 -0.093 0.000 2.323 124 R HA 0.005 4.350 4.340 0.008 0.000 0.198 124 R C 0.328 176.562 176.300 -0.109 0.000 0.988 124 R CA 0.398 56.454 56.100 -0.073 0.000 1.041 124 R CB 0.254 30.556 30.300 0.003 0.000 0.926 124 R HN 0.277 nan 8.270 nan 0.000 0.476 125 D N -0.238 120.066 120.400 -0.160 0.000 2.479 125 D HA -0.018 4.627 4.640 0.008 0.000 0.216 125 D C 1.374 177.507 176.300 -0.279 0.000 1.110 125 D CA 0.090 54.003 54.000 -0.144 0.000 0.841 125 D CB 0.418 41.142 40.800 -0.127 0.000 1.040 125 D HN 0.057 nan 8.370 nan 0.000 0.505 126 K N 1.826 122.039 120.400 -0.312 0.000 2.034 126 K HA -0.206 4.119 4.320 0.008 0.000 0.214 126 K C 2.086 178.563 176.600 -0.205 0.000 1.051 126 K CA 1.252 57.378 56.287 -0.269 0.000 0.931 126 K CB 0.093 32.462 32.500 -0.217 0.000 0.715 126 K HN -0.057 nan 8.250 nan 0.000 0.446 127 R N -0.509 119.820 120.500 -0.285 0.000 2.127 127 R HA -0.168 4.177 4.340 0.008 0.000 0.238 127 R C 1.841 178.095 176.300 -0.077 0.000 1.134 127 R CA 1.776 57.744 56.100 -0.219 0.000 0.975 127 R CB -0.122 29.998 30.300 -0.300 0.000 0.865 127 R HN 0.451 nan 8.270 nan 0.000 0.447 128 H N -0.060 119.035 119.070 0.041 0.000 2.451 128 H HA -0.026 4.535 4.556 0.008 0.000 0.294 128 H C 2.029 177.430 175.328 0.121 0.000 1.028 128 H CA 0.710 56.811 56.048 0.087 0.000 1.349 128 H CB -0.396 29.443 29.762 0.128 0.000 1.444 128 H HN 0.189 nan 8.280 nan 0.000 0.538 129 L N 0.892 122.235 121.223 0.199 0.000 2.012 129 L HA -0.194 4.151 4.340 0.008 0.000 0.210 129 L C 1.925 178.861 176.870 0.110 0.000 1.073 129 L CA 1.651 56.589 54.840 0.164 0.000 0.748 129 L CB -0.411 41.613 42.059 -0.059 0.000 0.891 129 L HN 0.195 nan 8.230 nan 0.000 0.431 130 T N -1.086 113.508 114.554 0.066 0.000 2.849 130 T HA -0.163 4.193 4.350 0.008 0.000 0.270 130 T C 1.650 176.393 174.700 0.072 0.000 1.066 130 T CA 1.695 63.837 62.100 0.070 0.000 1.130 130 T CB -0.311 68.589 68.868 0.053 0.000 0.864 130 T HN 0.484 nan 8.240 nan 0.000 0.481 131 T N 2.115 116.725 114.554 0.094 0.000 2.770 131 T HA 0.054 4.409 4.350 0.008 0.000 0.258 131 T C 1.884 176.611 174.700 0.045 0.000 1.039 131 T CA 0.552 62.696 62.100 0.073 0.000 1.143 131 T CB -0.512 68.424 68.868 0.114 0.000 0.866 131 T HN 0.122 nan 8.240 nan 0.000 0.428 132 L N 1.752 123.030 121.223 0.091 0.000 1.978 132 L HA -0.158 4.187 4.340 0.008 0.000 0.218 132 L C 2.466 179.341 176.870 0.009 0.000 1.075 132 L CA 1.736 56.628 54.840 0.087 0.000 0.767 132 L CB -0.950 41.202 42.059 0.154 0.000 0.890 132 L HN 0.091 nan 8.230 nan 0.000 0.434 133 V N -0.243 119.676 119.914 0.008 0.000 2.231 133 V HA -0.397 3.728 4.120 0.008 0.000 0.248 133 V C 2.586 178.573 176.094 -0.179 0.000 1.054 133 V CA 2.421 64.689 62.300 -0.054 0.000 1.015 133 V CB -0.798 31.036 31.823 0.020 0.000 0.638 133 V HN 0.487 nan 8.190 nan 0.000 0.444 134 K N -0.166 120.104 120.400 -0.217 0.000 2.015 134 K HA -0.276 4.049 4.320 0.008 0.000 0.216 134 K C 2.160 178.584 176.600 -0.294 0.000 1.052 134 K CA 2.378 58.403 56.287 -0.436 0.000 0.937 134 K CB -0.334 32.017 32.500 -0.248 0.000 0.719 134 K HN 0.636 nan 8.250 nan 0.000 0.446 135 E N 0.333 120.439 120.200 -0.158 0.000 2.047 135 E HA -0.200 4.155 4.350 0.008 0.000 0.191 135 E C 2.054 178.570 176.600 -0.139 0.000 0.987 135 E CA 1.076 57.411 56.400 -0.107 0.000 0.799 135 E CB -0.177 29.497 29.700 -0.043 0.000 0.752 135 E HN 0.175 nan 8.360 nan 0.000 0.449 136 M N 1.896 121.389 119.600 -0.177 0.000 2.088 136 M HA -0.245 4.240 4.480 0.008 0.000 0.256 136 M C 2.098 178.111 176.300 -0.479 0.000 1.071 136 M CA 1.816 56.929 55.300 -0.312 0.000 1.097 136 M CB -0.123 32.273 32.600 -0.339 0.000 1.315 136 M HN -0.162 nan 8.290 nan 0.000 0.406 137 K N -0.053 120.106 120.400 -0.403 0.000 2.097 137 K HA 0.072 4.397 4.320 0.008 0.000 0.205 137 K C 1.820 178.345 176.600 -0.125 0.000 1.050 137 K CA 1.697 57.798 56.287 -0.311 0.000 0.938 137 K CB -0.772 31.595 32.500 -0.222 0.000 0.718 137 K HN 0.419 nan 8.250 nan 0.000 0.442 138 A N 0.637 123.380 122.820 -0.128 0.000 1.908 138 A HA -0.217 4.108 4.320 0.008 0.000 0.218 138 A C 2.139 179.734 177.584 0.019 0.000 1.181 138 A CA 2.124 54.133 52.037 -0.045 0.000 0.627 138 A CB -0.728 18.238 19.000 -0.056 0.000 0.818 138 A HN 0.518 nan 8.150 nan 0.000 0.445 139 E N -0.757 119.459 120.200 0.027 0.000 2.072 139 E HA -0.143 4.212 4.350 0.008 0.000 0.191 139 E C 1.531 178.281 176.600 0.249 0.000 0.985 139 E CA 1.242 57.709 56.400 0.112 0.000 0.801 139 E CB -0.437 29.330 29.700 0.111 0.000 0.750 139 E HN 0.490 nan 8.360 nan 0.000 0.452 140 F N 0.415 120.355 119.950 -0.018 0.000 2.269 140 F HA -0.041 4.491 4.527 0.008 0.000 0.301 140 F C 2.095 177.897 175.800 0.003 0.000 1.082 140 F CA 0.631 58.628 58.000 -0.006 0.000 1.360 140 F CB -0.477 38.521 39.000 -0.002 0.000 1.041 140 F HN 0.128 nan 8.300 nan 0.000 0.512 141 I N -0.682 120.001 120.570 0.190 0.000 2.233 141 I HA -0.239 3.937 4.170 0.008 0.000 0.243 141 I C 2.538 178.700 176.117 0.075 0.000 1.093 141 I CA 0.920 62.285 61.300 0.108 0.000 1.380 141 I CB -0.369 37.678 38.000 0.079 0.000 1.067 141 I HN -0.057 nan 8.210 nan 0.000 0.413 142 R N 0.801 121.342 120.500 0.069 0.000 2.293 142 R HA -0.181 4.164 4.340 0.008 0.000 0.219 142 R C 2.120 178.443 176.300 0.039 0.000 1.091 142 R CA 1.050 57.178 56.100 0.047 0.000 1.004 142 R CB -0.020 30.305 30.300 0.042 0.000 0.865 142 R HN 0.313 nan 8.270 nan 0.000 0.469 143 E N -0.484 119.743 120.200 0.045 0.000 2.340 143 E HA -0.012 4.343 4.350 0.008 0.000 0.194 143 E C 1.399 178.000 176.600 0.002 0.000 0.996 143 E CA 0.619 57.028 56.400 0.015 0.000 0.869 143 E CB 0.242 29.940 29.700 -0.005 0.000 0.835 143 E HN 0.408 nan 8.360 nan 0.000 0.493 144 A N 1.053 123.881 122.820 0.014 0.000 2.070 144 A HA -0.197 4.128 4.320 0.008 0.000 0.220 144 A C 2.004 179.592 177.584 0.007 0.000 1.159 144 A CA 1.107 53.148 52.037 0.007 0.000 0.656 144 A CB -0.419 18.594 19.000 0.021 0.000 0.800 144 A HN 0.281 nan 8.150 nan 0.000 0.453 145 Q N -0.595 119.212 119.800 0.012 0.000 2.197 145 Q HA -0.177 4.168 4.340 0.008 0.000 0.207 145 Q C 2.133 178.135 176.000 0.003 0.000 0.984 145 Q CA 1.385 57.194 55.803 0.010 0.000 0.869 145 Q CB -0.428 28.317 28.738 0.013 0.000 0.906 145 Q HN 0.708 nan 8.270 nan 0.000 0.426 146 A N 0.083 122.902 122.820 -0.001 0.000 2.248 146 A HA 0.134 4.459 4.320 0.008 0.000 0.210 146 A C 1.394 178.973 177.584 -0.009 0.000 1.174 146 A CA 0.953 52.986 52.037 -0.006 0.000 0.750 146 A CB -0.554 18.439 19.000 -0.011 0.000 0.780 146 A HN 0.504 nan 8.150 nan 0.000 0.478 147 G N -1.132 107.663 108.800 -0.007 0.000 2.140 147 G HA2 -0.107 3.858 3.960 0.008 0.000 0.211 147 G HA3 -0.107 3.858 3.960 0.008 0.000 0.211 147 G C 0.238 175.131 174.900 -0.012 0.000 1.013 147 G CA 0.688 45.784 45.100 -0.008 0.000 0.705 147 G HN 1.640 nan 8.290 nan 0.000 0.508 148 T N -2.799 111.745 114.554 -0.016 0.000 2.916 148 T HA 0.704 5.059 4.350 0.008 0.000 0.292 148 T C -0.000 174.689 174.700 -0.018 0.000 1.055 148 T CA -0.093 61.993 62.100 -0.022 0.000 1.009 148 T CB 2.599 71.447 68.868 -0.033 0.000 1.118 148 T HN 0.448 nan 8.240 nan 0.000 0.497 149 E N 0.863 121.053 120.200 -0.017 0.000 2.534 149 E HA -0.051 4.304 4.350 0.008 0.000 0.264 149 E C 0.087 176.679 176.600 -0.012 0.000 0.981 149 E CA 0.131 56.527 56.400 -0.008 0.000 0.948 149 E CB 0.433 30.130 29.700 -0.006 0.000 0.934 149 E HN 0.615 nan 8.360 nan 0.000 0.459 150 Q N 3.590 123.395 119.800 0.009 0.000 2.297 150 Q HA 0.122 4.467 4.340 0.008 0.000 0.267 150 Q C -0.597 175.405 176.000 0.003 0.000 1.006 150 Q CA -0.383 55.428 55.803 0.014 0.000 0.896 150 Q CB 0.531 29.304 28.738 0.057 0.000 1.186 150 Q HN 0.526 nan 8.270 nan 0.000 0.392 151 L N 4.219 125.386 121.223 -0.093 0.000 2.485 151 L HA 0.028 4.373 4.340 0.008 0.000 0.275 151 L C 0.215 177.145 176.870 0.100 0.000 1.207 151 L CA 0.108 54.848 54.840 -0.168 0.000 0.855 151 L CB 0.115 41.727 42.059 -0.744 0.000 1.114 151 L HN 0.579 nan 8.230 nan 0.000 0.485 152 L N 3.167 124.478 121.223 0.147 0.000 2.439 152 L HA 0.444 4.789 4.340 0.008 0.000 0.259 152 L C -0.464 176.590 176.870 0.306 0.000 1.129 152 L CA -0.525 54.447 54.840 0.220 0.000 0.803 152 L CB 1.400 43.575 42.059 0.192 0.000 1.161 152 L HN 0.388 nan 8.230 nan 0.000 0.462 153 L N 1.615 122.925 121.223 0.145 0.000 2.516 153 L HA 0.542 4.887 4.340 0.008 0.000 0.267 153 L C -0.674 176.099 176.870 -0.163 0.000 0.957 153 L CA 0.079 54.935 54.840 0.028 0.000 0.860 153 L CB 1.762 43.779 42.059 -0.071 0.000 1.265 153 L HN 0.671 nan 8.230 nan 0.000 0.403 154 S N 3.199 118.756 115.700 -0.238 0.000 2.651 154 S HA 1.054 5.529 4.470 0.008 0.000 0.279 154 S C -0.890 173.587 174.600 -0.205 0.000 1.148 154 S CA -0.266 57.680 58.200 -0.424 0.000 0.837 154 S CB 1.828 64.420 63.200 -1.014 0.000 1.138 154 S HN 1.381 nan 8.310 nan 0.000 0.478 155 A N 0.155 122.879 122.820 -0.160 0.000 2.515 155 A HA 0.906 5.231 4.320 0.008 0.000 0.298 155 A C -0.599 176.985 177.584 -0.001 0.000 1.059 155 A CA -0.530 51.480 52.037 -0.044 0.000 0.698 155 A CB 1.343 20.320 19.000 -0.037 0.000 1.289 155 A HN 1.859 nan 8.150 nan 0.000 0.404 156 A N 1.523 124.364 122.820 0.036 0.000 2.249 156 A HA 0.633 4.958 4.320 0.008 0.000 0.314 156 A C -0.396 177.167 177.584 -0.034 0.000 1.290 156 A CA -0.333 51.730 52.037 0.044 0.000 0.893 156 A CB 0.136 19.174 19.000 0.063 0.000 1.165 156 A HN 1.135 nan 8.150 nan 0.000 0.530 157 V N 2.208 122.065 119.914 -0.096 0.000 2.732 157 V HA 0.540 4.665 4.120 0.008 0.000 0.310 157 V C 0.970 177.004 176.094 -0.101 0.000 1.053 157 V CA -0.367 61.766 62.300 -0.278 0.000 0.957 157 V CB 1.917 33.439 31.823 -0.501 0.000 1.018 157 V HN 1.027 nan 8.190 nan 0.000 0.452 158 S N 2.525 118.215 115.700 -0.016 0.000 2.593 158 S HA 0.472 4.947 4.470 0.008 0.000 0.269 158 S C 0.768 175.391 174.600 0.038 0.000 1.334 158 S CA 0.248 58.522 58.200 0.122 0.000 1.015 158 S CB 1.391 64.640 63.200 0.081 0.000 0.912 158 S HN 1.149 nan 8.310 nan 0.000 0.541 159 A N 2.653 125.531 122.820 0.096 0.000 2.465 159 A HA 0.513 4.838 4.320 0.008 0.000 0.255 159 A C 0.920 178.719 177.584 0.360 0.000 1.274 159 A CA 0.034 52.202 52.037 0.218 0.000 0.920 159 A CB -0.558 18.586 19.000 0.240 0.000 1.033 159 A HN 1.060 nan 8.150 nan 0.000 0.516 160 G N 0.029 108.976 108.800 0.245 0.000 2.333 160 G HA2 0.337 4.303 3.960 0.008 0.000 0.290 160 G HA3 0.337 4.303 3.960 0.008 0.000 0.290 160 G C 0.841 175.827 174.900 0.143 0.000 1.150 160 G CA -0.340 44.889 45.100 0.215 0.000 0.895 160 G HN 0.107 nan 8.290 nan 0.000 0.444 161 K N 2.685 123.152 120.400 0.112 0.000 2.032 161 K HA -0.205 4.120 4.320 0.008 0.000 0.218 161 K C 2.254 178.851 176.600 -0.005 0.000 1.054 161 K CA 1.521 57.810 56.287 0.004 0.000 0.941 161 K CB -0.341 31.960 32.500 -0.332 0.000 0.720 161 K HN 0.657 nan 8.250 nan 0.000 0.449 162 I N 0.693 121.229 120.570 -0.057 0.000 2.127 162 I HA -0.317 3.858 4.170 0.008 0.000 0.241 162 I C 2.569 178.674 176.117 -0.020 0.000 1.075 162 I CA 1.382 62.652 61.300 -0.050 0.000 1.334 162 I CB -0.560 37.409 38.000 -0.052 0.000 1.040 162 I HN 0.230 nan 8.210 nan 0.000 0.405 163 A N 1.287 124.095 122.820 -0.020 0.000 1.884 163 A HA -0.254 4.071 4.320 0.008 0.000 0.219 163 A C 2.308 179.943 177.584 0.085 0.000 1.197 163 A CA 2.048 54.063 52.037 -0.038 0.000 0.637 163 A CB -1.049 17.885 19.000 -0.110 0.000 0.827 163 A HN 0.419 nan 8.150 nan 0.000 0.450 164 I N -0.515 120.170 120.570 0.192 0.000 2.142 164 I HA -0.242 3.933 4.170 0.008 0.000 0.240 164 I C 2.014 178.246 176.117 0.191 0.000 1.078 164 I CA 1.664 63.157 61.300 0.322 0.000 1.343 164 I CB -0.532 37.605 38.000 0.230 0.000 1.046 164 I HN 0.263 nan 8.210 nan 0.000 0.405 165 D N 0.337 120.810 120.400 0.122 0.000 2.182 165 D HA -0.199 4.446 4.640 0.008 0.000 0.201 165 D C 2.196 178.489 176.300 -0.012 0.000 0.986 165 D CA 1.000 55.036 54.000 0.060 0.000 0.847 165 D CB -0.254 40.580 40.800 0.058 0.000 0.942 165 D HN 0.277 nan 8.370 nan 0.000 0.467 166 R N 0.028 120.500 120.500 -0.046 0.000 2.073 166 R HA -0.035 4.310 4.340 0.008 0.000 0.229 166 R C 1.493 177.682 176.300 -0.184 0.000 1.120 166 R CA 1.575 57.612 56.100 -0.105 0.000 0.967 166 R CB -0.020 30.212 30.300 -0.114 0.000 0.862 166 R HN 0.169 nan 8.270 nan 0.000 0.436 167 G N -0.914 107.712 108.800 -0.289 0.000 3.979 167 G HA2 0.169 4.134 3.960 0.008 0.000 0.287 167 G HA3 0.169 4.134 3.960 0.008 0.000 0.287 167 G C -1.017 173.490 174.900 -0.656 0.000 1.011 167 G CA -0.321 44.476 45.100 -0.505 0.000 0.818 167 G HN 0.100 nan 8.290 nan 0.000 0.470 168 Y N 0.498 120.718 120.300 -0.133 0.000 2.350 168 Y HA 0.405 4.960 4.550 0.008 0.000 0.338 168 Y C -0.667 175.175 175.900 -0.097 0.000 0.961 168 Y CA -1.913 56.115 58.100 -0.120 0.000 1.100 168 Y CB 2.180 40.582 38.460 -0.098 0.000 1.179 168 Y HN -0.021 nan 8.280 nan 0.000 0.454 169 D N 4.417 124.856 120.400 0.066 0.000 2.767 169 D HA 0.126 4.771 4.640 0.008 0.000 0.241 169 D C 1.203 177.514 176.300 0.018 0.000 1.187 169 D CA 0.112 54.121 54.000 0.016 0.000 0.999 169 D CB 0.103 40.902 40.800 -0.002 0.000 1.042 169 D HN 0.427 nan 8.370 nan 0.000 0.510 170 I N 1.606 122.179 120.570 0.006 0.000 2.091 170 I HA -0.381 3.794 4.170 0.008 0.000 0.240 170 I C 2.478 178.566 176.117 -0.048 0.000 1.046 170 I CA 1.386 62.664 61.300 -0.037 0.000 1.306 170 I CB -1.571 36.379 38.000 -0.083 0.000 1.018 170 I HN 0.288 nan 8.210 nan 0.000 0.404 171 A N 0.461 123.246 122.820 -0.059 0.000 1.909 171 A HA -0.313 4.012 4.320 0.008 0.000 0.221 171 A C 2.226 179.771 177.584 -0.065 0.000 1.223 171 A CA 2.375 54.375 52.037 -0.062 0.000 0.658 171 A CB -0.792 18.174 19.000 -0.056 0.000 0.831 171 A HN 0.605 nan 8.150 nan 0.000 0.462 172 Q N -0.438 119.336 119.800 -0.044 0.000 1.990 172 Q HA -0.129 4.216 4.340 0.008 0.000 0.200 172 Q C 2.300 178.270 176.000 -0.051 0.000 0.980 172 Q CA 1.695 57.472 55.803 -0.043 0.000 0.832 172 Q CB -0.642 28.110 28.738 0.023 0.000 0.897 172 Q HN 0.969 nan 8.270 nan 0.000 0.427 173 I N -1.140 119.437 120.570 0.012 0.000 2.850 173 I HA -0.107 4.068 4.170 0.008 0.000 0.266 173 I C 1.698 177.815 176.117 0.000 0.000 1.257 173 I CA 0.929 62.261 61.300 0.053 0.000 1.465 173 I CB -0.264 37.769 38.000 0.056 0.000 1.091 173 I HN -0.126 nan 8.210 nan 0.000 0.467 174 S N 1.964 117.634 115.700 -0.050 0.000 2.436 174 S HA -0.019 4.456 4.470 0.008 0.000 0.228 174 S C 1.897 176.452 174.600 -0.075 0.000 1.014 174 S CA 0.868 59.037 58.200 -0.051 0.000 0.950 174 S CB -0.289 62.878 63.200 -0.056 0.000 0.784 174 S HN 0.654 nan 8.310 nan 0.000 0.504 175 R N 0.327 120.726 120.500 -0.169 0.000 2.310 175 R HA 0.202 4.547 4.340 0.008 0.000 0.202 175 R C 0.893 177.026 176.300 -0.279 0.000 0.933 175 R CA 0.581 56.542 56.100 -0.231 0.000 1.054 175 R CB -0.261 29.858 30.300 -0.303 0.000 0.985 175 R HN 0.377 nan 8.270 nan 0.000 0.489 176 H N 0.667 119.731 119.070 -0.010 0.000 2.501 176 H HA 0.286 4.847 4.556 0.008 0.000 0.281 176 H C 0.638 175.951 175.328 -0.025 0.000 0.988 176 H CA -0.160 55.877 56.048 -0.018 0.000 1.232 176 H CB 0.328 30.072 29.762 -0.030 0.000 1.455 176 H HN -0.007 nan 8.280 nan 0.000 0.501 177 L N 2.535 123.813 121.223 0.092 0.000 2.453 177 L HA -0.024 4.321 4.340 0.008 0.000 0.272 177 L C 1.235 178.119 176.870 0.023 0.000 1.182 177 L CA -0.141 54.708 54.840 0.014 0.000 0.858 177 L CB 0.759 42.805 42.059 -0.020 0.000 1.120 177 L HN 0.102 nan 8.230 nan 0.000 0.474 178 D N 2.674 123.079 120.400 0.008 0.000 2.218 178 D HA -0.061 4.584 4.640 0.008 0.000 0.204 178 D C -0.059 176.370 176.300 0.215 0.000 0.976 178 D CA 1.441 55.497 54.000 0.094 0.000 0.853 178 D CB 0.140 41.014 40.800 0.124 0.000 0.939 178 D HN 0.404 nan 8.370 nan 0.000 0.481 179 F N -1.759 118.194 119.950 0.006 0.000 2.725 179 F HA 0.445 4.977 4.527 0.008 0.000 0.309 179 F C -1.915 173.886 175.800 0.001 0.000 1.132 179 F CA -1.334 56.660 58.000 -0.010 0.000 0.957 179 F CB 0.779 39.755 39.000 -0.041 0.000 1.286 179 F HN -0.372 nan 8.300 nan 0.000 0.440 180 I N 2.597 123.315 120.570 0.246 0.000 2.389 180 I HA 0.409 4.584 4.170 0.008 0.000 0.288 180 I C -0.639 175.602 176.117 0.206 0.000 0.999 180 I CA -0.833 60.543 61.300 0.125 0.000 1.129 180 I CB 2.044 40.071 38.000 0.045 0.000 1.288 180 I HN 0.623 nan 8.210 nan 0.000 0.444 181 S N 7.082 122.896 115.700 0.190 0.000 2.438 181 S HA 0.479 4.954 4.470 0.008 0.000 0.293 181 S C -0.192 174.471 174.600 0.105 0.000 1.141 181 S CA -0.594 57.734 58.200 0.213 0.000 1.080 181 S CB 0.947 64.332 63.200 0.308 0.000 0.978 181 S HN 0.396 nan 8.310 nan 0.000 0.479 182 L N 4.115 125.389 121.223 0.085 0.000 2.260 182 L HA 0.334 4.679 4.340 0.008 0.000 0.289 182 L C -0.278 176.553 176.870 -0.064 0.000 1.057 182 L CA -0.457 54.394 54.840 0.018 0.000 0.811 182 L CB 0.606 42.693 42.059 0.047 0.000 1.184 182 L HN 0.556 nan 8.230 nan 0.000 0.429 183 L N 4.423 125.548 121.223 -0.163 0.000 2.391 183 L HA 0.097 4.442 4.340 0.008 0.000 0.249 183 L C 0.715 177.178 176.870 -0.678 0.000 1.308 183 L CA -0.211 54.313 54.840 -0.527 0.000 1.209 183 L CB -0.656 41.198 42.059 -0.341 0.000 1.401 183 L HN 0.625 nan 8.230 nan 0.000 0.416 184 T N -1.467 112.769 114.554 -0.531 0.000 3.820 184 T HA 0.107 4.462 4.350 0.008 0.000 0.224 184 T C 0.250 174.700 174.700 -0.417 0.000 0.869 184 T CA -0.144 61.717 62.100 -0.399 0.000 0.932 184 T CB -0.880 67.961 68.868 -0.045 0.000 1.259 184 T HN 0.560 nan 8.240 nan 0.000 0.676 185 Y N -1.796 118.346 120.300 -0.263 0.000 2.926 185 Y HA 0.538 5.093 4.550 0.008 0.000 0.258 185 Y C -0.290 175.669 175.900 0.098 0.000 1.110 185 Y CA -2.004 56.083 58.100 -0.021 0.000 1.224 185 Y CB -0.446 38.113 38.460 0.166 0.000 1.276 185 Y HN 0.254 nan 8.280 nan 0.000 0.595 186 D N 0.415 120.775 120.400 -0.066 0.000 2.938 186 D HA 0.284 4.929 4.640 0.008 0.000 0.369 186 D C -0.564 175.904 176.300 0.280 0.000 1.301 186 D CA -0.334 53.801 54.000 0.225 0.000 0.805 186 D CB -0.398 40.555 40.800 0.256 0.000 1.161 186 D HN 0.122 nan 8.370 nan 0.000 0.474 187 F N 0.490 120.686 119.950 0.411 0.000 2.645 187 F HA 0.328 4.860 4.527 0.008 0.000 0.300 187 F C 0.747 176.749 175.800 0.337 0.000 1.115 187 F CA -0.143 58.054 58.000 0.328 0.000 1.355 187 F CB -0.263 38.875 39.000 0.230 0.000 1.026 187 F HN 0.253 nan 8.300 nan 0.000 0.536 188 H N -1.434 117.872 119.070 0.393 0.000 2.950 188 H HA 0.594 5.154 4.556 0.008 0.000 0.307 188 H C -0.810 174.537 175.328 0.031 0.000 1.403 188 H CA -0.175 55.895 56.048 0.035 0.000 1.145 188 H CB 1.684 31.516 29.762 0.117 0.000 1.844 188 H HN 0.113 nan 8.280 nan 0.000 0.515 189 G N -0.633 108.075 108.800 -0.152 0.000 2.466 189 G HA2 0.463 4.428 3.960 0.008 0.000 0.291 189 G HA3 0.463 4.428 3.960 0.008 0.000 0.291 189 G C 0.149 174.940 174.900 -0.183 0.000 1.460 189 G CA 0.019 45.078 45.100 -0.068 0.000 0.791 189 G HN 0.654 nan 8.290 nan 0.000 0.505 190 A N 0.017 122.910 122.820 0.120 0.000 2.131 190 A HA 0.019 4.344 4.320 0.008 0.000 0.220 190 A C 1.799 179.483 177.584 0.166 0.000 1.158 190 A CA 2.008 54.181 52.037 0.226 0.000 0.665 190 A CB -0.867 18.203 19.000 0.118 0.000 0.795 190 A HN 1.124 nan 8.150 nan 0.000 0.460 191 W N 0.010 121.384 121.300 0.123 0.000 2.747 191 W HA 0.037 4.702 4.660 0.008 0.000 0.244 191 W C -0.143 176.396 176.519 0.033 0.000 1.270 191 W CA 0.056 57.437 57.345 0.061 0.000 1.333 191 W CB -0.703 28.779 29.460 0.037 0.000 1.139 191 W HN 0.231 nan 8.180 nan 0.000 0.662 192 R N 2.093 122.439 120.500 -0.257 0.000 2.272 192 R HA 0.126 4.471 4.340 0.008 0.000 0.323 192 R C 1.187 177.427 176.300 -0.100 0.000 1.002 192 R CA -0.565 55.361 56.100 -0.290 0.000 0.900 192 R CB 0.975 30.828 30.300 -0.746 0.000 1.151 192 R HN -0.086 nan 8.270 nan 0.000 0.507 193 Q N 0.259 120.033 119.800 -0.043 0.000 2.540 193 Q HA -0.157 4.188 4.340 0.008 0.000 0.218 193 Q C 0.806 176.767 176.000 -0.066 0.000 0.990 193 Q CA 1.504 57.295 55.803 -0.020 0.000 0.908 193 Q CB -0.411 28.316 28.738 -0.019 0.000 0.937 193 Q HN 0.697 nan 8.270 nan 0.000 0.499 194 T N -4.531 109.952 114.554 -0.118 0.000 2.887 194 T HA 0.560 4.915 4.350 0.008 0.000 0.292 194 T C 0.101 174.579 174.700 -0.371 0.000 1.087 194 T CA -0.948 61.024 62.100 -0.213 0.000 1.009 194 T CB 1.879 70.632 68.868 -0.193 0.000 1.203 194 T HN -0.177 nan 8.240 nan 0.000 0.518 195 V N 0.957 120.480 119.914 -0.652 0.000 2.999 195 V HA 0.593 4.718 4.120 0.008 0.000 0.307 195 V C 1.062 176.581 176.094 -0.957 0.000 1.084 195 V CA 1.061 62.649 62.300 -1.187 0.000 1.155 195 V CB 0.782 31.725 31.823 -1.467 0.000 0.975 195 V HN 1.386 nan 8.190 nan 0.000 0.490 196 G N 1.916 109.970 108.800 -1.244 0.000 2.616 196 G HA2 0.344 4.309 3.960 0.008 0.000 0.294 196 G HA3 0.344 4.309 3.960 0.008 0.000 0.294 196 G C -1.671 173.022 174.900 -0.345 0.000 1.489 196 G CA -0.679 43.915 45.100 -0.844 0.000 0.836 196 G HN 0.683 nan 8.290 nan 0.000 0.527 197 H N 0.328 119.401 119.070 0.005 0.000 2.580 197 H HA 0.257 4.819 4.556 0.009 0.000 0.322 197 H C 1.309 176.739 175.328 0.170 0.000 1.082 197 H CA 0.242 56.426 56.048 0.228 0.000 1.383 197 H CB 1.403 31.363 29.762 0.331 0.000 1.450 197 H HN 0.809 nan 8.280 nan 0.000 0.505 198 H N 0.827 120.151 119.070 0.425 0.000 2.544 198 H HA 0.111 4.672 4.556 0.008 0.000 0.269 198 H C 0.312 175.893 175.328 0.422 0.000 0.970 198 H CA 0.467 56.770 56.048 0.426 0.000 1.219 198 H CB 0.457 30.431 29.762 0.354 0.000 1.421 198 H HN 0.282 nan 8.280 nan 0.000 0.555 199 S N 0.295 116.052 115.700 0.095 0.000 2.327 199 S HA 0.347 4.822 4.470 0.008 0.000 0.203 199 S C -3.009 171.611 174.600 0.034 0.000 1.326 199 S CA -1.364 56.905 58.200 0.115 0.000 1.248 199 S CB 0.796 64.030 63.200 0.058 0.000 1.199 199 S HN 0.142 nan 8.310 nan 0.000 0.422 200 P HA 0.202 nan 4.420 nan 0.000 0.275 200 P C 0.754 177.992 177.300 -0.104 0.000 1.228 200 P CA -0.601 62.433 63.100 -0.110 0.000 0.786 200 P CB 1.349 33.020 31.700 -0.049 0.000 0.927 201 L N 2.455 123.530 121.223 -0.248 0.000 2.049 201 L HA 0.201 4.546 4.340 0.008 0.000 0.203 201 L C 0.535 176.989 176.870 -0.693 0.000 1.074 201 L CA 1.825 56.349 54.840 -0.527 0.000 0.749 201 L CB -0.510 41.126 42.059 -0.705 0.000 0.907 201 L HN 0.196 nan 8.230 nan 0.000 0.439 202 F N -2.010 117.874 119.950 -0.109 0.000 2.557 202 F HA 0.550 5.082 4.527 0.008 0.000 0.336 202 F C 1.304 177.044 175.800 -0.101 0.000 1.058 202 F CA -0.454 57.493 58.000 -0.088 0.000 0.988 202 F CB 0.802 39.765 39.000 -0.061 0.000 1.275 202 F HN -0.134 nan 8.300 nan 0.000 0.488 203 A N 0.845 123.739 122.820 0.124 0.000 1.969 203 A HA 0.327 4.652 4.320 0.008 0.000 0.218 203 A C 1.212 178.762 177.584 -0.057 0.000 1.169 203 A CA 0.904 52.921 52.037 -0.033 0.000 0.635 203 A CB -1.380 17.582 19.000 -0.063 0.000 0.810 203 A HN 1.640 nan 8.150 nan 0.000 0.445 204 G N 0.561 109.359 108.800 -0.004 0.000 2.883 204 G HA2 -0.270 3.695 3.960 0.008 0.000 0.219 204 G HA3 -0.270 3.695 3.960 0.008 0.000 0.219 204 G C 0.205 175.059 174.900 -0.076 0.000 0.908 204 G CA 0.294 45.368 45.100 -0.044 0.000 0.978 204 G HN 1.108 nan 8.290 nan 0.000 0.365 205 N N 0.294 118.955 118.700 -0.064 0.000 2.573 205 N HA -0.210 4.535 4.740 0.008 0.000 0.196 205 N C 1.408 176.876 175.510 -0.070 0.000 1.064 205 N CA 1.554 54.564 53.050 -0.067 0.000 0.922 205 N CB 0.030 38.483 38.487 -0.056 0.000 0.947 205 N HN 0.765 nan 8.380 nan 0.000 0.450 206 E N 0.643 120.799 120.200 -0.075 0.000 2.057 206 E HA -0.061 4.294 4.350 0.008 0.000 0.190 206 E C 0.040 176.582 176.600 -0.097 0.000 0.969 206 E CA 0.485 56.840 56.400 -0.074 0.000 0.812 206 E CB -0.135 29.531 29.700 -0.056 0.000 0.777 206 E HN 0.405 nan 8.360 nan 0.000 0.455 207 D N -0.780 119.546 120.400 -0.125 0.000 2.283 207 D HA 0.300 4.945 4.640 0.008 0.000 0.248 207 D C -0.538 175.673 176.300 -0.148 0.000 1.072 207 D CA -0.039 53.879 54.000 -0.136 0.000 0.929 207 D CB 1.211 41.917 40.800 -0.157 0.000 1.182 207 D HN 0.042 nan 8.370 nan 0.000 0.433 208 A N 1.954 124.682 122.820 -0.153 0.000 2.543 208 A HA 0.198 4.523 4.320 0.008 0.000 0.279 208 A C 1.078 178.533 177.584 -0.215 0.000 0.917 208 A CA 0.018 51.946 52.037 -0.182 0.000 1.036 208 A CB -0.184 18.729 19.000 -0.146 0.000 1.227 208 A HN 0.389 nan 8.150 nan 0.000 0.503 209 S N -0.555 115.022 115.700 -0.205 0.000 2.387 209 S HA 0.186 4.662 4.470 0.008 0.000 0.221 209 S C 1.064 175.502 174.600 -0.270 0.000 1.041 209 S CA 1.373 59.455 58.200 -0.196 0.000 0.959 209 S CB 0.014 63.129 63.200 -0.142 0.000 0.843 209 S HN 0.455 nan 8.310 nan 0.000 0.488 213 F N 2.156 121.648 119.950 -0.764 0.000 2.481 213 F HA 0.135 4.667 4.527 0.008 0.000 0.297 213 F C 0.638 176.069 175.800 -0.615 0.000 1.095 213 F CA 0.896 58.243 58.000 -1.088 0.000 1.465 213 F CB -0.202 38.225 39.000 -0.955 0.000 1.098 213 F HN -0.094 nan 8.300 nan 0.000 0.585 214 S N 1.490 116.877 115.700 -0.522 0.000 3.965 214 S HA 0.290 4.765 4.470 0.008 0.000 0.195 214 S C -0.285 173.676 174.600 -1.067 0.000 1.449 214 S CA -0.611 57.035 58.200 -0.924 0.000 0.965 214 S CB -1.155 61.791 63.200 -0.424 0.000 1.459 214 S HN 0.567 nan 8.310 nan 0.000 0.476 215 N N -1.187 116.917 118.700 -0.992 0.000 2.745 215 N HA 0.529 5.274 4.740 0.008 0.000 0.256 215 N C 0.382 175.929 175.510 0.063 0.000 1.268 215 N CA -0.647 52.230 53.050 -0.287 0.000 0.887 215 N CB 0.427 38.830 38.487 -0.141 0.000 1.575 215 N HN -0.047 nan 8.380 nan 0.000 0.496 216 A N 0.258 123.209 122.820 0.219 0.000 1.892 216 A HA -0.290 4.035 4.320 0.008 0.000 0.218 216 A C 1.663 179.250 177.584 0.006 0.000 1.188 216 A CA 2.192 54.305 52.037 0.128 0.000 0.631 216 A CB -0.987 17.975 19.000 -0.063 0.000 0.822 216 A HN 0.888 nan 8.150 nan 0.000 0.447 217 D N -1.584 118.714 120.400 -0.170 0.000 2.106 217 D HA -0.236 4.409 4.640 0.008 0.000 0.191 217 D C 1.801 178.197 176.300 0.160 0.000 0.997 217 D CA 1.895 55.879 54.000 -0.028 0.000 0.834 217 D CB -0.386 40.421 40.800 0.012 0.000 0.956 217 D HN 0.544 nan 8.370 nan 0.000 0.448 218 Y N 1.103 121.434 120.300 0.052 0.000 2.207 218 Y HA -0.205 4.350 4.550 0.009 0.000 0.287 218 Y C 2.256 178.243 175.900 0.147 0.000 1.156 218 Y CA 2.171 60.323 58.100 0.086 0.000 1.182 218 Y CB -0.413 38.061 38.460 0.023 0.000 0.979 218 Y HN 0.066 nan 8.280 nan 0.000 0.521 219 A N -0.483 122.491 122.820 0.257 0.000 1.845 219 A HA -0.171 4.154 4.320 0.008 0.000 0.215 219 A C 2.299 179.982 177.584 0.166 0.000 1.195 219 A CA 2.297 54.492 52.037 0.264 0.000 0.616 219 A CB -1.391 17.807 19.000 0.330 0.000 0.832 219 A HN 0.303 nan 8.150 nan 0.000 0.443 220 V N 0.064 120.077 119.914 0.164 0.000 2.214 220 V HA -0.286 3.839 4.120 0.008 0.000 0.247 220 V C 2.676 178.821 176.094 0.085 0.000 1.051 220 V CA 2.506 64.893 62.300 0.144 0.000 1.003 220 V CB -1.345 30.621 31.823 0.239 0.000 0.635 220 V HN 0.544 nan 8.190 nan 0.000 0.447 221 S N -1.238 114.513 115.700 0.084 0.000 2.423 221 S HA -0.275 4.200 4.470 0.008 0.000 0.238 221 S C 1.790 176.378 174.600 -0.019 0.000 1.028 221 S CA 2.288 60.503 58.200 0.027 0.000 1.000 221 S CB -0.505 62.708 63.200 0.021 0.000 0.797 221 S HN 0.662 nan 8.310 nan 0.000 0.487 222 Y N 1.693 121.851 120.300 -0.237 0.000 2.153 222 Y HA 0.046 4.601 4.550 0.008 0.000 0.289 222 Y C 2.264 178.093 175.900 -0.118 0.000 1.119 222 Y CA 1.058 58.998 58.100 -0.266 0.000 1.116 222 Y CB -0.591 37.637 38.460 -0.387 0.000 1.004 222 Y HN 0.082 nan 8.280 nan 0.000 0.501 223 M N 0.016 119.557 119.600 -0.098 0.000 2.143 223 M HA -0.286 4.199 4.480 0.008 0.000 0.258 223 M C 2.236 178.454 176.300 -0.137 0.000 1.071 223 M CA 1.663 56.875 55.300 -0.147 0.000 1.088 223 M CB -1.398 31.176 32.600 -0.044 0.000 1.360 223 M HN 0.378 nan 8.290 nan 0.000 0.404 224 L N -1.274 119.902 121.223 -0.079 0.000 2.046 224 L HA -0.221 4.124 4.340 0.008 0.000 0.208 224 L C 2.833 179.648 176.870 -0.091 0.000 1.077 224 L CA 1.070 55.872 54.840 -0.063 0.000 0.747 224 L CB -0.739 41.303 42.059 -0.028 0.000 0.896 224 L HN 0.286 nan 8.230 nan 0.000 0.432 225 R N 0.361 120.792 120.500 -0.116 0.000 2.073 225 R HA -0.129 4.216 4.340 0.008 0.000 0.234 225 R C 2.095 178.297 176.300 -0.164 0.000 1.134 225 R CA 1.265 57.296 56.100 -0.114 0.000 0.952 225 R CB -0.437 29.809 30.300 -0.091 0.000 0.850 225 R HN 0.263 nan 8.270 nan 0.000 0.433 226 L N -0.674 120.383 121.223 -0.277 0.000 2.450 226 L HA -0.067 4.278 4.340 0.008 0.000 0.224 226 L C 1.576 178.354 176.870 -0.153 0.000 1.149 226 L CA 2.026 56.711 54.840 -0.257 0.000 0.816 226 L CB -0.922 40.927 42.059 -0.350 0.000 0.932 226 L HN 0.589 nan 8.230 nan 0.000 0.449 227 G N -1.953 106.773 108.800 -0.123 0.000 2.421 227 G HA2 -0.143 3.822 3.960 0.008 0.000 0.188 227 G HA3 -0.143 3.822 3.960 0.008 0.000 0.188 227 G C 0.558 175.415 174.900 -0.072 0.000 1.001 227 G CA -0.062 44.987 45.100 -0.085 0.000 0.693 227 G HN 0.560 nan 8.290 nan 0.000 0.479 228 A N 2.436 125.209 122.820 -0.078 0.000 2.520 228 A HA 0.598 4.923 4.320 0.008 0.000 0.245 228 A C -1.248 176.314 177.584 -0.037 0.000 1.072 228 A CA -0.071 51.933 52.037 -0.055 0.000 0.761 228 A CB 0.063 19.029 19.000 -0.056 0.000 1.004 228 A HN 0.296 nan 8.150 nan 0.000 0.499 229 P HA 0.312 nan 4.420 nan 0.000 0.279 229 P C 0.480 177.778 177.300 -0.003 0.000 1.252 229 P CA 0.036 63.127 63.100 -0.016 0.000 0.811 229 P CB 1.557 33.248 31.700 -0.015 0.000 1.035 230 A N 2.616 125.435 122.820 -0.001 0.000 2.067 230 A HA -0.138 4.187 4.320 0.008 0.000 0.219 230 A C 1.530 179.122 177.584 0.014 0.000 1.158 230 A CA 1.060 53.102 52.037 0.009 0.000 0.661 230 A CB -1.110 17.892 19.000 0.003 0.000 0.801 230 A HN 0.699 nan 8.150 nan 0.000 0.452 231 N N -0.552 118.152 118.700 0.006 0.000 2.461 231 N HA -0.020 4.725 4.740 0.008 0.000 0.188 231 N C 0.687 176.210 175.510 0.022 0.000 1.134 231 N CA 0.468 53.520 53.050 0.004 0.000 0.878 231 N CB 0.003 38.485 38.487 -0.008 0.000 0.972 231 N HN 0.464 nan 8.380 nan 0.000 0.456 232 K N 0.067 120.490 120.400 0.038 0.000 2.402 232 K HA 0.312 4.637 4.320 0.008 0.000 0.204 232 K C -0.138 176.522 176.600 0.100 0.000 1.056 232 K CA -0.165 56.170 56.287 0.080 0.000 1.069 232 K CB 1.101 33.642 32.500 0.068 0.000 0.888 232 K HN 0.087 nan 8.250 nan 0.000 0.546 233 L N 1.794 123.057 121.223 0.066 0.000 2.295 233 L HA 0.355 4.700 4.340 0.008 0.000 0.285 233 L C -0.738 176.176 176.870 0.073 0.000 1.035 233 L CA -0.813 54.071 54.840 0.075 0.000 0.806 233 L CB 1.785 43.877 42.059 0.056 0.000 1.214 233 L HN -0.258 nan 8.230 nan 0.000 0.426 234 V N 4.759 124.731 119.914 0.097 0.000 2.525 234 V HA 0.328 4.453 4.120 0.008 0.000 0.299 234 V C -0.087 176.079 176.094 0.121 0.000 1.034 234 V CA -0.472 61.879 62.300 0.086 0.000 0.863 234 V CB 1.915 33.771 31.823 0.055 0.000 0.999 234 V HN 0.748 nan 8.190 nan 0.000 0.423 235 M N 3.737 123.409 119.600 0.120 0.000 2.162 235 M HA 0.558 5.043 4.480 0.008 0.000 0.356 235 M C 0.710 177.106 176.300 0.159 0.000 1.303 235 M CA -0.041 55.338 55.300 0.130 0.000 1.116 235 M CB 0.762 33.445 32.600 0.138 0.000 1.632 235 M HN 0.824 nan 8.290 nan 0.000 0.469 236 G N 6.087 114.984 108.800 0.162 0.000 2.403 236 G HA2 0.502 4.467 3.960 0.008 0.000 0.259 236 G HA3 0.502 4.467 3.960 0.008 0.000 0.259 236 G C -0.715 174.387 174.900 0.337 0.000 1.244 236 G CA -0.566 44.705 45.100 0.285 0.000 0.849 236 G HN 0.792 nan 8.290 nan 0.000 0.532 237 I N 4.384 125.188 120.570 0.389 0.000 2.468 237 I HA 0.276 4.451 4.170 0.008 0.000 0.285 237 I C -2.233 174.018 176.117 0.224 0.000 1.039 237 I CA -2.143 59.318 61.300 0.268 0.000 1.074 237 I CB 3.097 41.187 38.000 0.151 0.000 1.228 237 I HN 0.343 nan 8.210 nan 0.000 0.436 238 P HA 0.152 nan 4.420 nan 0.000 0.282 238 P C -0.054 177.107 177.300 -0.232 0.000 1.249 238 P CA -0.174 62.728 63.100 -0.329 0.000 0.806 238 P CB 2.052 33.237 31.700 -0.857 0.000 0.984 239 T N 1.672 116.151 114.554 -0.124 0.000 3.182 239 T HA 0.349 4.705 4.350 0.008 0.000 0.277 239 T C -0.003 174.766 174.700 0.114 0.000 1.013 239 T CA -0.298 61.799 62.100 -0.006 0.000 0.900 239 T CB -0.732 68.181 68.868 0.076 0.000 1.098 239 T HN 0.396 nan 8.240 nan 0.000 0.543 240 F N -1.090 118.920 119.950 0.099 0.000 2.782 240 F HA 0.940 5.472 4.527 0.008 0.000 0.366 240 F C 0.245 176.123 175.800 0.130 0.000 1.171 240 F CA -1.450 56.590 58.000 0.067 0.000 1.064 240 F CB 0.578 39.585 39.000 0.011 0.000 1.449 240 F HN -0.097 nan 8.300 nan 0.000 0.520 241 G N -0.213 108.806 108.800 0.364 0.000 2.672 241 G HA2 0.607 4.572 3.960 0.008 0.000 0.292 241 G HA3 0.607 4.572 3.960 0.008 0.000 0.292 241 G C -1.870 173.167 174.900 0.229 0.000 1.375 241 G CA -1.268 44.011 45.100 0.298 0.000 0.890 241 G HN 0.510 nan 8.290 nan 0.000 0.476 242 R N 0.486 121.108 120.500 0.202 0.000 2.338 242 R HA 0.594 4.939 4.340 0.008 0.000 0.317 242 R C -0.203 176.152 176.300 0.090 0.000 0.968 242 R CA -0.469 55.667 56.100 0.060 0.000 0.849 242 R CB 1.493 31.869 30.300 0.126 0.000 1.128 242 R HN 0.726 nan 8.270 nan 0.000 0.448 243 S N 2.227 117.855 115.700 -0.119 0.000 2.532 243 S HA 0.798 5.273 4.470 0.008 0.000 0.301 243 S C -0.582 173.900 174.600 -0.197 0.000 1.083 243 S CA -0.627 57.558 58.200 -0.025 0.000 1.025 243 S CB 1.420 64.546 63.200 -0.124 0.000 1.056 243 S HN 0.333 nan 8.310 nan 0.000 0.494 244 F N -0.205 119.857 119.950 0.187 0.000 2.620 244 F HA 0.594 5.126 4.527 0.007 0.000 0.320 244 F C 0.308 176.199 175.800 0.151 0.000 1.069 244 F CA -0.777 57.315 58.000 0.153 0.000 0.953 244 F CB 2.210 41.296 39.000 0.144 0.000 1.322 244 F HN 0.517 nan 8.300 nan 0.000 0.479 245 T N 3.055 117.790 114.554 0.302 0.000 2.756 245 T HA 0.504 4.859 4.350 0.008 0.000 0.290 245 T C -0.220 174.597 174.700 0.194 0.000 0.985 245 T CA -0.546 61.681 62.100 0.212 0.000 0.955 245 T CB 0.373 69.325 68.868 0.139 0.000 0.930 245 T HN 0.285 nan 8.240 nan 0.000 0.451 246 L N 2.481 123.813 121.223 0.181 0.000 2.453 246 L HA 0.287 4.632 4.340 0.008 0.000 0.272 246 L C 1.364 178.282 176.870 0.080 0.000 1.182 246 L CA -0.401 54.509 54.840 0.118 0.000 0.858 246 L CB 0.405 42.544 42.059 0.134 0.000 1.120 246 L HN 0.759 nan 8.230 nan 0.000 0.474 247 A N 2.370 125.216 122.820 0.043 0.000 2.337 247 A HA 0.324 4.649 4.320 0.008 0.000 0.227 247 A C 0.585 178.185 177.584 0.026 0.000 1.259 247 A CA 0.608 52.666 52.037 0.035 0.000 0.870 247 A CB -0.096 18.916 19.000 0.021 0.000 0.927 247 A HN 0.741 nan 8.150 nan 0.000 0.497 248 S N -2.494 113.224 115.700 0.031 0.000 2.643 248 S HA 0.256 4.731 4.470 0.008 0.000 0.266 248 S C 0.465 175.092 174.600 0.044 0.000 1.130 248 S CA 0.383 58.600 58.200 0.028 0.000 0.817 248 S CB 0.157 63.364 63.200 0.010 0.000 1.107 248 S HN 0.401 nan 8.310 nan 0.000 0.471 249 S N 0.534 116.260 115.700 0.044 0.000 2.555 249 S HA 0.115 4.590 4.470 0.008 0.000 0.230 249 S C 0.718 175.356 174.600 0.064 0.000 0.978 249 S CA 0.187 58.423 58.200 0.060 0.000 0.934 249 S CB -0.393 62.838 63.200 0.051 0.000 0.766 249 S HN 0.585 nan 8.310 nan 0.000 0.533 250 K N 2.110 122.533 120.400 0.039 0.000 2.447 250 K HA 0.157 4.482 4.320 0.008 0.000 0.281 250 K C 0.439 177.064 176.600 0.041 0.000 1.031 250 K CA 0.411 56.713 56.287 0.025 0.000 1.019 250 K CB 0.753 33.245 32.500 -0.013 0.000 0.918 250 K HN 0.085 nan 8.250 nan 0.000 0.476 251 T N 1.771 116.376 114.554 0.086 0.000 2.964 251 T HA -0.007 4.348 4.350 0.008 0.000 0.249 251 T C -0.292 174.511 174.700 0.172 0.000 1.000 251 T CA -0.023 62.193 62.100 0.193 0.000 0.992 251 T CB 0.204 69.262 68.868 0.316 0.000 1.087 251 T HN 0.703 nan 8.240 nan 0.000 0.489 252 D N 1.367 121.818 120.400 0.084 0.000 2.352 252 D HA 0.237 4.882 4.640 0.008 0.000 0.238 252 D C 0.045 176.323 176.300 -0.037 0.000 1.286 252 D CA -0.621 53.418 54.000 0.065 0.000 0.923 252 D CB 0.223 41.045 40.800 0.036 0.000 1.146 252 D HN -0.052 nan 8.370 nan 0.000 0.471 253 V N 0.562 120.471 119.914 -0.007 0.000 2.681 253 V HA 0.244 4.369 4.120 0.008 0.000 0.306 253 V C 1.751 177.749 176.094 -0.160 0.000 1.077 253 V CA 1.227 63.474 62.300 -0.087 0.000 1.224 253 V CB -0.369 31.430 31.823 -0.040 0.000 0.879 253 V HN 1.029 nan 8.190 nan 0.000 0.494 254 G N 2.900 111.548 108.800 -0.254 0.000 2.176 254 G HA2 -0.076 3.889 3.960 0.008 0.000 0.253 254 G HA3 -0.076 3.889 3.960 0.008 0.000 0.253 254 G C 0.415 175.183 174.900 -0.220 0.000 0.979 254 G CA 0.143 45.111 45.100 -0.221 0.000 0.641 254 G HN 1.780 nan 8.290 nan 0.000 0.530 255 A N 1.567 124.230 122.820 -0.262 0.000 2.540 255 A HA 0.560 4.885 4.320 0.008 0.000 0.239 255 A C -0.828 176.615 177.584 -0.234 0.000 1.061 255 A CA -0.020 51.888 52.037 -0.214 0.000 0.758 255 A CB 0.181 19.051 19.000 -0.216 0.000 0.991 255 A HN 0.356 nan 8.150 nan 0.000 0.502 256 P HA 0.235 nan 4.420 nan 0.000 0.271 256 P C -0.618 176.617 177.300 -0.108 0.000 1.218 256 P CA 0.008 63.037 63.100 -0.119 0.000 0.780 256 P CB 0.917 32.578 31.700 -0.065 0.000 0.901 257 V N 2.209 122.073 119.914 -0.082 0.000 2.667 257 V HA 0.211 4.336 4.120 0.008 0.000 0.308 257 V C 1.530 177.651 176.094 0.045 0.000 1.048 257 V CA 0.090 62.382 62.300 -0.013 0.000 0.928 257 V CB 1.605 33.443 31.823 0.025 0.000 1.004 257 V HN 0.746 nan 8.190 nan 0.000 0.444 258 S N 1.522 117.272 115.700 0.083 0.000 2.511 258 S HA 0.554 5.029 4.470 0.008 0.000 0.214 258 S C 0.561 175.217 174.600 0.095 0.000 0.997 258 S CA 0.405 58.651 58.200 0.075 0.000 0.908 258 S CB 0.542 63.783 63.200 0.068 0.000 0.803 258 S HN 1.623 nan 8.310 nan 0.000 0.504 259 G N 1.140 110.023 108.800 0.139 0.000 2.341 259 G HA2 0.376 4.341 3.960 0.008 0.000 0.293 259 G HA3 0.376 4.341 3.960 0.008 0.000 0.293 259 G C -3.536 171.441 174.900 0.128 0.000 1.298 259 G CA -0.657 44.516 45.100 0.122 0.000 0.868 259 G HN 0.087 nan 8.290 nan 0.000 0.540 260 P HA 0.391 nan 4.420 nan 0.000 0.274 260 P C 0.756 178.037 177.300 -0.031 0.000 1.260 260 P CA 0.416 63.461 63.100 -0.093 0.000 0.793 260 P CB 0.491 32.124 31.700 -0.111 0.000 1.048 261 G N -0.586 108.165 108.800 -0.082 0.000 2.537 261 G HA2 0.421 4.386 3.960 0.008 0.000 0.273 261 G HA3 0.421 4.386 3.960 0.008 0.000 0.273 261 G C 0.105 174.994 174.900 -0.018 0.000 1.189 261 G CA -0.590 44.500 45.100 -0.017 0.000 0.881 261 G HN 0.492 nan 8.290 nan 0.000 0.535 262 V N -0.596 119.326 119.914 0.012 0.000 2.872 262 V HA 0.326 4.451 4.120 0.008 0.000 0.307 262 V C -1.980 174.111 176.094 -0.005 0.000 1.072 262 V CA -1.408 60.903 62.300 0.018 0.000 1.148 262 V CB 0.449 32.302 31.823 0.049 0.000 0.954 262 V HN 0.521 nan 8.190 nan 0.000 0.490 263 P HA 0.348 nan 4.420 nan 0.000 0.271 263 P C 0.232 177.542 177.300 0.017 0.000 1.233 263 P CA 0.371 63.470 63.100 -0.001 0.000 0.789 263 P CB 0.315 32.020 31.700 0.009 0.000 0.951 264 G N 0.302 109.116 108.800 0.024 0.000 2.448 264 G HA2 0.128 4.093 3.960 0.008 0.000 0.285 264 G HA3 0.128 4.093 3.960 0.008 0.000 0.285 264 G C 0.788 175.759 174.900 0.118 0.000 1.176 264 G CA -0.523 44.616 45.100 0.066 0.000 0.852 264 G HN 0.337 nan 8.290 nan 0.000 0.530 265 R N 0.448 121.064 120.500 0.194 0.000 2.096 265 R HA -0.133 4.212 4.340 0.008 0.000 0.240 265 R C 1.765 178.063 176.300 -0.002 0.000 1.139 265 R CA 1.760 57.921 56.100 0.102 0.000 0.952 265 R CB -0.232 30.156 30.300 0.147 0.000 0.854 265 R HN 0.600 nan 8.270 nan 0.000 0.436 266 F N -0.621 119.391 119.950 0.103 0.000 2.343 266 F HA 0.009 4.541 4.527 0.008 0.000 0.286 266 F C 2.620 178.484 175.800 0.107 0.000 1.057 266 F CA 1.054 59.136 58.000 0.136 0.000 1.365 266 F CB -0.773 38.361 39.000 0.222 0.000 1.114 266 F HN -0.005 nan 8.300 nan 0.000 0.545 267 T N -2.134 112.577 114.554 0.260 0.000 3.118 267 T HA -0.030 4.325 4.350 0.008 0.000 0.260 267 T C 0.714 175.480 174.700 0.111 0.000 1.139 267 T CA -0.049 62.143 62.100 0.154 0.000 1.085 267 T CB -0.706 68.194 68.868 0.052 0.000 0.934 267 T HN 0.128 nan 8.240 nan 0.000 0.518 268 K N 1.645 122.103 120.400 0.098 0.000 4.116 268 K HA -0.202 4.123 4.320 0.008 0.000 0.277 268 K C -0.289 176.331 176.600 0.032 0.000 0.835 268 K CA 0.704 57.025 56.287 0.058 0.000 0.740 268 K CB -1.169 31.367 32.500 0.059 0.000 1.714 268 K HN 0.773 nan 8.250 nan 0.000 0.433 269 E N 1.136 121.340 120.200 0.008 0.000 2.647 269 E HA 0.077 4.432 4.350 0.008 0.000 0.320 269 E C -1.194 175.377 176.600 -0.048 0.000 0.951 269 E CA -0.731 55.656 56.400 -0.021 0.000 0.809 269 E CB 1.055 30.738 29.700 -0.028 0.000 1.295 269 E HN 0.161 nan 8.360 nan 0.000 0.407 270 K N 1.461 121.831 120.400 -0.050 0.000 2.527 270 K HA 0.218 4.543 4.320 0.008 0.000 0.278 270 K C 0.986 177.523 176.600 -0.105 0.000 0.981 270 K CA 1.153 57.401 56.287 -0.064 0.000 1.009 270 K CB 0.346 32.818 32.500 -0.047 0.000 0.895 270 K HN 0.845 nan 8.250 nan 0.000 0.493 271 G N 1.757 110.475 108.800 -0.136 0.000 2.212 271 G HA2 -0.299 3.666 3.960 0.008 0.000 0.266 271 G HA3 -0.299 3.666 3.960 0.008 0.000 0.266 271 G C 0.054 174.837 174.900 -0.196 0.000 0.978 271 G CA 0.178 45.151 45.100 -0.212 0.000 0.632 271 G HN 0.590 nan 8.290 nan 0.000 0.537 272 I N -0.088 120.391 120.570 -0.152 0.000 2.828 272 I HA 0.755 4.930 4.170 0.008 0.000 0.302 272 I C -0.922 175.134 176.117 -0.103 0.000 1.101 272 I CA -1.259 59.959 61.300 -0.137 0.000 1.031 272 I CB 2.046 39.921 38.000 -0.208 0.000 1.231 272 I HN 0.027 nan 8.210 nan 0.000 0.427 273 L N 5.432 126.617 121.223 -0.064 0.000 2.543 273 L HA 0.531 4.876 4.340 0.008 0.000 0.265 273 L C -0.202 176.609 176.870 -0.098 0.000 0.945 273 L CA -0.567 54.206 54.840 -0.111 0.000 0.869 273 L CB 1.939 43.888 42.059 -0.182 0.000 1.294 273 L HN 0.681 nan 8.230 nan 0.000 0.405 274 A N 1.653 124.328 122.820 -0.243 0.000 2.466 274 A HA 0.036 4.361 4.320 0.008 0.000 0.238 274 A C 0.483 177.849 177.584 -0.364 0.000 1.074 274 A CA 0.354 52.170 52.037 -0.369 0.000 0.774 274 A CB 0.084 18.520 19.000 -0.940 0.000 1.015 274 A HN 0.771 nan 8.150 nan 0.000 0.498 275 Y N 1.826 121.953 120.300 -0.288 0.000 2.097 275 Y HA -0.327 4.228 4.550 0.009 0.000 0.282 275 Y C 2.137 177.890 175.900 -0.245 0.000 1.152 275 Y CA 2.898 60.894 58.100 -0.175 0.000 1.136 275 Y CB -0.864 37.585 38.460 -0.019 0.000 0.975 275 Y HN 0.837 nan 8.280 nan 0.000 0.498 276 Y N -0.630 119.530 120.300 -0.234 0.000 2.315 276 Y HA -0.130 4.425 4.550 0.008 0.000 0.288 276 Y C 1.845 177.441 175.900 -0.507 0.000 1.154 276 Y CA 1.349 59.169 58.100 -0.467 0.000 1.229 276 Y CB -1.219 36.791 38.460 -0.751 0.000 0.980 276 Y HN 0.218 nan 8.280 nan 0.000 0.540 277 E N 0.807 120.555 120.200 -0.754 0.000 2.112 277 E HA -0.060 4.295 4.350 0.008 0.000 0.190 277 E C 2.144 178.602 176.600 -0.235 0.000 0.979 277 E CA 1.129 57.295 56.400 -0.390 0.000 0.814 277 E CB -0.167 29.305 29.700 -0.381 0.000 0.762 277 E HN 0.548 nan 8.360 nan 0.000 0.460 278 I N 0.923 121.281 120.570 -0.354 0.000 2.361 278 I HA -0.298 3.877 4.170 0.008 0.000 0.251 278 I C 2.243 178.162 176.117 -0.329 0.000 1.133 278 I CA 0.529 61.623 61.300 -0.345 0.000 1.413 278 I CB -0.254 37.467 38.000 -0.464 0.000 1.073 278 I HN 0.257 nan 8.210 nan 0.000 0.424 279 c N 0.604 118.951 118.600 -0.423 0.000 2.413 279 c HA -0.199 4.376 4.570 0.008 0.000 0.277 279 c C 2.548 176.518 174.090 -0.199 0.000 1.265 279 c CA 1.462 57.578 56.329 -0.355 0.000 1.752 279 c CB -0.988 41.357 42.510 -0.274 0.000 1.998 279 c HN 0.590 nan 8.230 nan 0.000 0.489 280 D N -0.312 120.083 120.400 -0.009 0.000 2.120 280 D HA -0.135 4.510 4.640 0.008 0.000 0.202 280 D C 1.892 178.237 176.300 0.075 0.000 0.972 280 D CA 0.928 55.012 54.000 0.141 0.000 0.837 280 D CB -0.446 40.496 40.800 0.237 0.000 0.989 280 D HN 0.428 nan 8.370 nan 0.000 0.469 281 F N 0.626 120.515 119.950 -0.102 0.000 2.065 281 F HA -0.186 4.345 4.527 0.007 0.000 0.298 281 F C 2.006 177.706 175.800 -0.165 0.000 1.112 281 F CA 1.102 59.034 58.000 -0.113 0.000 1.212 281 F CB -0.513 38.393 39.000 -0.156 0.000 0.975 281 F HN 0.023 nan 8.300 nan 0.000 0.476 282 L N 0.587 121.725 121.223 -0.141 0.000 2.151 282 L HA -0.275 4.070 4.340 0.008 0.000 0.215 282 L C 0.863 177.516 176.870 -0.362 0.000 1.084 282 L CA 1.438 56.098 54.840 -0.301 0.000 0.764 282 L CB -1.348 40.502 42.059 -0.349 0.000 0.891 282 L HN 0.151 nan 8.230 nan 0.000 0.435 283 H N 0.014 118.976 119.070 -0.180 0.000 3.082 283 H HA 0.308 4.869 4.556 0.008 0.000 0.275 283 H C 1.454 176.662 175.328 -0.200 0.000 1.032 283 H CA 0.701 56.658 56.048 -0.152 0.000 1.477 283 H CB -0.184 29.519 29.762 -0.098 0.000 1.520 283 H HN 0.325 nan 8.280 nan 0.000 0.521 284 G N 2.147 110.907 108.800 -0.066 0.000 2.176 284 G HA2 -0.191 3.774 3.960 0.008 0.000 0.232 284 G HA3 -0.191 3.774 3.960 0.008 0.000 0.232 284 G C 0.447 175.229 174.900 -0.196 0.000 0.986 284 G CA 0.046 45.079 45.100 -0.112 0.000 0.643 284 G HN 0.895 nan 8.290 nan 0.000 0.522 285 A N -0.573 122.086 122.820 -0.268 0.000 2.256 285 A HA 0.894 5.219 4.320 0.008 0.000 0.318 285 A C 0.314 177.769 177.584 -0.215 0.000 1.103 285 A CA 0.491 52.342 52.037 -0.311 0.000 0.860 285 A CB 1.031 19.748 19.000 -0.470 0.000 1.182 285 A HN 0.687 nan 8.150 nan 0.000 0.501 286 T N 1.482 115.906 114.554 -0.217 0.000 2.779 286 T HA 0.572 4.927 4.350 0.008 0.000 0.280 286 T C -0.184 174.222 174.700 -0.491 0.000 0.987 286 T CA -0.177 61.749 62.100 -0.289 0.000 0.966 286 T CB 0.966 69.703 68.868 -0.220 0.000 0.933 286 T HN 0.831 nan 8.240 nan 0.000 0.442 287 T N 1.650 115.900 114.554 -0.506 0.000 2.794 287 T HA 0.626 4.981 4.350 0.008 0.000 0.280 287 T C -0.516 173.750 174.700 -0.723 0.000 0.987 287 T CA -0.931 60.857 62.100 -0.520 0.000 0.993 287 T CB 1.061 69.790 68.868 -0.231 0.000 0.939 287 T HN 0.543 nan 8.240 nan 0.000 0.449 288 H N 1.518 120.242 119.070 -0.576 0.000 2.995 288 H HA 0.753 5.313 4.556 0.008 0.000 0.305 288 H C -0.304 174.672 175.328 -0.587 0.000 1.510 288 H CA -1.120 54.536 56.048 -0.653 0.000 1.376 288 H CB 1.741 30.822 29.762 -1.136 0.000 1.918 288 H HN 0.660 nan 8.280 nan 0.000 0.709 289 R N 0.710 121.094 120.500 -0.193 0.000 2.572 289 R HA 0.137 4.482 4.340 0.008 0.000 0.273 289 R C -1.635 174.725 176.300 0.101 0.000 1.168 289 R CA -0.539 55.517 56.100 -0.073 0.000 1.021 289 R CB 0.660 30.930 30.300 -0.051 0.000 1.249 289 R HN 0.261 nan 8.270 nan 0.000 0.423 290 F N 5.261 125.394 119.950 0.305 0.000 2.531 290 F HA 0.066 4.597 4.527 0.008 0.000 0.340 290 F C 1.966 177.824 175.800 0.097 0.000 1.247 290 F CA -0.095 58.016 58.000 0.184 0.000 1.027 290 F CB 0.280 39.348 39.000 0.113 0.000 1.241 290 F HN 0.575 nan 8.300 nan 0.000 0.622 291 R N 0.542 121.180 120.500 0.231 0.000 2.127 291 R HA -0.199 4.147 4.340 0.008 0.000 0.238 291 R C 1.482 177.864 176.300 0.136 0.000 1.134 291 R CA 2.032 58.217 56.100 0.142 0.000 0.975 291 R CB -0.368 29.992 30.300 0.100 0.000 0.865 291 R HN 0.404 nan 8.270 nan 0.000 0.447 292 D N 0.431 120.919 120.400 0.147 0.000 2.097 292 D HA -0.140 4.505 4.640 0.008 0.000 0.195 292 D C 1.276 177.660 176.300 0.140 0.000 0.989 292 D CA 1.497 55.553 54.000 0.093 0.000 0.827 292 D CB 0.048 40.882 40.800 0.056 0.000 0.966 292 D HN 0.549 nan 8.370 nan 0.000 0.456 293 Q N -0.184 119.711 119.800 0.159 0.000 2.247 293 Q HA 0.166 4.511 4.340 0.008 0.000 0.204 293 Q C -0.337 175.733 176.000 0.118 0.000 0.872 293 Q CA -0.102 55.789 55.803 0.146 0.000 0.951 293 Q CB 0.672 29.409 28.738 -0.002 0.000 1.099 293 Q HN 0.113 nan 8.270 nan 0.000 0.501 294 Q N -0.639 119.254 119.800 0.155 0.000 2.463 294 Q HA -0.150 4.195 4.340 0.008 0.000 0.299 294 Q C -0.669 175.324 176.000 -0.012 0.000 1.353 294 Q CA 0.995 56.852 55.803 0.089 0.000 0.828 294 Q CB -2.534 26.267 28.738 0.106 0.000 1.157 294 Q HN 0.352 nan 8.270 nan 0.000 0.436 295 V N -4.059 115.848 119.914 -0.012 0.000 3.087 295 V HA 0.840 4.965 4.120 0.008 0.000 0.306 295 V C -2.629 173.443 176.094 -0.037 0.000 1.187 295 V CA -2.049 60.178 62.300 -0.121 0.000 0.999 295 V CB 2.645 34.153 31.823 -0.525 0.000 1.049 295 V HN -0.044 nan 8.190 nan 0.000 0.431 296 P HA 0.661 nan 4.420 nan 0.000 0.286 296 P C -2.021 175.132 177.300 -0.246 0.000 1.292 296 P CA -0.417 62.515 63.100 -0.280 0.000 0.842 296 P CB 1.731 33.107 31.700 -0.540 0.000 1.207 297 Y N -2.801 117.242 120.300 -0.428 0.000 2.521 297 Y HA 0.790 5.345 4.550 0.008 0.000 0.332 297 Y C -1.766 173.982 175.900 -0.254 0.000 1.121 297 Y CA -1.563 56.263 58.100 -0.458 0.000 1.037 297 Y CB 0.507 38.492 38.460 -0.793 0.000 1.330 297 Y HN 0.641 nan 8.280 nan 0.000 0.452 298 A N 1.480 124.194 122.820 -0.176 0.000 2.435 298 A HA 0.993 5.318 4.320 0.008 0.000 0.296 298 A C -0.986 176.529 177.584 -0.114 0.000 1.147 298 A CA -0.835 51.121 52.037 -0.134 0.000 0.775 298 A CB 1.814 20.854 19.000 0.067 0.000 1.340 298 A HN 0.874 nan 8.150 nan 0.000 0.427 299 T N 0.591 115.168 114.554 0.037 0.000 2.932 299 T HA 0.618 4.973 4.350 0.008 0.000 0.318 299 T C -1.212 173.555 174.700 0.111 0.000 1.265 299 T CA -0.617 61.596 62.100 0.188 0.000 1.036 299 T CB 1.544 70.574 68.868 0.270 0.000 1.209 299 T HN 0.635 nan 8.240 nan 0.000 0.484 300 K N 1.552 122.054 120.400 0.170 0.000 2.635 300 K HA 0.487 4.812 4.320 0.008 0.000 0.266 300 K C 0.391 177.051 176.600 0.099 0.000 1.033 300 K CA 0.283 56.566 56.287 -0.007 0.000 0.919 300 K CB 0.884 33.172 32.500 -0.355 0.000 1.289 300 K HN 1.018 nan 8.250 nan 0.000 0.463 301 G N 3.512 112.361 108.800 0.082 0.000 2.531 301 G HA2 -0.351 3.614 3.960 0.008 0.000 0.274 301 G HA3 -0.351 3.614 3.960 0.008 0.000 0.274 301 G C -0.107 174.879 174.900 0.144 0.000 1.159 301 G CA 0.376 45.535 45.100 0.099 0.000 0.969 301 G HN 0.766 nan 8.290 nan 0.000 0.554 302 N N 1.109 119.901 118.700 0.154 0.000 2.321 302 N HA 0.207 4.952 4.740 0.008 0.000 0.242 302 N C -0.105 175.540 175.510 0.225 0.000 1.141 302 N CA 0.230 53.382 53.050 0.170 0.000 0.864 302 N CB 0.778 39.343 38.487 0.129 0.000 1.100 302 N HN 0.546 nan 8.380 nan 0.000 0.510 303 Q N 0.640 120.608 119.800 0.279 0.000 2.357 303 Q HA 0.207 4.552 4.340 0.008 0.000 0.266 303 Q C -1.564 174.691 176.000 0.426 0.000 1.021 303 Q CA -0.272 55.730 55.803 0.332 0.000 0.784 303 Q CB 1.554 30.512 28.738 0.366 0.000 1.243 303 Q HN 0.429 nan 8.270 nan 0.000 0.465 304 W N 4.051 125.491 121.300 0.233 0.000 2.376 304 W HA 0.563 5.227 4.660 0.007 0.000 0.312 304 W C -1.138 175.528 176.519 0.245 0.000 1.060 304 W CA -0.524 56.974 57.345 0.256 0.000 1.221 304 W CB 1.040 30.623 29.460 0.205 0.000 1.281 304 W HN 0.261 nan 8.180 nan 0.000 0.456 305 V N 5.614 125.388 119.914 -0.234 0.000 2.604 305 V HA 0.774 4.899 4.120 0.008 0.000 0.305 305 V C -0.219 175.571 176.094 -0.507 0.000 1.043 305 V CA -1.046 61.115 62.300 -0.232 0.000 0.888 305 V CB 1.389 33.008 31.823 -0.340 0.000 0.995 305 V HN 0.653 nan 8.190 nan 0.000 0.429 306 A N 5.033 127.727 122.820 -0.210 0.000 2.287 306 A HA 0.927 5.252 4.320 0.008 0.000 0.317 306 A C -1.028 176.530 177.584 -0.044 0.000 1.220 306 A CA -0.403 51.450 52.037 -0.307 0.000 0.835 306 A CB 0.678 19.513 19.000 -0.276 0.000 1.180 306 A HN 1.161 nan 8.150 nan 0.000 0.500 307 Y N -0.401 119.793 120.300 -0.176 0.000 2.728 307 Y HA 0.724 5.279 4.550 0.008 0.000 0.330 307 Y C -1.215 174.755 175.900 0.116 0.000 1.234 307 Y CA -1.740 56.367 58.100 0.012 0.000 1.070 307 Y CB 0.910 39.395 38.460 0.042 0.000 1.300 307 Y HN 0.423 nan 8.280 nan 0.000 0.467 308 D N 2.106 122.620 120.400 0.189 0.000 2.308 308 D HA 0.204 4.849 4.640 0.008 0.000 0.242 308 D C -1.261 175.120 176.300 0.136 0.000 1.059 308 D CA -0.174 53.855 54.000 0.048 0.000 0.830 308 D CB 1.749 42.551 40.800 0.003 0.000 1.161 308 D HN 0.685 nan 8.370 nan 0.000 0.494 309 D N 0.737 121.172 120.400 0.059 0.000 2.326 309 D HA 0.073 4.718 4.640 0.008 0.000 0.248 309 D C 0.954 177.260 176.300 0.010 0.000 1.001 309 D CA -0.455 53.625 54.000 0.133 0.000 0.961 309 D CB 1.353 42.285 40.800 0.219 0.000 1.183 309 D HN 0.191 nan 8.370 nan 0.000 0.502 310 Q N -0.408 119.397 119.800 0.009 0.000 2.182 310 Q HA -0.310 4.035 4.340 0.008 0.000 0.213 310 Q C 1.487 177.491 176.000 0.007 0.000 1.000 310 Q CA 2.381 58.182 55.803 -0.004 0.000 0.889 310 Q CB -0.124 28.633 28.738 0.032 0.000 0.932 310 Q HN 0.624 nan 8.270 nan 0.000 0.415 311 E N 0.571 120.784 120.200 0.020 0.000 2.007 311 E HA -0.198 4.157 4.350 0.008 0.000 0.194 311 E C 2.038 178.638 176.600 0.000 0.000 0.999 311 E CA 1.955 58.364 56.400 0.014 0.000 0.811 311 E CB -0.335 29.375 29.700 0.017 0.000 0.762 311 E HN 0.321 nan 8.360 nan 0.000 0.450 312 S N -0.582 115.109 115.700 -0.016 0.000 2.402 312 S HA -0.166 4.309 4.470 0.008 0.000 0.233 312 S C 2.159 176.742 174.600 -0.029 0.000 1.030 312 S CA 1.433 59.614 58.200 -0.033 0.000 1.003 312 S CB -0.637 62.526 63.200 -0.063 0.000 0.813 312 S HN 0.155 nan 8.310 nan 0.000 0.477 313 V N 1.712 121.611 119.914 -0.025 0.000 2.488 313 V HA -0.038 4.087 4.120 0.008 0.000 0.246 313 V C 2.629 178.719 176.094 -0.008 0.000 1.046 313 V CA 1.755 64.042 62.300 -0.021 0.000 1.053 313 V CB -0.447 31.354 31.823 -0.036 0.000 0.679 313 V HN 0.529 nan 8.190 nan 0.000 0.458 314 K N -0.037 120.361 120.400 -0.003 0.000 2.103 314 K HA -0.153 4.172 4.320 0.008 0.000 0.204 314 K C 2.061 178.669 176.600 0.014 0.000 1.052 314 K CA 1.352 57.641 56.287 0.004 0.000 0.945 314 K CB -0.385 32.120 32.500 0.008 0.000 0.722 314 K HN 0.489 nan 8.250 nan 0.000 0.443 315 N N 1.727 120.437 118.700 0.017 0.000 2.036 315 N HA -0.225 4.520 4.740 0.008 0.000 0.195 315 N C 1.543 177.076 175.510 0.039 0.000 1.037 315 N CA 1.620 54.691 53.050 0.034 0.000 0.855 315 N CB 0.088 38.589 38.487 0.024 0.000 1.033 315 N HN 0.163 nan 8.380 nan 0.000 0.423 316 K N 0.470 120.871 120.400 0.002 0.000 2.063 316 K HA -0.096 4.229 4.320 0.008 0.000 0.208 316 K C 2.202 178.845 176.600 0.073 0.000 1.048 316 K CA 1.197 57.486 56.287 0.004 0.000 0.928 316 K CB -0.201 32.284 32.500 -0.024 0.000 0.713 316 K HN 0.247 nan 8.250 nan 0.000 0.442 317 A N 1.984 124.824 122.820 0.034 0.000 1.908 317 A HA -0.214 4.111 4.320 0.008 0.000 0.218 317 A C 2.076 179.656 177.584 -0.006 0.000 1.181 317 A CA 1.451 53.491 52.037 0.004 0.000 0.627 317 A CB -0.432 18.553 19.000 -0.025 0.000 0.818 317 A HN 0.251 nan 8.150 nan 0.000 0.445 318 R N -2.288 118.227 120.500 0.026 0.000 2.092 318 R HA -0.139 4.206 4.340 0.008 0.000 0.231 318 R C 2.157 178.494 176.300 0.061 0.000 1.119 318 R CA 1.499 57.613 56.100 0.024 0.000 0.970 318 R CB -0.637 29.692 30.300 0.049 0.000 0.864 318 R HN 0.685 nan 8.270 nan 0.000 0.440 319 Y N 3.117 123.412 120.300 -0.008 0.000 2.081 319 Y HA -0.249 4.306 4.550 0.009 0.000 0.280 319 Y C 2.211 178.116 175.900 0.009 0.000 1.163 319 Y CA 1.786 59.890 58.100 0.007 0.000 1.135 319 Y CB -0.292 38.148 38.460 -0.032 0.000 0.970 319 Y HN 0.006 nan 8.280 nan 0.000 0.498 320 L N -0.720 120.558 121.223 0.091 0.000 2.265 320 L HA -0.134 4.211 4.340 0.008 0.000 0.215 320 L C 1.698 178.542 176.870 -0.043 0.000 1.117 320 L CA 1.841 56.685 54.840 0.008 0.000 0.782 320 L CB -1.138 40.970 42.059 0.082 0.000 0.914 320 L HN 0.282 nan 8.230 nan 0.000 0.441 321 K N 0.544 120.906 120.400 -0.062 0.000 2.116 321 K HA -0.035 4.290 4.320 0.008 0.000 0.203 321 K C 1.744 178.341 176.600 -0.006 0.000 1.052 321 K CA 0.924 57.193 56.287 -0.029 0.000 0.952 321 K CB -0.034 32.406 32.500 -0.100 0.000 0.729 321 K HN 0.440 nan 8.250 nan 0.000 0.446 322 N N 0.936 119.588 118.700 -0.079 0.000 2.396 322 N HA -0.066 4.679 4.740 0.008 0.000 0.180 322 N C 1.263 176.694 175.510 -0.131 0.000 1.028 322 N CA 0.770 53.765 53.050 -0.091 0.000 0.893 322 N CB 0.122 38.546 38.487 -0.106 0.000 0.967 322 N HN 0.156 nan 8.380 nan 0.000 0.440 323 R N 0.728 121.106 120.500 -0.203 0.000 2.334 323 R HA 0.159 4.505 4.340 0.008 0.000 0.216 323 R C -0.289 175.976 176.300 -0.059 0.000 0.905 323 R CA -0.014 55.989 56.100 -0.162 0.000 1.064 323 R CB 0.258 30.412 30.300 -0.244 0.000 1.046 323 R HN 0.192 nan 8.270 nan 0.000 0.508 324 Q N 0.848 120.641 119.800 -0.011 0.000 2.459 324 Q HA -0.169 4.176 4.340 0.008 0.000 0.314 324 Q C -0.917 175.114 176.000 0.051 0.000 1.432 324 Q CA 0.368 56.196 55.803 0.042 0.000 0.823 324 Q CB -1.594 27.151 28.738 0.011 0.000 1.124 324 Q HN 0.350 nan 8.270 nan 0.000 0.392 325 L N -1.173 120.104 121.223 0.089 0.000 2.387 325 L HA 0.573 4.918 4.340 0.008 0.000 0.266 325 L C 1.632 178.577 176.870 0.125 0.000 1.059 325 L CA 0.050 54.941 54.840 0.085 0.000 0.801 325 L CB 0.536 42.643 42.059 0.080 0.000 1.223 325 L HN 0.374 nan 8.230 nan 0.000 0.456 326 A N 1.053 123.916 122.820 0.071 0.000 1.877 326 A HA 0.233 4.558 4.320 0.008 0.000 0.216 326 A C 0.954 178.599 177.584 0.102 0.000 1.186 326 A CA 1.766 53.827 52.037 0.040 0.000 0.620 326 A CB -0.441 18.551 19.000 -0.014 0.000 0.822 326 A HN 0.933 nan 8.150 nan 0.000 0.443 327 G N -3.347 105.504 108.800 0.086 0.000 2.435 327 G HA2 0.607 4.572 3.960 0.008 0.000 0.296 327 G HA3 0.607 4.572 3.960 0.008 0.000 0.296 327 G C -1.100 173.832 174.900 0.053 0.000 1.240 327 G CA 0.037 45.194 45.100 0.095 0.000 0.872 327 G HN 1.131 nan 8.290 nan 0.000 0.480 328 A N -0.394 122.448 122.820 0.038 0.000 2.356 328 A HA 0.851 5.176 4.320 0.008 0.000 0.323 328 A C -0.478 177.158 177.584 0.087 0.000 1.119 328 A CA -0.598 51.477 52.037 0.063 0.000 0.790 328 A CB 1.893 20.921 19.000 0.046 0.000 1.273 328 A HN 1.127 nan 8.150 nan 0.000 0.452 329 M N 2.525 122.218 119.600 0.155 0.000 2.326 329 M HA 0.536 5.021 4.480 0.008 0.000 0.306 329 M C -2.109 174.368 176.300 0.296 0.000 1.054 329 M CA -0.539 54.904 55.300 0.237 0.000 0.922 329 M CB 1.498 34.286 32.600 0.314 0.000 1.632 329 M HN 0.378 nan 8.290 nan 0.000 0.436 330 V N 5.678 125.767 119.914 0.292 0.000 2.357 330 V HA 0.322 4.447 4.120 0.008 0.000 0.284 330 V C -0.699 175.630 176.094 0.392 0.000 1.018 330 V CA -0.648 61.823 62.300 0.285 0.000 0.841 330 V CB 1.640 33.561 31.823 0.164 0.000 0.991 330 V HN 0.874 nan 8.190 nan 0.000 0.437 331 W N 6.794 128.250 121.300 0.260 0.000 2.387 331 W HA 0.577 5.242 4.660 0.008 0.000 0.310 331 W C 0.195 176.833 176.519 0.197 0.000 1.181 331 W CA 0.099 57.591 57.345 0.244 0.000 1.333 331 W CB 0.788 30.353 29.460 0.174 0.000 1.286 331 W HN 0.942 nan 8.180 nan 0.000 0.455 332 A N 5.531 127.855 122.820 -0.826 0.000 2.189 332 A HA -0.233 4.092 4.320 0.008 0.000 0.563 332 A C 0.063 177.505 177.584 -0.237 0.000 0.534 332 A CA 0.238 51.818 52.037 -0.762 0.000 0.372 332 A CB -1.417 17.106 19.000 -0.795 0.000 3.240 332 A HN 0.826 nan 8.150 nan 0.000 0.455 333 L N 1.939 123.070 121.223 -0.152 0.000 2.131 333 L HA -0.084 4.261 4.340 0.008 0.000 0.206 333 L C 2.495 179.421 176.870 0.093 0.000 1.087 333 L CA 1.440 56.332 54.840 0.087 0.000 0.767 333 L CB -0.394 41.743 42.059 0.130 0.000 0.917 333 L HN 0.955 nan 8.230 nan 0.000 0.441 334 D N 0.444 120.757 120.400 -0.145 0.000 2.311 334 D HA -0.216 4.429 4.640 0.008 0.000 0.212 334 D C 1.911 178.227 176.300 0.027 0.000 0.972 334 D CA 1.108 54.935 54.000 -0.288 0.000 0.887 334 D CB -0.086 40.428 40.800 -0.476 0.000 0.915 334 D HN 0.414 nan 8.370 nan 0.000 0.497 335 L N -0.098 121.165 121.223 0.067 0.000 2.529 335 L HA 0.095 4.440 4.340 0.008 0.000 0.223 335 L C 1.247 178.296 176.870 0.298 0.000 1.113 335 L CA -0.165 54.776 54.840 0.169 0.000 0.861 335 L CB -0.045 42.066 42.059 0.086 0.000 1.012 335 L HN -0.095 nan 8.230 nan 0.000 0.461 336 D N 0.208 120.811 120.400 0.338 0.000 2.414 336 D HA -0.055 4.590 4.640 0.008 0.000 0.251 336 D C -0.198 176.354 176.300 0.421 0.000 1.252 336 D CA -0.150 54.063 54.000 0.356 0.000 0.999 336 D CB 1.016 42.024 40.800 0.346 0.000 1.093 336 D HN -0.154 nan 8.370 nan 0.000 0.515 337 D N 0.431 121.000 120.400 0.282 0.000 2.801 337 D HA 0.005 4.650 4.640 0.008 0.000 0.232 337 D C 1.193 177.320 176.300 -0.288 0.000 1.128 337 D CA -0.312 53.709 54.000 0.036 0.000 1.003 337 D CB -1.106 39.767 40.800 0.122 0.000 1.110 337 D HN 0.322 nan 8.370 nan 0.000 0.477 338 F N 0.259 119.916 119.950 -0.487 0.000 2.147 338 F HA -0.196 4.336 4.527 0.008 0.000 0.301 338 F C 1.737 177.150 175.800 -0.645 0.000 1.084 338 F CA 1.050 58.430 58.000 -1.032 0.000 1.268 338 F CB -0.557 38.065 39.000 -0.630 0.000 1.009 338 F HN 0.048 nan 8.300 nan 0.000 0.486 339 R N 0.427 120.429 120.500 -0.829 0.000 2.200 339 R HA 0.212 4.557 4.340 0.008 0.000 0.208 339 R C 1.711 177.848 176.300 -0.271 0.000 1.033 339 R CA 0.589 56.413 56.100 -0.459 0.000 1.000 339 R CB -0.475 29.536 30.300 -0.481 0.000 0.906 339 R HN 0.567 nan 8.270 nan 0.000 0.462 340 G N 1.114 109.764 108.800 -0.251 0.000 2.198 340 G HA2 -0.302 3.663 3.960 0.008 0.000 0.260 340 G HA3 -0.302 3.663 3.960 0.008 0.000 0.260 340 G C 0.694 175.552 174.900 -0.069 0.000 1.025 340 G CA 0.902 45.940 45.100 -0.103 0.000 0.769 340 G HN 0.491 nan 8.290 nan 0.000 0.507 341 T N -4.394 110.109 114.554 -0.084 0.000 2.971 341 T HA 0.398 4.753 4.350 0.008 0.000 0.252 341 T C 1.748 176.332 174.700 -0.194 0.000 1.022 341 T CA 0.841 62.853 62.100 -0.148 0.000 0.980 341 T CB -0.019 68.701 68.868 -0.247 0.000 1.044 341 T HN 0.126 nan 8.240 nan 0.000 0.501 342 F N 2.127 121.986 119.950 -0.153 0.000 2.270 342 F HA 0.316 4.847 4.527 0.008 0.000 0.295 342 F C 1.270 177.031 175.800 -0.065 0.000 1.087 342 F CA -0.463 57.475 58.000 -0.104 0.000 1.365 342 F CB -0.014 38.921 39.000 -0.108 0.000 1.056 342 F HN 0.187 nan 8.300 nan 0.000 0.506 343 c N 1.314 119.991 118.600 0.128 0.000 2.203 343 c HA 0.595 5.170 4.570 0.008 0.000 0.325 343 c C 1.740 175.866 174.090 0.059 0.000 1.156 343 c CA -0.935 55.430 56.329 0.059 0.000 1.597 343 c CB -0.470 42.080 42.510 0.067 0.000 2.148 343 c HN 0.806 nan 8.230 nan 0.000 0.472 344 G N 3.908 112.740 108.800 0.054 0.000 3.376 344 G HA2 -0.326 3.639 3.960 0.008 0.000 0.286 344 G HA3 -0.326 3.639 3.960 0.008 0.000 0.286 344 G C 0.625 175.545 174.900 0.032 0.000 0.909 344 G CA 1.184 46.312 45.100 0.046 0.000 0.769 344 G HN 1.030 nan 8.290 nan 0.000 1.194 345 Q N 1.239 121.064 119.800 0.041 0.000 2.748 345 Q HA -0.114 4.231 4.340 0.008 0.000 0.385 345 Q C -0.534 175.483 176.000 0.029 0.000 1.156 345 Q CA 1.291 57.117 55.803 0.037 0.000 1.143 345 Q CB -0.166 28.603 28.738 0.051 0.000 1.138 345 Q HN 0.557 nan 8.270 nan 0.000 0.445 346 N N 2.477 121.188 118.700 0.019 0.000 3.259 346 N HA 0.269 5.014 4.740 0.008 0.000 0.308 346 N C -0.928 174.595 175.510 0.021 0.000 1.334 346 N CA 0.029 53.084 53.050 0.009 0.000 1.202 346 N CB 0.185 38.673 38.487 0.001 0.000 1.485 346 N HN 0.451 nan 8.380 nan 0.000 0.549 347 L N -0.327 120.917 121.223 0.035 0.000 2.346 347 L HA 0.505 4.850 4.340 0.008 0.000 0.274 347 L C -0.082 176.818 176.870 0.050 0.000 1.007 347 L CA -0.603 54.269 54.840 0.054 0.000 0.818 347 L CB 1.818 43.920 42.059 0.072 0.000 1.284 347 L HN 0.060 nan 8.230 nan 0.000 0.424 348 T N 3.067 117.663 114.554 0.070 0.000 2.882 348 T HA 0.376 4.731 4.350 0.008 0.000 0.287 348 T C -0.157 174.642 174.700 0.165 0.000 0.992 348 T CA 0.071 62.192 62.100 0.034 0.000 1.076 348 T CB 0.075 68.985 68.868 0.069 0.000 0.961 348 T HN 0.451 nan 8.240 nan 0.000 0.490 349 F N 3.998 124.016 119.950 0.112 0.000 2.969 349 F HA -0.153 4.379 4.527 0.009 0.000 0.273 349 F C -1.301 174.549 175.800 0.084 0.000 0.986 349 F CA 0.187 58.255 58.000 0.114 0.000 0.926 349 F CB -1.528 37.531 39.000 0.098 0.000 0.887 349 F HN 0.555 nan 8.300 nan 0.000 0.816 350 P HA -0.241 nan 4.420 nan 0.000 0.212 350 P C 1.906 179.253 177.300 0.079 0.000 1.178 350 P CA 1.530 64.715 63.100 0.141 0.000 0.915 350 P CB 0.280 32.084 31.700 0.174 0.000 0.788 351 L N -0.088 121.129 121.223 -0.011 0.000 1.956 351 L HA -0.167 4.178 4.340 0.008 0.000 0.216 351 L C 2.755 179.630 176.870 0.009 0.000 1.073 351 L CA 2.542 57.328 54.840 -0.089 0.000 0.762 351 L CB -2.273 39.645 42.059 -0.234 0.000 0.889 351 L HN 0.019 nan 8.230 nan 0.000 0.433 352 T N -1.232 113.365 114.554 0.072 0.000 2.822 352 T HA -0.188 4.167 4.350 0.008 0.000 0.270 352 T C 2.018 176.752 174.700 0.056 0.000 1.064 352 T CA 1.473 63.614 62.100 0.068 0.000 1.131 352 T CB -0.305 68.608 68.868 0.074 0.000 0.858 352 T HN 0.307 nan 8.240 nan 0.000 0.483 353 S N 1.274 117.025 115.700 0.086 0.000 2.371 353 S HA 0.072 4.547 4.470 0.008 0.000 0.224 353 S C 2.652 177.277 174.600 0.041 0.000 1.029 353 S CA 0.736 58.978 58.200 0.070 0.000 0.978 353 S CB -0.535 62.725 63.200 0.099 0.000 0.833 353 S HN 0.625 nan 8.310 nan 0.000 0.466 354 A N 1.321 124.161 122.820 0.033 0.000 1.908 354 A HA -0.089 4.236 4.320 0.008 0.000 0.218 354 A C 2.316 179.904 177.584 0.007 0.000 1.181 354 A CA 1.689 53.736 52.037 0.018 0.000 0.627 354 A CB -0.946 18.058 19.000 0.006 0.000 0.818 354 A HN 0.352 nan 8.150 nan 0.000 0.445 355 V N 0.042 119.959 119.914 0.005 0.000 2.427 355 V HA -0.217 3.909 4.120 0.008 0.000 0.248 355 V C 2.506 178.592 176.094 -0.014 0.000 1.051 355 V CA 2.222 64.519 62.300 -0.005 0.000 1.048 355 V CB -0.577 31.250 31.823 0.007 0.000 0.666 355 V HN 0.672 nan 8.190 nan 0.000 0.456 356 K N -0.031 120.370 120.400 0.003 0.000 2.057 356 K HA -0.209 4.116 4.320 0.008 0.000 0.206 356 K C 1.820 178.421 176.600 0.002 0.000 1.050 356 K CA 1.769 58.059 56.287 0.006 0.000 0.935 356 K CB -0.185 32.326 32.500 0.019 0.000 0.715 356 K HN 0.419 nan 8.250 nan 0.000 0.439 357 D N 0.369 120.773 120.400 0.007 0.000 2.144 357 D HA -0.126 4.519 4.640 0.008 0.000 0.199 357 D C 1.961 178.257 176.300 -0.008 0.000 0.984 357 D CA 0.876 54.880 54.000 0.007 0.000 0.834 357 D CB -0.027 40.782 40.800 0.015 0.000 0.955 357 D HN 0.051 nan 8.370 nan 0.000 0.465 358 V N 0.892 120.792 119.914 -0.024 0.000 2.270 358 V HA -0.193 3.932 4.120 0.008 0.000 0.245 358 V C 2.434 178.470 176.094 -0.096 0.000 1.043 358 V CA 0.955 63.227 62.300 -0.048 0.000 1.014 358 V CB -0.331 31.459 31.823 -0.054 0.000 0.645 358 V HN 0.126 nan 8.190 nan 0.000 0.447 359 L N 0.578 121.719 121.223 -0.135 0.000 2.191 359 L HA -0.051 4.294 4.340 0.008 0.000 0.212 359 L C 2.448 179.272 176.870 -0.077 0.000 1.103 359 L CA 2.008 56.695 54.840 -0.255 0.000 0.769 359 L CB -1.284 40.650 42.059 -0.208 0.000 0.908 359 L HN 0.321 nan 8.230 nan 0.000 0.438 360 A N -1.589 121.226 122.820 -0.007 0.000 2.168 360 A HA -0.076 4.249 4.320 0.008 0.000 0.215 360 A C 1.265 178.879 177.584 0.050 0.000 1.152 360 A CA 0.414 52.478 52.037 0.046 0.000 0.716 360 A CB -0.394 18.626 19.000 0.034 0.000 0.794 360 A HN 0.428 nan 8.150 nan 0.000 0.465 361 E N -0.906 119.307 120.200 0.022 0.000 2.385 361 E HA 0.402 4.757 4.350 0.008 0.000 0.254 361 E C -0.337 176.305 176.600 0.069 0.000 1.228 361 E CA -0.644 55.774 56.400 0.030 0.000 0.956 361 E CB 0.823 30.527 29.700 0.007 0.000 1.116 361 E HN 0.101 nan 8.360 nan 0.000 0.507 362 V N 0.000 119.956 119.914 0.070 0.000 2.409 362 V HA 0.000 4.125 4.120 0.008 0.000 0.244 362 V CA 0.000 62.363 62.300 0.105 0.000 1.235 362 V CB 0.000 31.865 31.823 0.071 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556