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 1yl7_1_D DATA FIRST_RESID 1 DATA SEQUENCE ARVGVLGAKG KVGATMVRAV AAADDLTLSA ELDAGDPLSL LTDGNTEVVI DATA SEQUENCE DFTHPDVVMG NLEFLIDNGI HAVVGTTGFT AERFQQVESW LVAKPNTSVL DATA SEQUENCE IAPNFAIGAV LSMHFAKQAA RFFDSAEVIE LHHPHKADAP SGTAARTAKL DATA SEQUENCE IAEARKGLPP NPDATSTSLP GARGADVDGI PVHAVRLAGL VAHQEVLFGT DATA SEQUENCE EGETLTIRHD SLDRTSFVPG VLLAVRRIAE RPGLTVGLEP LLDLH 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.605 177.584 0.035 0.000 1.274 1 A CA 0.000 52.060 52.037 0.038 0.000 0.836 1 A CB 0.000 19.031 19.000 0.051 0.000 0.831 2 R N 0.722 121.245 120.500 0.038 0.000 2.234 2 R HA 0.538 4.878 4.340 -0.000 0.000 0.324 2 R C -0.947 175.378 176.300 0.042 0.000 1.054 2 R CA -0.378 55.742 56.100 0.034 0.000 0.912 2 R CB 1.246 31.563 30.300 0.029 0.000 1.030 2 R HN 0.401 nan 8.270 nan 0.000 0.455 3 V N 2.188 122.125 119.914 0.039 0.000 2.540 3 V HA 0.549 4.668 4.120 -0.000 0.000 0.302 3 V C 0.535 176.654 176.094 0.042 0.000 1.035 3 V CA -0.836 61.491 62.300 0.044 0.000 0.873 3 V CB 1.950 33.798 31.823 0.041 0.000 0.992 3 V HN 0.946 nan 8.190 nan 0.000 0.428 4 G N 2.578 111.408 108.800 0.049 0.000 2.441 4 G HA2 0.668 4.628 3.960 -0.000 0.000 0.334 4 G HA3 0.668 4.628 3.960 -0.000 0.000 0.334 4 G C -1.264 173.669 174.900 0.054 0.000 1.161 4 G CA -0.608 44.520 45.100 0.048 0.000 0.935 4 G HN 0.557 nan 8.290 nan 0.000 0.488 5 V N 1.411 121.356 119.914 0.052 0.000 2.487 5 V HA 0.427 4.547 4.120 -0.000 0.000 0.298 5 V C -0.157 175.975 176.094 0.064 0.000 1.028 5 V CA -0.583 61.758 62.300 0.069 0.000 0.860 5 V CB 1.481 33.345 31.823 0.069 0.000 0.991 5 V HN 0.570 nan 8.190 nan 0.000 0.427 6 L N 3.874 125.143 121.223 0.078 0.000 2.295 6 L HA 0.723 5.063 4.340 -0.000 0.000 0.285 6 L C 1.030 177.960 176.870 0.099 0.000 1.035 6 L CA 0.119 54.998 54.840 0.066 0.000 0.806 6 L CB 1.596 43.688 42.059 0.056 0.000 1.214 6 L HN 0.963 nan 8.230 nan 0.000 0.426 7 G N 2.324 111.172 108.800 0.080 0.000 2.165 7 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.226 7 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.226 7 G C 0.857 175.807 174.900 0.084 0.000 1.035 7 G CA 0.223 45.381 45.100 0.098 0.000 0.744 7 G HN 0.876 nan 8.290 nan 0.000 0.501 8 A N -0.403 122.451 122.820 0.058 0.000 2.024 8 A HA 0.051 4.370 4.320 -0.000 0.000 0.220 8 A C 2.106 179.707 177.584 0.029 0.000 1.164 8 A CA 2.071 54.134 52.037 0.043 0.000 0.643 8 A CB -0.217 18.801 19.000 0.030 0.000 0.806 8 A HN 0.565 nan 8.150 nan 0.000 0.451 9 K N -0.619 119.797 120.400 0.028 0.000 2.358 9 K HA 0.177 4.497 4.320 -0.000 0.000 0.197 9 K C 1.084 177.696 176.600 0.021 0.000 1.025 9 K CA 0.183 56.481 56.287 0.018 0.000 1.104 9 K CB 0.400 32.907 32.500 0.013 0.000 0.855 9 K HN 0.401 nan 8.250 nan 0.000 0.531 10 G N 1.124 109.944 108.800 0.034 0.000 2.651 10 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.260 10 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.260 10 G C 0.379 175.290 174.900 0.017 0.000 1.216 10 G CA -0.389 44.734 45.100 0.038 0.000 0.913 10 G HN 0.021 nan 8.290 nan 0.000 0.535 11 K N -0.967 119.443 120.400 0.017 0.000 2.032 11 K HA -0.109 4.211 4.320 -0.000 0.000 0.209 11 K C 2.476 179.057 176.600 -0.032 0.000 1.048 11 K CA 1.309 57.596 56.287 0.000 0.000 0.927 11 K CB -0.289 32.220 32.500 0.015 0.000 0.712 11 K HN 0.226 nan 8.250 nan 0.000 0.441 12 V N 0.218 120.086 119.914 -0.077 0.000 2.535 12 V HA -0.056 4.064 4.120 -0.000 0.000 0.246 12 V C 2.311 178.260 176.094 -0.242 0.000 1.045 12 V CA 1.820 63.972 62.300 -0.246 0.000 1.058 12 V CB -0.516 30.929 31.823 -0.630 0.000 0.689 12 V HN 0.463 nan 8.190 nan 0.000 0.461 13 G N 0.222 108.969 108.800 -0.089 0.000 2.440 13 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 13 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 13 G C 1.739 176.637 174.900 -0.004 0.000 1.154 13 G CA 1.133 46.242 45.100 0.014 0.000 0.767 13 G HN 0.583 nan 8.290 nan 0.000 0.552 14 A N 0.166 122.978 122.820 -0.012 0.000 1.930 14 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 14 A C 2.518 180.088 177.584 -0.022 0.000 1.175 14 A CA 2.330 54.361 52.037 -0.010 0.000 0.627 14 A CB -0.831 18.164 19.000 -0.008 0.000 0.815 14 A HN 0.290 nan 8.150 nan 0.000 0.443 15 T N 0.167 114.694 114.554 -0.044 0.000 2.746 15 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 15 T C 1.947 176.619 174.700 -0.046 0.000 1.039 15 T CA 1.664 63.734 62.100 -0.051 0.000 1.142 15 T CB -0.240 68.584 68.868 -0.073 0.000 0.866 15 T HN 0.311 nan 8.240 nan 0.000 0.444 16 M N 0.674 120.241 119.600 -0.055 0.000 2.156 16 M HA 0.027 4.506 4.480 -0.000 0.000 0.264 16 M C 2.531 178.832 176.300 0.002 0.000 1.067 16 M CA 0.852 56.137 55.300 -0.025 0.000 1.131 16 M CB -1.411 31.190 32.600 0.002 0.000 1.368 16 M HN 0.123 nan 8.290 nan 0.000 0.416 17 V N 0.735 120.653 119.914 0.008 0.000 2.250 17 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 17 V C 2.566 178.662 176.094 0.005 0.000 1.060 17 V CA 1.993 64.300 62.300 0.012 0.000 1.030 17 V CB -0.759 31.071 31.823 0.012 0.000 0.643 17 V HN 0.450 nan 8.190 nan 0.000 0.445 18 R N -0.285 120.213 120.500 -0.002 0.000 2.103 18 R HA -0.188 4.152 4.340 -0.000 0.000 0.242 18 R C 2.383 178.680 176.300 -0.004 0.000 1.142 18 R CA 1.654 57.751 56.100 -0.004 0.000 0.960 18 R CB -0.603 29.691 30.300 -0.010 0.000 0.858 18 R HN 0.578 nan 8.270 nan 0.000 0.439 19 A N 0.344 123.160 122.820 -0.006 0.000 1.929 19 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 19 A C 2.314 179.900 177.584 0.002 0.000 1.176 19 A CA 1.070 53.105 52.037 -0.004 0.000 0.628 19 A CB -0.301 18.694 19.000 -0.009 0.000 0.816 19 A HN 0.119 nan 8.150 nan 0.000 0.444 20 V N -0.074 119.844 119.914 0.006 0.000 2.427 20 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 20 V C 3.028 179.128 176.094 0.011 0.000 1.051 20 V CA 1.812 64.119 62.300 0.012 0.000 1.048 20 V CB -1.169 30.665 31.823 0.018 0.000 0.666 20 V HN 0.601 nan 8.190 nan 0.000 0.456 21 A N 0.162 122.987 122.820 0.009 0.000 1.877 21 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 21 A C 2.388 179.975 177.584 0.006 0.000 1.186 21 A CA 2.058 54.099 52.037 0.007 0.000 0.620 21 A CB -0.794 18.209 19.000 0.006 0.000 0.822 21 A HN 0.567 nan 8.150 nan 0.000 0.443 22 A N -0.415 122.408 122.820 0.004 0.000 2.066 22 A HA 0.447 4.767 4.320 -0.000 0.000 0.218 22 A C 1.490 179.077 177.584 0.004 0.000 1.157 22 A CA 0.939 52.978 52.037 0.003 0.000 0.670 22 A CB -0.884 18.116 19.000 0.000 0.000 0.804 22 A HN 1.109 nan 8.150 nan 0.000 0.453 23 A N 0.670 123.494 122.820 0.006 0.000 2.444 23 A HA 0.352 4.671 4.320 -0.000 0.000 0.273 23 A C 0.358 177.947 177.584 0.008 0.000 1.136 23 A CA -0.128 51.913 52.037 0.007 0.000 0.799 23 A CB 0.064 19.069 19.000 0.009 0.000 1.081 23 A HN 0.317 nan 8.150 nan 0.000 0.509 24 D N 1.547 121.951 120.400 0.008 0.000 2.310 24 D HA -0.127 4.513 4.640 -0.000 0.000 0.212 24 D C 1.060 177.366 176.300 0.009 0.000 0.965 24 D CA 1.488 55.493 54.000 0.008 0.000 0.879 24 D CB 0.137 40.941 40.800 0.007 0.000 0.921 24 D HN 0.810 nan 8.370 nan 0.000 0.510 25 D N -0.121 120.285 120.400 0.010 0.000 2.350 25 D HA -0.048 4.592 4.640 -0.000 0.000 0.213 25 D C 0.610 176.918 176.300 0.014 0.000 1.031 25 D CA 0.063 54.070 54.000 0.012 0.000 0.861 25 D CB 0.404 41.211 40.800 0.011 0.000 0.926 25 D HN 0.181 nan 8.370 nan 0.000 0.520 26 L N 0.422 121.653 121.223 0.014 0.000 2.346 26 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 26 L C -0.486 176.394 176.870 0.017 0.000 1.007 26 L CA -0.669 54.182 54.840 0.018 0.000 0.818 26 L CB 2.358 44.427 42.059 0.018 0.000 1.284 26 L HN -0.304 nan 8.230 nan 0.000 0.424 27 T N 3.369 117.935 114.554 0.020 0.000 2.788 27 T HA 0.321 4.671 4.350 -0.000 0.000 0.296 27 T C -0.295 174.417 174.700 0.020 0.000 1.009 27 T CA -0.397 61.714 62.100 0.018 0.000 0.949 27 T CB 1.120 69.998 68.868 0.017 0.000 0.946 27 T HN 0.259 nan 8.240 nan 0.000 0.453 28 L N 4.608 125.842 121.223 0.019 0.000 2.562 28 L HA 0.206 4.546 4.340 -0.000 0.000 0.271 28 L C 1.226 178.108 176.870 0.020 0.000 1.167 28 L CA 0.820 55.672 54.840 0.020 0.000 0.917 28 L CB 0.380 42.449 42.059 0.017 0.000 1.187 28 L HN 0.729 nan 8.230 nan 0.000 0.482 29 S N 2.977 118.691 115.700 0.024 0.000 2.526 29 S HA 0.703 5.173 4.470 -0.000 0.000 0.220 29 S C 0.370 174.984 174.600 0.023 0.000 1.017 29 S CA 0.127 58.341 58.200 0.023 0.000 0.930 29 S CB 0.348 63.563 63.200 0.026 0.000 0.856 29 S HN 0.942 nan 8.310 nan 0.000 0.497 30 A N 0.775 123.609 122.820 0.024 0.000 2.582 30 A HA 0.681 5.001 4.320 -0.000 0.000 0.297 30 A C -1.698 175.899 177.584 0.021 0.000 1.059 30 A CA -0.697 51.352 52.037 0.021 0.000 0.705 30 A CB 1.078 20.093 19.000 0.025 0.000 1.279 30 A HN 0.233 nan 8.150 nan 0.000 0.404 31 E N 1.274 121.483 120.200 0.015 0.000 2.325 31 E HA 0.503 4.853 4.350 -0.000 0.000 0.248 31 E C -1.646 174.959 176.600 0.008 0.000 0.912 31 E CA -0.396 56.014 56.400 0.016 0.000 0.782 31 E CB 1.747 31.456 29.700 0.014 0.000 1.264 31 E HN 0.440 nan 8.360 nan 0.000 0.417 32 L N 2.432 123.660 121.223 0.009 0.000 2.329 32 L HA 0.487 4.827 4.340 -0.000 0.000 0.279 32 L C -0.161 176.711 176.870 0.004 0.000 1.014 32 L CA -0.147 54.690 54.840 -0.005 0.000 0.814 32 L CB 1.623 43.667 42.059 -0.024 0.000 1.257 32 L HN 0.480 nan 8.230 nan 0.000 0.424 33 D N 0.663 121.061 120.400 -0.003 0.000 2.808 33 D HA 0.732 5.371 4.640 -0.000 0.000 0.249 33 D C -0.677 175.618 176.300 -0.009 0.000 1.151 33 D CA -0.510 53.492 54.000 0.004 0.000 1.089 33 D CB 1.251 42.056 40.800 0.008 0.000 1.295 33 D HN 0.656 nan 8.370 nan 0.000 0.631 34 A N -0.862 121.954 122.820 -0.007 0.000 2.548 34 A HA 0.446 4.766 4.320 -0.000 0.000 0.247 34 A C 1.177 178.747 177.584 -0.023 0.000 1.067 34 A CA 0.957 52.984 52.037 -0.017 0.000 0.757 34 A CB -0.946 18.044 19.000 -0.016 0.000 0.996 34 A HN 1.093 nan 8.150 nan 0.000 0.504 35 G N 2.105 110.886 108.800 -0.032 0.000 2.176 35 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.253 35 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.253 35 G C -0.107 174.769 174.900 -0.040 0.000 0.979 35 G CA 0.311 45.391 45.100 -0.034 0.000 0.641 35 G HN 0.822 nan 8.290 nan 0.000 0.530 36 D N 2.233 122.606 120.400 -0.044 0.000 2.264 36 D HA 0.453 5.093 4.640 -0.000 0.000 0.250 36 D C -1.693 174.556 176.300 -0.085 0.000 1.113 36 D CA -0.780 53.188 54.000 -0.053 0.000 0.871 36 D CB 1.614 42.387 40.800 -0.045 0.000 1.167 36 D HN 0.229 nan 8.370 nan 0.000 0.447 37 P HA 0.133 nan 4.420 nan 0.000 0.275 37 P C 0.925 178.098 177.300 -0.212 0.000 1.228 37 P CA -0.416 62.604 63.100 -0.134 0.000 0.786 37 P CB 1.339 32.984 31.700 -0.091 0.000 0.927 38 L N 1.685 122.673 121.223 -0.393 0.000 2.353 38 L HA -0.172 4.168 4.340 -0.000 0.000 0.220 38 L C 2.538 179.094 176.870 -0.524 0.000 1.133 38 L CA 1.629 56.041 54.840 -0.713 0.000 0.798 38 L CB -0.827 40.292 42.059 -1.565 0.000 0.922 38 L HN 0.470 nan 8.230 nan 0.000 0.445 39 S N -0.110 115.446 115.700 -0.241 0.000 2.440 39 S HA -0.186 4.284 4.470 -0.000 0.000 0.238 39 S C 1.875 176.489 174.600 0.024 0.000 1.010 39 S CA 0.892 59.102 58.200 0.017 0.000 0.972 39 S CB -0.586 62.625 63.200 0.018 0.000 0.774 39 S HN 0.445 nan 8.310 nan 0.000 0.501 40 L N 0.303 121.506 121.223 -0.033 0.000 2.191 40 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 40 L C 2.477 179.360 176.870 0.022 0.000 1.103 40 L CA 0.981 55.816 54.840 -0.009 0.000 0.769 40 L CB -0.491 41.552 42.059 -0.028 0.000 0.908 40 L HN 0.358 nan 8.230 nan 0.000 0.438 41 L N -0.843 120.404 121.223 0.040 0.000 2.027 41 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 41 L C 2.745 179.680 176.870 0.109 0.000 1.074 41 L CA 1.904 56.798 54.840 0.090 0.000 0.745 41 L CB -0.918 41.239 42.059 0.164 0.000 0.898 41 L HN 0.402 nan 8.230 nan 0.000 0.433 42 T N -4.438 110.209 114.554 0.155 0.000 2.985 42 T HA -0.095 4.254 4.350 -0.000 0.000 0.266 42 T C 1.411 176.148 174.700 0.061 0.000 1.076 42 T CA 0.897 63.061 62.100 0.107 0.000 1.135 42 T CB -0.318 68.626 68.868 0.126 0.000 0.890 42 T HN 0.156 nan 8.240 nan 0.000 0.480 43 D N 2.070 122.504 120.400 0.056 0.000 2.144 43 D HA 0.024 4.664 4.640 -0.000 0.000 0.199 43 D C 2.249 178.565 176.300 0.026 0.000 0.984 43 D CA 1.312 55.332 54.000 0.033 0.000 0.834 43 D CB -0.828 39.987 40.800 0.025 0.000 0.955 43 D HN 0.596 nan 8.370 nan 0.000 0.465 44 G N -0.117 108.701 108.800 0.030 0.000 2.920 44 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.208 44 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.208 44 G C 0.180 175.094 174.900 0.024 0.000 1.159 44 G CA -0.024 45.091 45.100 0.025 0.000 0.784 44 G HN 0.293 nan 8.290 nan 0.000 0.535 45 N N -0.160 118.555 118.700 0.025 0.000 2.727 45 N HA -0.154 4.585 4.740 -0.000 0.000 0.249 45 N C -0.258 175.264 175.510 0.020 0.000 1.048 45 N CA 0.487 53.548 53.050 0.018 0.000 0.714 45 N CB -1.329 37.164 38.487 0.012 0.000 0.959 45 N HN 0.210 nan 8.380 nan 0.000 0.544 46 T N 0.060 114.632 114.554 0.030 0.000 2.916 46 T HA 0.030 4.380 4.350 -0.000 0.000 0.303 46 T C 1.337 176.049 174.700 0.020 0.000 1.025 46 T CA 0.225 62.346 62.100 0.035 0.000 1.142 46 T CB 1.125 70.024 68.868 0.053 0.000 0.947 46 T HN 0.218 nan 8.240 nan 0.000 0.544 47 E N 1.115 121.331 120.200 0.027 0.000 2.330 47 E HA 0.199 4.549 4.350 -0.000 0.000 0.200 47 E C -0.125 176.504 176.600 0.049 0.000 0.922 47 E CA 0.133 56.544 56.400 0.019 0.000 0.935 47 E CB 0.724 30.455 29.700 0.052 0.000 0.917 47 E HN 0.351 nan 8.360 nan 0.000 0.491 48 V N 1.012 120.976 119.914 0.083 0.000 2.888 48 V HA 0.374 4.494 4.120 -0.000 0.000 0.309 48 V C -0.758 175.387 176.094 0.086 0.000 1.114 48 V CA -0.990 61.381 62.300 0.119 0.000 0.940 48 V CB 2.258 34.160 31.823 0.131 0.000 1.021 48 V HN -0.212 nan 8.190 nan 0.000 0.426 49 V N 4.350 124.318 119.914 0.089 0.000 2.735 49 V HA 0.554 4.673 4.120 -0.000 0.000 0.310 49 V C -0.449 175.684 176.094 0.064 0.000 1.061 49 V CA -0.527 61.819 62.300 0.077 0.000 0.913 49 V CB 2.190 34.064 31.823 0.085 0.000 1.005 49 V HN 0.718 nan 8.190 nan 0.000 0.428 50 I N 3.707 124.314 120.570 0.061 0.000 2.315 50 I HA 0.368 4.537 4.170 -0.000 0.000 0.291 50 I C -0.418 175.737 176.117 0.063 0.000 1.006 50 I CA -0.071 61.261 61.300 0.054 0.000 1.265 50 I CB 1.192 39.256 38.000 0.106 0.000 1.387 50 I HN 0.562 nan 8.210 nan 0.000 0.475 51 D N 7.428 127.808 120.400 -0.033 0.000 2.440 51 D HA 0.309 4.948 4.640 -0.000 0.000 0.239 51 D C -1.359 174.819 176.300 -0.203 0.000 1.084 51 D CA -0.320 53.665 54.000 -0.024 0.000 0.843 51 D CB 1.047 41.855 40.800 0.013 0.000 1.097 51 D HN 0.256 nan 8.370 nan 0.000 0.531 52 F N 2.860 122.850 119.950 0.066 0.000 2.686 52 F HA 0.156 4.683 4.527 -0.000 0.000 0.365 52 F C 1.240 177.078 175.800 0.062 0.000 1.196 52 F CA -0.370 57.668 58.000 0.062 0.000 1.198 52 F CB 1.500 40.523 39.000 0.037 0.000 1.454 52 F HN 0.260 nan 8.300 nan 0.000 0.539 53 T N -2.426 112.230 114.554 0.170 0.000 2.638 53 T HA 0.343 4.693 4.350 -0.000 0.000 0.169 53 T C -0.489 174.316 174.700 0.175 0.000 0.790 53 T CA -0.136 62.057 62.100 0.154 0.000 1.151 53 T CB 0.702 69.639 68.868 0.116 0.000 2.581 53 T HN 0.314 nan 8.240 nan 0.000 0.391 54 H N 0.620 119.708 119.070 0.029 0.000 3.112 54 H HA 0.301 4.857 4.556 -0.000 0.000 0.347 54 H C -2.689 172.612 175.328 -0.045 0.000 1.188 54 H CA -1.383 54.664 56.048 -0.000 0.000 1.240 54 H CB 2.229 31.990 29.762 -0.002 0.000 1.920 54 H HN 0.063 nan 8.280 nan 0.000 0.535 55 P HA -0.122 nan 4.420 nan 0.000 0.218 55 P C 0.658 177.935 177.300 -0.038 0.000 1.146 55 P CA 1.243 64.186 63.100 -0.261 0.000 0.813 55 P CB 0.391 31.873 31.700 -0.363 0.000 0.778 56 D N -1.512 119.065 120.400 0.296 0.000 2.312 56 D HA -0.077 4.563 4.640 -0.000 0.000 0.211 56 D C 1.644 177.993 176.300 0.082 0.000 0.964 56 D CA 0.940 55.047 54.000 0.179 0.000 0.877 56 D CB -0.051 40.835 40.800 0.144 0.000 0.924 56 D HN 0.185 nan 8.370 nan 0.000 0.515 57 V N -3.072 116.896 119.914 0.091 0.000 3.548 57 V HA 0.203 4.323 4.120 -0.000 0.000 0.279 57 V C 1.816 177.946 176.094 0.061 0.000 1.446 57 V CA -0.107 62.227 62.300 0.056 0.000 1.023 57 V CB 0.220 32.069 31.823 0.044 0.000 0.820 57 V HN -0.023 nan 8.190 nan 0.000 0.438 58 V N 0.902 120.847 119.914 0.052 0.000 2.515 58 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 58 V C 2.512 178.708 176.094 0.169 0.000 1.058 58 V CA 2.579 64.935 62.300 0.093 0.000 1.064 58 V CB 0.018 31.882 31.823 0.067 0.000 0.675 58 V HN 0.475 nan 8.190 nan 0.000 0.461 59 M N 0.228 119.919 119.600 0.151 0.000 2.099 59 M HA -0.018 4.461 4.480 -0.000 0.000 0.262 59 M C 2.345 178.827 176.300 0.302 0.000 1.067 59 M CA 1.948 57.437 55.300 0.315 0.000 1.124 59 M CB -2.102 30.657 32.600 0.266 0.000 1.353 59 M HN 0.437 nan 8.290 nan 0.000 0.410 60 G N 0.733 109.627 108.800 0.156 0.000 2.418 60 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.217 60 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.217 60 G C 1.429 176.355 174.900 0.044 0.000 1.158 60 G CA 0.901 46.038 45.100 0.062 0.000 0.771 60 G HN 0.400 nan 8.290 nan 0.000 0.545 61 N N 0.636 119.379 118.700 0.071 0.000 2.043 61 N HA -0.076 4.664 4.740 -0.000 0.000 0.193 61 N C 2.226 177.820 175.510 0.139 0.000 1.037 61 N CA 0.803 53.902 53.050 0.082 0.000 0.851 61 N CB -0.610 37.925 38.487 0.080 0.000 1.027 61 N HN 0.292 nan 8.380 nan 0.000 0.422 62 L N 1.110 122.440 121.223 0.178 0.000 2.083 62 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 62 L C 2.462 179.372 176.870 0.066 0.000 1.083 62 L CA 1.136 56.108 54.840 0.220 0.000 0.752 62 L CB -0.315 41.988 42.059 0.408 0.000 0.899 62 L HN 0.300 nan 8.230 nan 0.000 0.433 63 E N -0.010 120.047 120.200 -0.238 0.000 2.058 63 E HA -0.309 4.041 4.350 -0.000 0.000 0.194 63 E C 2.147 178.546 176.600 -0.336 0.000 0.997 63 E CA 1.685 57.609 56.400 -0.793 0.000 0.801 63 E CB -0.203 28.835 29.700 -1.103 0.000 0.746 63 E HN 0.402 nan 8.360 nan 0.000 0.450 64 F N 1.090 120.888 119.950 -0.252 0.000 2.102 64 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 64 F C 1.899 177.632 175.800 -0.112 0.000 1.105 64 F CA 1.403 59.308 58.000 -0.158 0.000 1.239 64 F CB -0.101 38.839 39.000 -0.100 0.000 0.991 64 F HN 0.007 nan 8.300 nan 0.000 0.474 65 L N 0.005 121.309 121.223 0.135 0.000 2.017 65 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 65 L C 2.471 179.290 176.870 -0.086 0.000 1.073 65 L CA 1.570 56.444 54.840 0.057 0.000 0.745 65 L CB -0.789 41.349 42.059 0.132 0.000 0.894 65 L HN 0.173 nan 8.230 nan 0.000 0.432 66 I N 0.054 120.593 120.570 -0.053 0.000 2.179 66 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 66 I C 2.234 178.269 176.117 -0.135 0.000 1.088 66 I CA 1.661 62.934 61.300 -0.045 0.000 1.357 66 I CB -0.377 37.660 38.000 0.060 0.000 1.051 66 I HN 0.292 nan 8.210 nan 0.000 0.409 67 D N 0.855 121.117 120.400 -0.231 0.000 2.182 67 D HA -0.199 4.441 4.640 -0.000 0.000 0.201 67 D C 1.675 177.807 176.300 -0.280 0.000 0.986 67 D CA 1.273 55.119 54.000 -0.256 0.000 0.847 67 D CB -0.051 40.563 40.800 -0.309 0.000 0.942 67 D HN 0.250 nan 8.370 nan 0.000 0.467 68 N N -1.019 117.461 118.700 -0.368 0.000 2.280 68 N HA 0.115 4.855 4.740 -0.000 0.000 0.192 68 N C 0.879 176.250 175.510 -0.231 0.000 1.109 68 N CA 0.697 53.532 53.050 -0.358 0.000 0.855 68 N CB 1.073 39.212 38.487 -0.580 0.000 0.974 68 N HN 0.274 nan 8.380 nan 0.000 0.482 69 G N 1.643 110.328 108.800 -0.191 0.000 2.160 69 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.251 69 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.251 69 G C -0.049 174.701 174.900 -0.251 0.000 1.008 69 G CA -0.129 44.865 45.100 -0.177 0.000 0.724 69 G HN 0.304 nan 8.290 nan 0.000 0.514 70 I N 2.225 122.678 120.570 -0.196 0.000 2.315 70 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 70 I C 0.886 176.932 176.117 -0.120 0.000 1.006 70 I CA -1.200 59.994 61.300 -0.177 0.000 1.265 70 I CB 0.622 38.593 38.000 -0.048 0.000 1.387 70 I HN 0.077 nan 8.210 nan 0.000 0.475 71 H N 4.885 123.969 119.070 0.023 0.000 2.929 71 H HA 0.323 4.879 4.556 -0.000 0.000 0.358 71 H C 0.017 175.368 175.328 0.039 0.000 1.111 71 H CA -0.132 55.932 56.048 0.028 0.000 1.409 71 H CB 0.671 30.446 29.762 0.022 0.000 1.373 71 H HN 0.684 nan 8.280 nan 0.000 0.610 72 A N 2.469 125.395 122.820 0.176 0.000 2.398 72 A HA 0.492 4.812 4.320 -0.000 0.000 0.301 72 A C -0.843 176.791 177.584 0.083 0.000 1.041 72 A CA -0.639 51.467 52.037 0.114 0.000 0.711 72 A CB 1.329 20.395 19.000 0.110 0.000 1.240 72 A HN 0.399 nan 8.150 nan 0.000 0.420 73 V N 3.251 123.201 119.914 0.060 0.000 2.350 73 V HA 0.420 4.540 4.120 -0.000 0.000 0.285 73 V C -0.520 175.580 176.094 0.010 0.000 1.014 73 V CA -0.445 61.889 62.300 0.057 0.000 0.831 73 V CB 1.351 33.187 31.823 0.023 0.000 1.000 73 V HN 0.665 nan 8.190 nan 0.000 0.433 74 V N 4.027 123.969 119.914 0.047 0.000 2.384 74 V HA 0.524 4.643 4.120 -0.000 0.000 0.287 74 V C 1.138 177.235 176.094 0.004 0.000 1.020 74 V CA 0.161 62.438 62.300 -0.039 0.000 0.850 74 V CB 1.289 33.106 31.823 -0.010 0.000 0.987 74 V HN 0.853 nan 8.190 nan 0.000 0.436 75 G N 2.678 111.207 108.800 -0.452 0.000 2.719 75 G HA2 0.013 3.973 3.960 -0.000 0.000 0.211 75 G HA3 0.013 3.973 3.960 -0.000 0.000 0.211 75 G C 0.688 175.467 174.900 -0.201 0.000 1.140 75 G CA 0.122 44.984 45.100 -0.395 0.000 0.790 75 G HN 0.600 nan 8.290 nan 0.000 0.529 76 T N 2.167 116.612 114.554 -0.182 0.000 2.933 76 T HA 0.325 4.675 4.350 -0.000 0.000 0.306 76 T C 1.030 175.816 174.700 0.144 0.000 1.045 76 T CA 0.746 62.861 62.100 0.025 0.000 1.143 76 T CB 0.969 69.868 68.868 0.052 0.000 1.003 76 T HN 0.381 nan 8.240 nan 0.000 0.540 77 T N -0.311 114.258 114.554 0.025 0.000 2.902 77 T HA 0.625 4.975 4.350 -0.000 0.000 0.287 77 T C 1.409 176.007 174.700 -0.169 0.000 1.048 77 T CA -0.224 61.887 62.100 0.018 0.000 0.941 77 T CB 0.713 69.572 68.868 -0.014 0.000 1.432 77 T HN 1.110 nan 8.240 nan 0.000 0.586 78 G N -0.510 108.190 108.800 -0.165 0.000 2.159 78 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.256 78 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.256 78 G C -0.083 174.575 174.900 -0.403 0.000 0.977 78 G CA -0.279 44.652 45.100 -0.281 0.000 0.652 78 G HN 0.656 nan 8.290 nan 0.000 0.531 79 F N 2.457 122.249 119.950 -0.264 0.000 2.467 79 F HA 0.497 5.023 4.527 -0.000 0.000 0.362 79 F C 1.448 176.875 175.800 -0.622 0.000 1.090 79 F CA 0.826 58.505 58.000 -0.534 0.000 1.202 79 F CB 1.072 39.629 39.000 -0.738 0.000 1.113 79 F HN 0.213 nan 8.300 nan 0.000 0.541 80 T N -0.211 114.074 114.554 -0.450 0.000 2.938 80 T HA 0.640 4.990 4.350 -0.000 0.000 0.285 80 T C 1.006 175.522 174.700 -0.307 0.000 1.028 80 T CA -0.409 61.516 62.100 -0.292 0.000 1.005 80 T CB 1.616 70.377 68.868 -0.179 0.000 1.157 80 T HN 0.534 nan 8.240 nan 0.000 0.550 81 A N 0.345 123.137 122.820 -0.048 0.000 1.908 81 A HA -0.067 4.252 4.320 -0.000 0.000 0.218 81 A C 2.094 179.701 177.584 0.038 0.000 1.181 81 A CA 1.859 53.956 52.037 0.100 0.000 0.627 81 A CB -1.166 17.884 19.000 0.083 0.000 0.818 81 A HN 0.911 nan 8.150 nan 0.000 0.445 82 E N -0.234 119.943 120.200 -0.038 0.000 2.077 82 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 82 E C 2.239 178.785 176.600 -0.090 0.000 0.989 82 E CA 1.296 57.660 56.400 -0.059 0.000 0.800 82 E CB -0.215 29.443 29.700 -0.070 0.000 0.746 82 E HN 0.580 nan 8.360 nan 0.000 0.452 83 R N -0.523 119.898 120.500 -0.132 0.000 2.075 83 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 83 R C 2.249 178.544 176.300 -0.008 0.000 1.126 83 R CA 1.152 57.183 56.100 -0.114 0.000 0.963 83 R CB -0.369 29.846 30.300 -0.143 0.000 0.858 83 R HN 0.241 nan 8.270 nan 0.000 0.435 84 F N 1.300 121.281 119.950 0.051 0.000 2.134 84 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 84 F C 2.650 178.399 175.800 -0.085 0.000 1.097 84 F CA 1.017 59.002 58.000 -0.025 0.000 1.264 84 F CB -0.112 38.868 39.000 -0.033 0.000 1.001 84 F HN 0.085 nan 8.300 nan 0.000 0.479 85 Q N -0.218 119.641 119.800 0.098 0.000 2.124 85 Q HA -0.282 4.058 4.340 -0.000 0.000 0.202 85 Q C 2.068 177.988 176.000 -0.134 0.000 0.977 85 Q CA 1.653 57.448 55.803 -0.014 0.000 0.850 85 Q CB -0.253 28.470 28.738 -0.025 0.000 0.901 85 Q HN 0.324 nan 8.270 nan 0.000 0.429 86 Q N 0.346 120.003 119.800 -0.240 0.000 2.119 86 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 86 Q C 1.877 177.419 176.000 -0.764 0.000 0.972 86 Q CA 1.262 56.727 55.803 -0.563 0.000 0.847 86 Q CB -0.079 28.265 28.738 -0.657 0.000 0.903 86 Q HN 0.194 nan 8.270 nan 0.000 0.433 87 V N 1.262 120.952 119.914 -0.373 0.000 2.295 87 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 87 V C 2.159 178.248 176.094 -0.008 0.000 1.049 87 V CA 2.259 64.502 62.300 -0.095 0.000 1.024 87 V CB -0.624 31.258 31.823 0.099 0.000 0.648 87 V HN 0.454 nan 8.190 nan 0.000 0.447 88 E N 0.126 120.306 120.200 -0.034 0.000 2.110 88 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 88 E C 2.424 179.022 176.600 -0.004 0.000 0.988 88 E CA 1.566 57.961 56.400 -0.007 0.000 0.804 88 E CB -0.274 29.416 29.700 -0.017 0.000 0.745 88 E HN 0.545 nan 8.360 nan 0.000 0.458 89 S N 0.467 116.123 115.700 -0.074 0.000 2.370 89 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 89 S C 1.501 176.167 174.600 0.111 0.000 1.033 89 S CA 0.928 59.107 58.200 -0.035 0.000 1.011 89 S CB -0.236 62.889 63.200 -0.125 0.000 0.852 89 S HN 0.387 nan 8.310 nan 0.000 0.457 90 W N 1.480 122.800 121.300 0.033 0.000 2.388 90 W HA 0.144 4.804 4.660 -0.000 0.000 0.294 90 W C 1.877 178.406 176.519 0.017 0.000 1.212 90 W CA 0.116 57.477 57.345 0.026 0.000 1.271 90 W CB -1.243 28.239 29.460 0.037 0.000 1.126 90 W HN 0.296 nan 8.180 nan 0.000 0.535 91 L N -0.502 120.862 121.223 0.235 0.000 2.291 91 L HA -0.150 4.190 4.340 -0.000 0.000 0.214 91 L C 2.223 179.148 176.870 0.092 0.000 1.120 91 L CA 0.261 55.185 54.840 0.140 0.000 0.799 91 L CB -0.824 41.299 42.059 0.107 0.000 0.925 91 L HN -0.278 nan 8.230 nan 0.000 0.446 92 V N 0.331 120.297 119.914 0.087 0.000 2.380 92 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 92 V C 2.551 178.678 176.094 0.055 0.000 1.063 92 V CA 1.998 64.334 62.300 0.060 0.000 1.055 92 V CB -0.783 31.072 31.823 0.054 0.000 0.657 92 V HN 0.542 nan 8.190 nan 0.000 0.455 93 A N -1.430 121.432 122.820 0.069 0.000 2.208 93 A HA 0.031 4.351 4.320 -0.000 0.000 0.209 93 A C 1.143 178.742 177.584 0.026 0.000 1.161 93 A CA 0.660 52.725 52.037 0.045 0.000 0.782 93 A CB 0.035 19.065 19.000 0.049 0.000 0.816 93 A HN 0.397 nan 8.150 nan 0.000 0.477 94 K N 0.032 120.453 120.400 0.035 0.000 3.029 94 K HA 0.227 4.547 4.320 -0.000 0.000 0.169 94 K C -2.607 174.012 176.600 0.031 0.000 1.090 94 K CA -1.413 54.885 56.287 0.019 0.000 0.883 94 K CB 1.219 33.724 32.500 0.009 0.000 1.080 94 K HN 0.133 nan 8.250 nan 0.000 0.613 95 P HA -0.074 nan 4.420 nan 0.000 0.231 95 P C 0.193 177.516 177.300 0.039 0.000 1.158 95 P CA 0.972 64.091 63.100 0.031 0.000 0.763 95 P CB 0.198 31.911 31.700 0.021 0.000 0.805 96 N N -1.632 117.094 118.700 0.044 0.000 2.205 96 N HA 0.052 4.792 4.740 -0.000 0.000 0.201 96 N C -0.177 175.418 175.510 0.142 0.000 1.128 96 N CA 0.031 53.123 53.050 0.071 0.000 0.867 96 N CB 0.322 38.839 38.487 0.050 0.000 0.996 96 N HN -0.013 nan 8.380 nan 0.000 0.503 97 T N -0.004 114.617 114.554 0.111 0.000 2.882 97 T HA 0.389 4.739 4.350 -0.000 0.000 0.287 97 T C -0.099 174.735 174.700 0.224 0.000 0.992 97 T CA -0.244 61.955 62.100 0.166 0.000 1.076 97 T CB 1.748 70.642 68.868 0.044 0.000 0.961 97 T HN -0.187 nan 8.240 nan 0.000 0.490 98 S N 1.456 117.393 115.700 0.396 0.000 2.503 98 S HA 0.710 5.180 4.470 -0.000 0.000 0.301 98 S C -0.760 173.926 174.600 0.143 0.000 1.087 98 S CA -0.709 57.583 58.200 0.153 0.000 1.042 98 S CB 1.472 64.640 63.200 -0.052 0.000 1.043 98 S HN 0.484 nan 8.310 nan 0.000 0.489 99 V N 3.422 123.375 119.914 0.065 0.000 2.577 99 V HA 0.525 4.645 4.120 -0.000 0.000 0.303 99 V C -0.875 175.214 176.094 -0.009 0.000 1.042 99 V CA -0.602 61.727 62.300 0.048 0.000 0.872 99 V CB 1.680 33.539 31.823 0.060 0.000 0.998 99 V HN 0.779 nan 8.190 nan 0.000 0.423 100 L N 6.145 127.367 121.223 -0.003 0.000 2.349 100 L HA 0.683 5.023 4.340 -0.000 0.000 0.278 100 L C -1.083 175.768 176.870 -0.031 0.000 0.996 100 L CA -0.289 54.535 54.840 -0.026 0.000 0.825 100 L CB 1.280 43.351 42.059 0.021 0.000 1.243 100 L HN 0.582 nan 8.230 nan 0.000 0.412 101 I N 5.040 125.525 120.570 -0.142 0.000 2.389 101 I HA 0.609 4.779 4.170 -0.000 0.000 0.288 101 I C -0.199 175.763 176.117 -0.258 0.000 0.999 101 I CA -0.407 60.765 61.300 -0.214 0.000 1.129 101 I CB 1.875 39.650 38.000 -0.375 0.000 1.288 101 I HN 0.658 nan 8.210 nan 0.000 0.444 102 A N 7.748 130.327 122.820 -0.402 0.000 2.343 102 A HA 0.741 5.061 4.320 -0.000 0.000 0.308 102 A C -2.245 175.045 177.584 -0.489 0.000 1.092 102 A CA -1.398 50.251 52.037 -0.646 0.000 0.751 102 A CB 1.117 19.311 19.000 -1.345 0.000 1.203 102 A HN 0.508 nan 8.150 nan 0.000 0.452 103 P HA 0.019 nan 4.420 nan 0.000 0.227 103 P C -0.078 177.141 177.300 -0.136 0.000 1.161 103 P CA 0.899 63.932 63.100 -0.113 0.000 0.788 103 P CB 0.335 32.020 31.700 -0.025 0.000 0.822 104 N N -0.722 117.846 118.700 -0.219 0.000 2.533 104 N HA 0.168 4.908 4.740 -0.000 0.000 0.289 104 N C -0.811 174.616 175.510 -0.137 0.000 1.103 104 N CA -0.496 52.488 53.050 -0.109 0.000 0.877 104 N CB 0.547 39.027 38.487 -0.012 0.000 1.419 104 N HN -0.283 nan 8.380 nan 0.000 0.517 105 F N 1.075 121.074 119.950 0.082 0.000 2.765 105 F HA 0.377 4.903 4.527 -0.000 0.000 0.302 105 F C 1.375 177.364 175.800 0.314 0.000 1.111 105 F CA -0.204 57.902 58.000 0.177 0.000 1.359 105 F CB 0.192 39.317 39.000 0.208 0.000 1.097 105 F HN 0.471 nan 8.300 nan 0.000 0.577 106 A N 0.621 123.758 122.820 0.529 0.000 2.350 106 A HA 0.288 4.608 4.320 -0.000 0.000 0.293 106 A C 1.495 179.176 177.584 0.162 0.000 1.231 106 A CA -0.262 52.005 52.037 0.384 0.000 0.883 106 A CB -0.409 18.817 19.000 0.377 0.000 1.133 106 A HN 0.408 nan 8.150 nan 0.000 0.533 107 I N 2.782 123.434 120.570 0.136 0.000 2.248 107 I HA -0.296 3.873 4.170 -0.000 0.000 0.248 107 I C 2.538 178.632 176.117 -0.040 0.000 1.107 107 I CA 1.867 63.195 61.300 0.047 0.000 1.373 107 I CB -0.198 37.839 38.000 0.061 0.000 1.055 107 I HN 0.746 nan 8.210 nan 0.000 0.418 108 G N 0.077 108.863 108.800 -0.023 0.000 2.422 108 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 108 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 108 G C 1.817 176.410 174.900 -0.510 0.000 1.140 108 G CA 0.748 45.786 45.100 -0.104 0.000 0.775 108 G HN 0.506 nan 8.290 nan 0.000 0.545 109 A N 0.211 122.655 122.820 -0.626 0.000 1.897 109 A HA 0.163 4.483 4.320 -0.000 0.000 0.215 109 A C 2.574 179.996 177.584 -0.269 0.000 1.181 109 A CA 1.586 53.269 52.037 -0.590 0.000 0.620 109 A CB -0.517 18.334 19.000 -0.247 0.000 0.821 109 A HN 0.214 nan 8.150 nan 0.000 0.443 110 V N 0.327 120.133 119.914 -0.181 0.000 2.295 110 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 110 V C 2.568 178.533 176.094 -0.216 0.000 1.049 110 V CA 1.911 64.123 62.300 -0.146 0.000 1.024 110 V CB -0.904 30.855 31.823 -0.107 0.000 0.648 110 V HN 0.549 nan 8.190 nan 0.000 0.447 111 L N 0.947 121.988 121.223 -0.304 0.000 2.012 111 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 111 L C 2.797 179.212 176.870 -0.757 0.000 1.073 111 L CA 2.125 56.601 54.840 -0.606 0.000 0.748 111 L CB -0.785 40.961 42.059 -0.522 0.000 0.891 111 L HN 0.585 nan 8.230 nan 0.000 0.431 112 S N -0.735 114.747 115.700 -0.362 0.000 2.402 112 S HA -0.252 4.217 4.470 -0.000 0.000 0.229 112 S C 1.944 176.526 174.600 -0.031 0.000 1.021 112 S CA 1.288 59.423 58.200 -0.109 0.000 0.974 112 S CB -0.385 62.819 63.200 0.007 0.000 0.800 112 S HN 0.278 nan 8.310 nan 0.000 0.484 113 M N 1.743 121.302 119.600 -0.068 0.000 2.086 113 M HA -0.032 4.447 4.480 -0.000 0.000 0.261 113 M C 2.011 178.339 176.300 0.047 0.000 1.067 113 M CA 2.089 57.394 55.300 0.009 0.000 1.116 113 M CB -0.992 31.604 32.600 -0.007 0.000 1.348 113 M HN 0.551 nan 8.290 nan 0.000 0.407 114 H N -0.460 118.532 119.070 -0.129 0.000 2.353 114 H HA -0.170 4.386 4.556 -0.000 0.000 0.298 114 H C 1.592 176.986 175.328 0.109 0.000 1.103 114 H CA 2.591 58.595 56.048 -0.074 0.000 1.293 114 H CB -0.549 29.093 29.762 -0.200 0.000 1.372 114 H HN 0.536 nan 8.280 nan 0.000 0.501 115 F N -0.397 119.563 119.950 0.017 0.000 2.186 115 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 115 F C 2.832 178.648 175.800 0.026 0.000 1.090 115 F CA 0.147 58.133 58.000 -0.024 0.000 1.307 115 F CB -0.303 38.740 39.000 0.072 0.000 1.019 115 F HN 0.332 nan 8.300 nan 0.000 0.489 116 A N 0.463 123.465 122.820 0.304 0.000 1.908 116 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 116 A C 2.286 180.007 177.584 0.227 0.000 1.181 116 A CA 1.700 53.965 52.037 0.379 0.000 0.627 116 A CB -0.679 18.519 19.000 0.330 0.000 0.818 116 A HN 0.206 nan 8.150 nan 0.000 0.445 117 K N -0.152 120.319 120.400 0.119 0.000 2.063 117 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 117 K C 2.017 178.615 176.600 -0.003 0.000 1.048 117 K CA 1.988 58.306 56.287 0.051 0.000 0.928 117 K CB -0.299 32.222 32.500 0.036 0.000 0.713 117 K HN 0.679 nan 8.250 nan 0.000 0.442 118 Q N -0.706 119.071 119.800 -0.040 0.000 2.230 118 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 118 Q C 1.909 177.954 176.000 0.074 0.000 0.963 118 Q CA 1.070 56.867 55.803 -0.010 0.000 0.866 118 Q CB 0.093 28.786 28.738 -0.074 0.000 0.931 118 Q HN 0.392 nan 8.270 nan 0.000 0.452 119 A N 0.681 123.476 122.820 -0.042 0.000 2.021 119 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 119 A C 2.230 179.645 177.584 -0.282 0.000 1.163 119 A CA 0.911 52.869 52.037 -0.132 0.000 0.676 119 A CB -0.319 18.403 19.000 -0.463 0.000 0.818 119 A HN 0.328 nan 8.150 nan 0.000 0.453 120 A N 0.574 123.193 122.820 -0.335 0.000 1.940 120 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 120 A C 2.127 179.615 177.584 -0.159 0.000 1.176 120 A CA 1.547 53.464 52.037 -0.200 0.000 0.631 120 A CB -0.457 18.576 19.000 0.055 0.000 0.814 120 A HN 0.535 nan 8.150 nan 0.000 0.446 121 R N -1.904 118.360 120.500 -0.393 0.000 2.307 121 R HA 0.054 4.394 4.340 -0.000 0.000 0.199 121 R C 0.040 175.875 176.300 -0.776 0.000 1.000 121 R CA 0.685 56.390 56.100 -0.658 0.000 1.023 121 R CB -0.170 29.575 30.300 -0.925 0.000 0.908 121 R HN 0.626 nan 8.270 nan 0.000 0.473 122 F N -0.979 118.877 119.950 -0.157 0.000 2.698 122 F HA 0.319 4.846 4.527 -0.000 0.000 0.304 122 F C -0.174 175.213 175.800 -0.688 0.000 1.108 122 F CA -0.529 57.245 58.000 -0.376 0.000 1.263 122 F CB 0.534 39.261 39.000 -0.455 0.000 1.013 122 F HN -0.217 nan 8.300 nan 0.000 0.532 123 F N -0.507 119.465 119.950 0.037 0.000 2.599 123 F HA 0.339 4.866 4.527 -0.000 0.000 0.311 123 F C 0.824 176.671 175.800 0.079 0.000 1.076 123 F CA -1.128 56.924 58.000 0.086 0.000 0.937 123 F CB 1.103 40.198 39.000 0.159 0.000 1.282 123 F HN -0.315 nan 8.300 nan 0.000 0.460 124 D N 0.181 120.744 120.400 0.271 0.000 2.117 124 D HA -0.025 4.615 4.640 -0.000 0.000 0.198 124 D C 0.153 176.557 176.300 0.174 0.000 0.982 124 D CA 1.427 55.528 54.000 0.168 0.000 0.828 124 D CB 0.162 41.039 40.800 0.129 0.000 0.967 124 D HN 0.239 nan 8.370 nan 0.000 0.464 125 S N -0.969 114.863 115.700 0.220 0.000 2.536 125 S HA 0.797 5.267 4.470 -0.000 0.000 0.298 125 S C -0.700 174.012 174.600 0.187 0.000 1.083 125 S CA -0.784 57.511 58.200 0.158 0.000 0.995 125 S CB 2.600 65.861 63.200 0.101 0.000 1.058 125 S HN 0.192 nan 8.310 nan 0.000 0.488 126 A N 2.350 125.228 122.820 0.096 0.000 2.459 126 A HA 0.755 5.075 4.320 -0.000 0.000 0.296 126 A C -1.024 176.508 177.584 -0.087 0.000 1.039 126 A CA -0.751 51.266 52.037 -0.033 0.000 0.698 126 A CB 1.200 20.284 19.000 0.140 0.000 1.261 126 A HN 0.737 nan 8.150 nan 0.000 0.405 127 E N 0.511 120.603 120.200 -0.180 0.000 2.429 127 E HA 0.641 4.990 4.350 -0.000 0.000 0.276 127 E C -1.466 175.055 176.600 -0.132 0.000 0.953 127 E CA -1.030 55.313 56.400 -0.096 0.000 0.787 127 E CB 2.550 32.263 29.700 0.021 0.000 1.307 127 E HN 0.364 nan 8.360 nan 0.000 0.458 128 V N 1.958 121.839 119.914 -0.054 0.000 2.540 128 V HA 0.454 4.574 4.120 -0.000 0.000 0.302 128 V C -0.487 175.642 176.094 0.058 0.000 1.035 128 V CA -0.642 61.638 62.300 -0.033 0.000 0.873 128 V CB 1.383 33.187 31.823 -0.031 0.000 0.992 128 V HN 0.508 nan 8.190 nan 0.000 0.428 129 I N 4.621 125.229 120.570 0.063 0.000 2.378 129 I HA 0.559 4.729 4.170 -0.000 0.000 0.291 129 I C -0.258 175.906 176.117 0.079 0.000 0.992 129 I CA -0.475 60.883 61.300 0.097 0.000 1.154 129 I CB 1.835 39.869 38.000 0.057 0.000 1.315 129 I HN 0.814 nan 8.210 nan 0.000 0.448 130 E N 6.900 127.164 120.200 0.106 0.000 2.227 130 E HA 0.805 5.155 4.350 -0.000 0.000 0.268 130 E C -1.569 175.111 176.600 0.134 0.000 0.907 130 E CA -0.809 55.671 56.400 0.133 0.000 0.786 130 E CB 2.079 31.905 29.700 0.211 0.000 1.191 130 E HN 0.318 nan 8.360 nan 0.000 0.411 131 L N 2.311 123.574 121.223 0.068 0.000 2.439 131 L HA 0.523 4.862 4.340 -0.000 0.000 0.270 131 L C -1.077 175.755 176.870 -0.062 0.000 0.972 131 L CA -0.450 54.419 54.840 0.048 0.000 0.836 131 L CB 1.578 43.626 42.059 -0.019 0.000 1.255 131 L HN 0.661 nan 8.230 nan 0.000 0.404 132 H N -1.128 117.976 119.070 0.056 0.000 2.894 132 H HA 0.563 5.118 4.556 -0.000 0.000 0.368 132 H C -0.658 174.648 175.328 -0.038 0.000 1.181 132 H CA -0.977 55.072 56.048 0.003 0.000 1.146 132 H CB 1.203 30.855 29.762 -0.183 0.000 1.839 132 H HN 0.721 nan 8.280 nan 0.000 0.557 133 H N 0.215 119.428 119.070 0.238 0.000 2.998 133 H HA 0.029 4.585 4.556 -0.000 0.000 0.353 133 H C -2.031 173.347 175.328 0.083 0.000 1.099 133 H CA -1.405 54.738 56.048 0.157 0.000 1.393 133 H CB 0.227 30.118 29.762 0.216 0.000 1.343 133 H HN 0.385 nan 8.280 nan 0.000 0.609 134 P HA -0.049 nan 4.420 nan 0.000 0.253 134 P C -0.054 177.132 177.300 -0.190 0.000 1.281 134 P CA 0.774 63.799 63.100 -0.125 0.000 0.792 134 P CB 0.124 31.720 31.700 -0.174 0.000 1.193 135 H N -1.098 118.168 119.070 0.326 0.000 2.529 135 H HA 0.191 4.747 4.556 -0.000 0.000 0.277 135 H C 0.581 176.045 175.328 0.227 0.000 1.004 135 H CA -0.236 55.981 56.048 0.283 0.000 1.167 135 H CB 0.352 30.282 29.762 0.279 0.000 1.445 135 H HN 0.099 nan 8.280 nan 0.000 0.554 136 K N 1.634 122.071 120.400 0.061 0.000 2.383 136 K HA 0.220 4.540 4.320 -0.000 0.000 0.286 136 K C 0.977 177.563 176.600 -0.022 0.000 1.051 136 K CA 0.050 56.293 56.287 -0.074 0.000 0.974 136 K CB 0.822 33.108 32.500 -0.357 0.000 0.968 136 K HN 0.104 nan 8.250 nan 0.000 0.475 137 A N 4.014 126.840 122.820 0.010 0.000 1.970 137 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 137 A C -0.062 177.506 177.584 -0.026 0.000 1.170 137 A CA 1.188 53.229 52.037 0.006 0.000 0.645 137 A CB -0.387 18.627 19.000 0.023 0.000 0.816 137 A HN 0.848 nan 8.150 nan 0.000 0.447 138 D N -0.569 119.798 120.400 -0.056 0.000 2.217 138 D HA 0.571 5.210 4.640 -0.000 0.000 0.243 138 D C -0.699 175.548 176.300 -0.088 0.000 1.054 138 D CA -0.112 53.851 54.000 -0.061 0.000 0.838 138 D CB 1.589 42.357 40.800 -0.054 0.000 1.162 138 D HN 0.169 nan 8.370 nan 0.000 0.472 139 A N 3.105 125.890 122.820 -0.059 0.000 2.335 139 A HA 0.644 4.964 4.320 -0.000 0.000 0.304 139 A C -2.497 175.065 177.584 -0.036 0.000 1.118 139 A CA -1.090 50.917 52.037 -0.050 0.000 0.757 139 A CB 0.749 19.728 19.000 -0.034 0.000 1.188 139 A HN 0.496 nan 8.150 nan 0.000 0.460 140 P HA 0.453 nan 4.420 nan 0.000 0.276 140 P C 0.420 177.686 177.300 -0.056 0.000 1.261 140 P CA -0.417 62.664 63.100 -0.032 0.000 0.800 140 P CB 0.640 32.331 31.700 -0.015 0.000 1.066 141 S N -0.963 114.689 115.700 -0.080 0.000 2.572 141 S HA 0.147 4.616 4.470 -0.000 0.000 0.267 141 S C 1.628 176.209 174.600 -0.032 0.000 1.361 141 S CA 0.073 58.203 58.200 -0.116 0.000 1.009 141 S CB -0.047 63.063 63.200 -0.151 0.000 0.888 141 S HN 0.644 nan 8.310 nan 0.000 0.553 142 G N 0.816 109.602 108.800 -0.023 0.000 2.446 142 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 142 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 142 G C 1.304 176.218 174.900 0.023 0.000 1.168 142 G CA 1.274 46.375 45.100 0.001 0.000 0.771 142 G HN 0.767 nan 8.290 nan 0.000 0.551 143 T N 1.477 116.060 114.554 0.048 0.000 2.746 143 T HA 0.028 4.378 4.350 -0.000 0.000 0.267 143 T C 2.792 177.530 174.700 0.062 0.000 1.039 143 T CA 1.557 63.696 62.100 0.066 0.000 1.142 143 T CB -0.320 68.614 68.868 0.110 0.000 0.866 143 T HN 0.388 nan 8.240 nan 0.000 0.444 144 A N 1.302 124.163 122.820 0.068 0.000 1.897 144 A HA 0.268 4.588 4.320 -0.000 0.000 0.215 144 A C 2.639 180.239 177.584 0.026 0.000 1.181 144 A CA 1.630 53.701 52.037 0.056 0.000 0.620 144 A CB -1.049 17.991 19.000 0.067 0.000 0.821 144 A HN 0.487 nan 8.150 nan 0.000 0.443 145 A N -0.303 122.526 122.820 0.016 0.000 1.902 145 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 145 A C 2.274 179.865 177.584 0.012 0.000 1.181 145 A CA 1.719 53.758 52.037 0.004 0.000 0.623 145 A CB -0.504 18.495 19.000 -0.003 0.000 0.818 145 A HN 0.528 nan 8.150 nan 0.000 0.443 146 R N -0.802 119.709 120.500 0.019 0.000 2.075 146 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 146 R C 2.138 178.455 176.300 0.028 0.000 1.126 146 R CA 1.959 58.072 56.100 0.022 0.000 0.963 146 R CB -0.558 29.755 30.300 0.023 0.000 0.858 146 R HN 0.517 nan 8.270 nan 0.000 0.435 147 T N 0.602 115.176 114.554 0.034 0.000 2.746 147 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 147 T C 1.811 176.536 174.700 0.042 0.000 1.039 147 T CA 1.429 63.556 62.100 0.044 0.000 1.142 147 T CB -0.254 68.643 68.868 0.048 0.000 0.866 147 T HN 0.432 nan 8.240 nan 0.000 0.444 148 A N 1.388 124.222 122.820 0.024 0.000 1.930 148 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 148 A C 2.246 179.843 177.584 0.022 0.000 1.175 148 A CA 1.539 53.585 52.037 0.016 0.000 0.627 148 A CB -0.466 18.530 19.000 -0.007 0.000 0.815 148 A HN 0.430 nan 8.150 nan 0.000 0.443 149 K N -0.256 120.156 120.400 0.019 0.000 2.026 149 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 149 K C 1.939 178.555 176.600 0.027 0.000 1.048 149 K CA 1.332 57.630 56.287 0.019 0.000 0.929 149 K CB -0.311 32.198 32.500 0.014 0.000 0.713 149 K HN 0.468 nan 8.250 nan 0.000 0.439 150 L N 0.963 122.207 121.223 0.035 0.000 2.012 150 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 150 L C 2.446 179.350 176.870 0.056 0.000 1.073 150 L CA 1.290 56.156 54.840 0.043 0.000 0.748 150 L CB -0.296 41.793 42.059 0.050 0.000 0.891 150 L HN 0.261 nan 8.230 nan 0.000 0.431 151 I N -0.535 120.083 120.570 0.080 0.000 2.163 151 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 151 I C 2.746 178.910 176.117 0.078 0.000 1.085 151 I CA 1.278 62.647 61.300 0.116 0.000 1.347 151 I CB -0.471 37.625 38.000 0.160 0.000 1.044 151 I HN 0.240 nan 8.210 nan 0.000 0.408 152 A N 0.312 123.163 122.820 0.052 0.000 1.902 152 A HA -0.241 4.078 4.320 -0.000 0.000 0.217 152 A C 2.211 179.806 177.584 0.019 0.000 1.181 152 A CA 1.834 53.890 52.037 0.032 0.000 0.623 152 A CB -0.585 18.427 19.000 0.021 0.000 0.818 152 A HN 0.460 nan 8.150 nan 0.000 0.443 153 E N -0.373 119.838 120.200 0.018 0.000 2.047 153 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 153 E C 2.356 178.956 176.600 -0.000 0.000 0.987 153 E CA 0.864 57.269 56.400 0.008 0.000 0.799 153 E CB -0.309 29.398 29.700 0.011 0.000 0.752 153 E HN 0.605 nan 8.360 nan 0.000 0.449 154 A N 1.447 124.270 122.820 0.005 0.000 1.948 154 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 154 A C 1.924 179.479 177.584 -0.049 0.000 1.177 154 A CA 1.464 53.490 52.037 -0.018 0.000 0.636 154 A CB -0.430 18.566 19.000 -0.006 0.000 0.815 154 A HN 0.090 nan 8.150 nan 0.000 0.449 155 R N -0.374 120.110 120.500 -0.026 0.000 2.335 155 R HA 0.105 4.445 4.340 -0.000 0.000 0.223 155 R C 0.497 176.777 176.300 -0.035 0.000 0.940 155 R CA -0.053 56.023 56.100 -0.040 0.000 1.086 155 R CB -0.116 30.185 30.300 0.002 0.000 1.073 155 R HN 0.439 nan 8.270 nan 0.000 0.504 156 K N 0.688 121.071 120.400 -0.029 0.000 2.484 156 K HA -0.039 4.280 4.320 -0.000 0.000 0.280 156 K C 0.753 177.334 176.600 -0.031 0.000 1.013 156 K CA 1.158 57.431 56.287 -0.022 0.000 1.029 156 K CB 0.313 32.803 32.500 -0.017 0.000 0.902 156 K HN 0.321 nan 8.250 nan 0.000 0.481 157 G N 3.121 111.907 108.800 -0.023 0.000 2.217 157 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 157 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 157 G C -0.031 174.853 174.900 -0.027 0.000 0.990 157 G CA 0.146 45.232 45.100 -0.025 0.000 0.627 157 G HN 0.495 nan 8.290 nan 0.000 0.522 158 L N 0.978 122.182 121.223 -0.031 0.000 2.352 158 L HA 0.569 4.909 4.340 -0.000 0.000 0.269 158 L C -1.789 175.075 176.870 -0.011 0.000 1.034 158 L CA -2.262 52.560 54.840 -0.030 0.000 0.806 158 L CB 0.772 42.801 42.059 -0.050 0.000 1.244 158 L HN -0.122 nan 8.230 nan 0.000 0.447 159 P HA 0.132 nan 4.420 nan 0.000 0.268 159 P C -2.361 174.948 177.300 0.016 0.000 1.205 159 P CA -0.690 62.414 63.100 0.007 0.000 0.771 159 P CB -0.302 31.404 31.700 0.010 0.000 0.858 160 P HA 0.007 nan 4.420 nan 0.000 0.269 160 P C -0.384 176.936 177.300 0.033 0.000 1.217 160 P CA -0.059 63.055 63.100 0.022 0.000 0.783 160 P CB 0.359 32.069 31.700 0.016 0.000 0.898 161 N N 1.865 120.589 118.700 0.040 0.000 2.217 161 N HA -0.000 4.739 4.740 -0.000 0.000 0.268 161 N C -1.927 173.606 175.510 0.039 0.000 1.290 161 N CA -0.212 52.867 53.050 0.047 0.000 0.831 161 N CB -1.001 37.513 38.487 0.044 0.000 1.057 161 N HN 0.348 nan 8.380 nan 0.000 0.481 162 P HA 0.142 nan 4.420 nan 0.000 0.268 162 P C -0.680 176.640 177.300 0.032 0.000 1.204 162 P CA 0.232 63.354 63.100 0.035 0.000 0.768 162 P CB 0.644 32.368 31.700 0.040 0.000 0.842 163 D N 1.502 121.918 120.400 0.026 0.000 2.484 163 D HA 0.327 4.966 4.640 -0.000 0.000 0.206 163 D C -0.024 176.288 176.300 0.019 0.000 1.322 163 D CA -0.533 53.481 54.000 0.024 0.000 0.913 163 D CB 0.886 41.701 40.800 0.025 0.000 1.559 163 D HN 0.187 nan 8.370 nan 0.000 0.565 164 A N 2.524 125.355 122.820 0.018 0.000 2.251 164 A HA 0.202 4.521 4.320 -0.000 0.000 0.209 164 A C 0.832 178.424 177.584 0.013 0.000 1.187 164 A CA 0.127 52.173 52.037 0.015 0.000 0.823 164 A CB -0.266 18.742 19.000 0.014 0.000 0.846 164 A HN 0.467 nan 8.150 nan 0.000 0.486 165 T N 1.828 116.390 114.554 0.015 0.000 2.765 165 T HA 0.134 4.484 4.350 -0.000 0.000 0.275 165 T C 1.358 176.065 174.700 0.011 0.000 1.007 165 T CA 1.026 63.135 62.100 0.014 0.000 1.175 165 T CB 0.321 69.200 68.868 0.017 0.000 0.993 165 T HN 0.622 nan 8.240 nan 0.000 0.510 166 S N 0.761 116.466 115.700 0.009 0.000 2.589 166 S HA 0.178 4.648 4.470 -0.000 0.000 0.235 166 S C 0.729 175.333 174.600 0.007 0.000 1.051 166 S CA -0.249 57.956 58.200 0.008 0.000 0.978 166 S CB 0.425 63.629 63.200 0.007 0.000 0.929 166 S HN 0.776 nan 8.310 nan 0.000 0.523 167 T N 1.215 115.773 114.554 0.007 0.000 2.879 167 T HA 0.764 5.113 4.350 -0.000 0.000 0.290 167 T C -0.707 173.997 174.700 0.008 0.000 0.993 167 T CA -0.358 61.746 62.100 0.006 0.000 0.975 167 T CB 1.713 70.584 68.868 0.005 0.000 0.981 167 T HN 0.501 nan 8.240 nan 0.000 0.439 168 S N 3.019 118.723 115.700 0.008 0.000 2.550 168 S HA 0.675 5.145 4.470 -0.000 0.000 0.270 168 S C -0.715 173.890 174.600 0.009 0.000 1.145 168 S CA -1.212 56.994 58.200 0.010 0.000 0.852 168 S CB 0.938 64.147 63.200 0.014 0.000 1.119 168 S HN 0.795 nan 8.310 nan 0.000 0.465 169 L N 1.476 122.705 121.223 0.009 0.000 2.417 169 L HA 0.408 4.748 4.340 -0.000 0.000 0.268 169 L C -2.222 174.655 176.870 0.011 0.000 1.158 169 L CA -1.966 52.879 54.840 0.008 0.000 0.819 169 L CB -0.057 42.007 42.059 0.007 0.000 1.112 169 L HN 0.467 nan 8.230 nan 0.000 0.458 170 P HA 0.057 nan 4.420 nan 0.000 0.260 170 P C 0.690 177.998 177.300 0.013 0.000 1.185 170 P CA 0.731 63.837 63.100 0.009 0.000 0.763 170 P CB 0.632 32.335 31.700 0.006 0.000 0.776 171 G N 2.908 111.718 108.800 0.016 0.000 2.194 171 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.236 171 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.236 171 G C 1.197 176.125 174.900 0.047 0.000 0.987 171 G CA 0.416 45.530 45.100 0.023 0.000 0.635 171 G HN 0.654 nan 8.290 nan 0.000 0.520 172 A N 0.241 123.088 122.820 0.046 0.000 1.917 172 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 172 A C 2.117 179.776 177.584 0.126 0.000 1.182 172 A CA 2.029 54.103 52.037 0.062 0.000 0.633 172 A CB -0.304 18.718 19.000 0.036 0.000 0.819 172 A HN 0.346 nan 8.150 nan 0.000 0.448 173 R N -0.331 120.235 120.500 0.110 0.000 2.335 173 R HA 0.256 4.596 4.340 -0.000 0.000 0.223 173 R C 0.962 177.306 176.300 0.073 0.000 0.940 173 R CA 0.665 56.857 56.100 0.153 0.000 1.086 173 R CB -1.131 29.211 30.300 0.070 0.000 1.073 173 R HN 0.759 nan 8.270 nan 0.000 0.504 174 G N 0.333 109.154 108.800 0.036 0.000 2.760 174 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.246 174 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.246 174 G C -0.585 174.229 174.900 -0.144 0.000 1.359 174 G CA -0.469 44.515 45.100 -0.193 0.000 0.861 174 G HN 0.407 nan 8.290 nan 0.000 0.541 175 A N -0.129 122.595 122.820 -0.160 0.000 2.401 175 A HA 0.562 4.882 4.320 -0.000 0.000 0.259 175 A C 0.288 177.805 177.584 -0.111 0.000 1.103 175 A CA 0.887 52.864 52.037 -0.101 0.000 0.789 175 A CB 0.725 19.679 19.000 -0.076 0.000 1.035 175 A HN 1.305 nan 8.150 nan 0.000 0.491 176 D N 2.175 122.534 120.400 -0.070 0.000 2.339 176 D HA 0.371 5.011 4.640 -0.000 0.000 0.241 176 D C -0.800 175.475 176.300 -0.041 0.000 1.183 176 D CA 0.081 54.048 54.000 -0.055 0.000 0.859 176 D CB 0.692 41.471 40.800 -0.035 0.000 1.067 176 D HN 0.115 nan 8.370 nan 0.000 0.484 177 V N 4.930 124.820 119.914 -0.041 0.000 2.293 177 V HA 0.190 4.310 4.120 -0.000 0.000 0.275 177 V C -0.158 175.927 176.094 -0.015 0.000 1.021 177 V CA -0.811 61.474 62.300 -0.025 0.000 0.815 177 V CB 1.088 32.896 31.823 -0.024 0.000 1.025 177 V HN 0.681 nan 8.190 nan 0.000 0.448 178 D N 4.387 124.781 120.400 -0.010 0.000 2.737 178 D HA -0.214 4.426 4.640 -0.000 0.000 0.233 178 D C 1.334 177.633 176.300 -0.001 0.000 1.155 178 D CA 1.605 55.603 54.000 -0.004 0.000 0.667 178 D CB -1.099 39.702 40.800 0.001 0.000 1.060 178 D HN 1.330 nan 8.370 nan 0.000 0.427 179 G N -1.175 107.621 108.800 -0.006 0.000 2.176 179 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.253 179 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.253 179 G C 0.134 175.032 174.900 -0.003 0.000 0.979 179 G CA 0.174 45.273 45.100 -0.003 0.000 0.641 179 G HN 0.447 nan 8.290 nan 0.000 0.530 180 I N 1.629 122.191 120.570 -0.013 0.000 2.354 180 I HA 0.337 4.507 4.170 -0.000 0.000 0.286 180 I C -2.290 173.791 176.117 -0.060 0.000 1.007 180 I CA -3.138 58.150 61.300 -0.021 0.000 1.167 180 I CB 1.255 39.250 38.000 -0.008 0.000 1.320 180 I HN -0.184 nan 8.210 nan 0.000 0.458 181 P HA 0.108 nan 4.420 nan 0.000 0.267 181 P C -0.516 176.623 177.300 -0.268 0.000 1.205 181 P CA 0.064 63.052 63.100 -0.187 0.000 0.765 181 P CB 0.684 32.299 31.700 -0.142 0.000 0.828 182 V N 5.085 124.795 119.914 -0.341 0.000 2.407 182 V HA 0.273 4.393 4.120 -0.000 0.000 0.291 182 V C -0.051 175.834 176.094 -0.347 0.000 1.018 182 V CA -0.552 61.594 62.300 -0.256 0.000 0.842 182 V CB 1.024 32.781 31.823 -0.110 0.000 0.996 182 V HN 0.576 nan 8.190 nan 0.000 0.426 183 H N 3.384 122.451 119.070 -0.005 0.000 2.459 183 H HA 0.740 5.296 4.556 -0.000 0.000 0.332 183 H C -0.118 175.218 175.328 0.014 0.000 1.094 183 H CA -0.434 55.613 56.048 -0.001 0.000 1.224 183 H CB 2.288 32.044 29.762 -0.009 0.000 1.449 183 H HN 0.725 nan 8.280 nan 0.000 0.484 184 A N 3.880 126.769 122.820 0.115 0.000 2.310 184 A HA 0.455 4.775 4.320 -0.000 0.000 0.304 184 A C -0.405 177.223 177.584 0.074 0.000 1.231 184 A CA -0.628 51.461 52.037 0.087 0.000 0.799 184 A CB 0.543 19.570 19.000 0.045 0.000 1.162 184 A HN 0.420 nan 8.150 nan 0.000 0.486 185 V N 3.881 123.842 119.914 0.078 0.000 2.439 185 V HA 0.477 4.596 4.120 -0.000 0.000 0.282 185 V C -0.173 175.950 176.094 0.048 0.000 1.039 185 V CA -0.661 61.666 62.300 0.045 0.000 0.913 185 V CB 1.328 33.165 31.823 0.022 0.000 0.983 185 V HN 0.794 nan 8.190 nan 0.000 0.460 186 R N 4.529 125.041 120.500 0.021 0.000 2.337 186 R HA 0.657 4.997 4.340 -0.000 0.000 0.319 186 R C -1.337 174.962 176.300 -0.001 0.000 0.954 186 R CA -0.603 55.501 56.100 0.006 0.000 0.840 186 R CB 1.262 31.552 30.300 -0.017 0.000 1.164 186 R HN 0.583 nan 8.270 nan 0.000 0.472 187 L N 1.464 122.694 121.223 0.012 0.000 2.476 187 L HA 0.540 4.879 4.340 -0.000 0.000 0.269 187 L C -0.347 176.540 176.870 0.028 0.000 0.965 187 L CA -0.436 54.407 54.840 0.005 0.000 0.845 187 L CB 2.003 44.055 42.059 -0.011 0.000 1.259 187 L HN 0.765 nan 8.230 nan 0.000 0.403 188 A N 3.145 125.974 122.820 0.014 0.000 2.587 188 A HA 0.417 4.736 4.320 -0.000 0.000 0.233 188 A C 1.435 179.048 177.584 0.049 0.000 1.049 188 A CA 1.048 53.106 52.037 0.035 0.000 0.754 188 A CB -0.465 18.545 19.000 0.017 0.000 0.977 188 A HN 1.905 nan 8.150 nan 0.000 0.509 189 G N 0.791 109.639 108.800 0.079 0.000 2.253 189 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.251 189 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.251 189 G C 0.294 175.245 174.900 0.086 0.000 0.998 189 G CA 0.409 45.548 45.100 0.066 0.000 0.621 189 G HN 0.816 nan 8.290 nan 0.000 0.524 190 L N 0.078 121.369 121.223 0.112 0.000 2.468 190 L HA 0.576 4.915 4.340 -0.000 0.000 0.254 190 L C 1.724 178.781 176.870 0.312 0.000 1.171 190 L CA -0.484 54.470 54.840 0.191 0.000 0.809 190 L CB 1.120 43.247 42.059 0.113 0.000 1.155 190 L HN 0.030 nan 8.230 nan 0.000 0.473 191 V N -0.386 119.783 119.914 0.426 0.000 4.255 191 V HA 0.481 4.601 4.120 -0.000 0.000 0.186 191 V C -0.054 176.078 176.094 0.063 0.000 1.068 191 V CA 0.221 62.636 62.300 0.192 0.000 1.418 191 V CB 0.628 32.460 31.823 0.016 0.000 1.876 191 V HN 0.763 nan 8.190 nan 0.000 0.469 192 A N 0.212 122.759 122.820 -0.456 0.000 2.402 192 A HA 0.785 5.105 4.320 -0.000 0.000 0.291 192 A C -1.143 175.877 177.584 -0.940 0.000 1.051 192 A CA -0.332 51.347 52.037 -0.595 0.000 0.716 192 A CB 0.778 19.713 19.000 -0.108 0.000 1.223 192 A HN 0.681 nan 8.150 nan 0.000 0.425 193 H N 0.951 119.773 119.070 -0.414 0.000 2.974 193 H HA 0.578 5.134 4.556 -0.000 0.000 0.366 193 H C -1.249 174.003 175.328 -0.127 0.000 1.155 193 H CA -0.434 55.487 56.048 -0.212 0.000 1.186 193 H CB 2.171 31.831 29.762 -0.170 0.000 1.799 193 H HN 0.780 nan 8.280 nan 0.000 0.541 194 Q N 1.683 121.539 119.800 0.094 0.000 2.295 194 Q HA 0.272 4.612 4.340 -0.000 0.000 0.268 194 Q C -1.698 174.361 176.000 0.098 0.000 1.010 194 Q CA -0.505 55.359 55.803 0.103 0.000 0.856 194 Q CB 3.118 31.936 28.738 0.133 0.000 1.349 194 Q HN 0.749 nan 8.270 nan 0.000 0.412 195 E N 2.869 123.104 120.200 0.059 0.000 2.191 195 E HA 0.470 4.820 4.350 -0.000 0.000 0.263 195 E C -1.512 175.076 176.600 -0.020 0.000 0.881 195 E CA -0.686 55.731 56.400 0.029 0.000 0.757 195 E CB 1.854 31.560 29.700 0.010 0.000 1.147 195 E HN 0.417 nan 8.360 nan 0.000 0.414 196 V N 5.437 125.321 119.914 -0.051 0.000 2.394 196 V HA 0.334 4.454 4.120 -0.000 0.000 0.282 196 V C -0.491 175.395 176.094 -0.347 0.000 1.031 196 V CA -0.697 61.480 62.300 -0.206 0.000 0.881 196 V CB 1.009 32.727 31.823 -0.175 0.000 0.982 196 V HN 0.570 nan 8.190 nan 0.000 0.451 197 L N 5.953 126.892 121.223 -0.474 0.000 2.322 197 L HA 0.639 4.978 4.340 -0.000 0.000 0.281 197 L C -0.626 175.822 176.870 -0.703 0.000 1.014 197 L CA 0.183 54.771 54.840 -0.419 0.000 0.815 197 L CB 1.226 43.159 42.059 -0.210 0.000 1.247 197 L HN 0.422 nan 8.230 nan 0.000 0.421 198 F N 0.792 120.589 119.950 -0.255 0.000 2.551 198 F HA 0.839 5.365 4.527 -0.000 0.000 0.316 198 F C 0.626 176.150 175.800 -0.460 0.000 1.089 198 F CA -0.722 57.018 58.000 -0.433 0.000 0.915 198 F CB 2.546 40.993 39.000 -0.921 0.000 1.186 198 F HN 0.482 nan 8.300 nan 0.000 0.456 199 G N 0.763 109.571 108.800 0.014 0.000 2.733 199 G HA2 0.646 4.606 3.960 -0.000 0.000 0.297 199 G HA3 0.646 4.606 3.960 -0.000 0.000 0.297 199 G C -1.690 173.409 174.900 0.331 0.000 1.422 199 G CA -0.691 44.489 45.100 0.134 0.000 0.942 199 G HN 0.537 nan 8.290 nan 0.000 0.510 200 T N 0.150 114.906 114.554 0.336 0.000 2.883 200 T HA 0.389 4.739 4.350 -0.000 0.000 0.301 200 T C -0.383 174.408 174.700 0.152 0.000 1.158 200 T CA -0.729 61.511 62.100 0.233 0.000 1.007 200 T CB 2.277 71.275 68.868 0.216 0.000 1.186 200 T HN 0.646 nan 8.240 nan 0.000 0.499 201 E N 0.368 120.629 120.200 0.101 0.000 2.765 201 E HA 0.186 4.536 4.350 -0.000 0.000 0.256 201 E C 1.221 177.866 176.600 0.074 0.000 0.935 201 E CA 1.535 57.979 56.400 0.073 0.000 0.954 201 E CB -0.157 29.574 29.700 0.052 0.000 0.908 201 E HN 1.006 nan 8.360 nan 0.000 0.500 202 G N 3.460 112.300 108.800 0.066 0.000 2.175 202 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.244 202 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.244 202 G C -0.169 174.779 174.900 0.079 0.000 0.982 202 G CA 0.483 45.620 45.100 0.061 0.000 0.641 202 G HN 0.718 nan 8.290 nan 0.000 0.527 203 E N -1.307 118.961 120.200 0.112 0.000 2.419 203 E HA 0.531 4.881 4.350 -0.000 0.000 0.285 203 E C -0.673 176.024 176.600 0.162 0.000 1.079 203 E CA -0.311 56.171 56.400 0.137 0.000 0.864 203 E CB 0.693 30.492 29.700 0.166 0.000 1.216 203 E HN 0.840 nan 8.360 nan 0.000 0.428 204 T N 0.367 114.977 114.554 0.094 0.000 2.906 204 T HA 0.732 5.082 4.350 -0.000 0.000 0.295 204 T C -1.175 173.503 174.700 -0.036 0.000 1.075 204 T CA -0.923 61.182 62.100 0.008 0.000 1.005 204 T CB 1.670 70.531 68.868 -0.012 0.000 1.136 204 T HN 0.533 nan 8.240 nan 0.000 0.498 205 L N 1.123 122.240 121.223 -0.178 0.000 2.410 205 L HA 0.798 5.138 4.340 -0.000 0.000 0.270 205 L C -0.942 175.902 176.870 -0.043 0.000 0.983 205 L CA -0.008 54.770 54.840 -0.103 0.000 0.822 205 L CB 2.387 44.342 42.059 -0.172 0.000 1.285 205 L HN 1.009 nan 8.230 nan 0.000 0.409 206 T N 5.841 120.399 114.554 0.007 0.000 2.881 206 T HA 0.666 5.016 4.350 -0.000 0.000 0.290 206 T C -0.734 174.004 174.700 0.063 0.000 1.000 206 T CA -0.114 61.990 62.100 0.006 0.000 0.978 206 T CB 1.221 70.079 68.868 -0.016 0.000 0.997 206 T HN 0.412 nan 8.240 nan 0.000 0.443 207 I N 2.876 123.498 120.570 0.087 0.000 2.410 207 I HA 0.535 4.705 4.170 -0.000 0.000 0.286 207 I C -0.113 176.077 176.117 0.122 0.000 1.009 207 I CA -0.739 60.648 61.300 0.144 0.000 1.111 207 I CB 1.494 39.634 38.000 0.234 0.000 1.262 207 I HN 0.292 nan 8.210 nan 0.000 0.443 208 R N 5.507 126.082 120.500 0.126 0.000 2.310 208 R HA 0.377 4.717 4.340 -0.000 0.000 0.324 208 R C -1.106 175.298 176.300 0.174 0.000 0.955 208 R CA -0.369 55.801 56.100 0.117 0.000 0.830 208 R CB 0.630 30.973 30.300 0.071 0.000 1.154 208 R HN 0.610 nan 8.270 nan 0.000 0.458 209 H N 3.793 122.905 119.070 0.071 0.000 2.476 209 H HA 0.318 4.874 4.556 -0.000 0.000 0.328 209 H C -1.217 174.139 175.328 0.046 0.000 1.073 209 H CA -0.647 55.437 56.048 0.058 0.000 1.229 209 H CB 1.282 31.074 29.762 0.050 0.000 1.432 209 H HN 0.653 nan 8.280 nan 0.000 0.477 210 D N 3.568 123.703 120.400 -0.440 0.000 2.408 210 D HA 0.059 4.699 4.640 -0.000 0.000 0.243 210 D C -0.742 175.177 176.300 -0.635 0.000 1.075 210 D CA -0.324 53.451 54.000 -0.374 0.000 0.832 210 D CB 2.212 42.998 40.800 -0.024 0.000 1.162 210 D HN 0.321 nan 8.370 nan 0.000 0.515 211 S N 2.848 118.160 115.700 -0.645 0.000 2.461 211 S HA 0.297 4.767 4.470 -0.000 0.000 0.322 211 S C 1.141 175.540 174.600 -0.335 0.000 1.063 211 S CA -0.609 57.330 58.200 -0.436 0.000 1.120 211 S CB 0.310 63.355 63.200 -0.258 0.000 0.968 211 S HN 0.378 nan 8.310 nan 0.000 0.467 212 L N 2.922 124.010 121.223 -0.224 0.000 2.408 212 L HA 0.405 4.745 4.340 -0.000 0.000 0.215 212 L C 0.793 177.591 176.870 -0.120 0.000 1.081 212 L CA 0.418 55.177 54.840 -0.135 0.000 0.840 212 L CB 0.090 42.101 42.059 -0.080 0.000 1.002 212 L HN 0.615 nan 8.230 nan 0.000 0.468 213 D N -1.141 119.154 120.400 -0.175 0.000 2.648 213 D HA 0.102 4.742 4.640 -0.000 0.000 0.244 213 D C 0.041 176.156 176.300 -0.309 0.000 1.244 213 D CA -0.511 53.386 54.000 -0.171 0.000 0.772 213 D CB 1.508 42.236 40.800 -0.120 0.000 1.379 213 D HN -0.169 nan 8.370 nan 0.000 0.428 214 R N -0.229 120.125 120.500 -0.243 0.000 2.280 214 R HA -0.002 4.338 4.340 -0.000 0.000 0.207 214 R C 1.832 177.958 176.300 -0.291 0.000 1.043 214 R CA 1.412 57.327 56.100 -0.309 0.000 1.006 214 R CB -0.131 30.175 30.300 0.010 0.000 0.885 214 R HN 0.525 nan 8.270 nan 0.000 0.467 215 T N -1.423 113.004 114.554 -0.210 0.000 3.007 215 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 215 T C 1.975 176.573 174.700 -0.171 0.000 1.107 215 T CA 1.241 63.257 62.100 -0.140 0.000 1.118 215 T CB -0.174 68.637 68.868 -0.094 0.000 0.889 215 T HN 0.238 nan 8.240 nan 0.000 0.506 216 S N 1.305 116.812 115.700 -0.321 0.000 2.419 216 S HA -0.045 4.424 4.470 -0.000 0.000 0.233 216 S C 1.625 176.121 174.600 -0.174 0.000 1.016 216 S CA 0.554 58.582 58.200 -0.287 0.000 0.974 216 S CB -1.209 61.758 63.200 -0.387 0.000 0.786 216 S HN 0.661 nan 8.310 nan 0.000 0.492 217 F N 1.142 121.116 119.950 0.039 0.000 2.558 217 F HA 0.115 4.642 4.527 -0.000 0.000 0.298 217 F C 2.399 178.206 175.800 0.012 0.000 1.119 217 F CA -0.015 58.027 58.000 0.070 0.000 1.451 217 F CB -0.352 38.671 39.000 0.038 0.000 1.091 217 F HN 0.077 nan 8.300 nan 0.000 0.563 218 V N 1.289 121.266 119.914 0.104 0.000 2.255 218 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 218 V C -0.337 175.782 176.094 0.042 0.000 1.051 218 V CA 2.063 64.386 62.300 0.037 0.000 1.018 218 V CB -1.631 30.192 31.823 -0.000 0.000 0.641 218 V HN 0.178 nan 8.190 nan 0.000 0.445 219 P HA -0.100 nan 4.420 nan 0.000 0.218 219 P C 1.670 179.021 177.300 0.085 0.000 1.148 219 P CA 1.774 64.909 63.100 0.058 0.000 0.822 219 P CB -0.314 31.420 31.700 0.057 0.000 0.784 220 G N -0.234 108.656 108.800 0.149 0.000 2.414 220 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 220 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 220 G C 1.639 176.635 174.900 0.160 0.000 1.188 220 G CA 0.715 45.963 45.100 0.248 0.000 0.783 220 G HN 0.130 nan 8.290 nan 0.000 0.537 221 V N 1.244 121.104 119.914 -0.090 0.000 2.255 221 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 221 V C 2.939 178.968 176.094 -0.108 0.000 1.051 221 V CA 1.621 63.703 62.300 -0.363 0.000 1.018 221 V CB -0.548 31.061 31.823 -0.357 0.000 0.641 221 V HN 0.339 nan 8.190 nan 0.000 0.445 222 L N -0.718 120.483 121.223 -0.037 0.000 2.131 222 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 222 L C 2.484 179.361 176.870 0.013 0.000 1.092 222 L CA 1.270 56.107 54.840 -0.005 0.000 0.759 222 L CB -0.678 41.384 42.059 0.005 0.000 0.903 222 L HN 0.365 nan 8.230 nan 0.000 0.435 223 L N 0.382 121.624 121.223 0.032 0.000 2.046 223 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 223 L C 2.635 179.530 176.870 0.041 0.000 1.077 223 L CA 1.949 56.813 54.840 0.041 0.000 0.747 223 L CB -0.548 41.546 42.059 0.059 0.000 0.896 223 L HN 0.125 nan 8.230 nan 0.000 0.432 224 A N -1.242 121.617 122.820 0.065 0.000 1.898 224 A HA -0.102 4.217 4.320 -0.000 0.000 0.216 224 A C 2.261 179.861 177.584 0.026 0.000 1.181 224 A CA 1.694 53.774 52.037 0.072 0.000 0.620 224 A CB -1.058 18.046 19.000 0.173 0.000 0.819 224 A HN 0.282 nan 8.150 nan 0.000 0.442 225 V N 0.116 120.037 119.914 0.011 0.000 2.287 225 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 225 V C 2.675 178.769 176.094 0.001 0.000 1.053 225 V CA 2.443 64.749 62.300 0.009 0.000 1.027 225 V CB -0.765 31.064 31.823 0.010 0.000 0.646 225 V HN 0.548 nan 8.190 nan 0.000 0.447 226 R N -0.526 119.975 120.500 0.003 0.000 2.115 226 R HA -0.002 4.338 4.340 -0.000 0.000 0.230 226 R C 2.150 178.441 176.300 -0.016 0.000 1.111 226 R CA 0.969 57.068 56.100 -0.001 0.000 0.976 226 R CB -0.155 30.148 30.300 0.005 0.000 0.870 226 R HN 0.442 nan 8.270 nan 0.000 0.445 227 R N -0.136 120.352 120.500 -0.019 0.000 2.362 227 R HA 0.092 4.432 4.340 -0.000 0.000 0.227 227 R C 1.510 177.771 176.300 -0.066 0.000 0.905 227 R CA -0.149 55.932 56.100 -0.032 0.000 1.067 227 R CB 0.115 30.406 30.300 -0.016 0.000 1.078 227 R HN 0.094 nan 8.270 nan 0.000 0.516 228 I N 1.535 122.050 120.570 -0.090 0.000 2.151 228 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 228 I C 1.925 177.892 176.117 -0.249 0.000 1.080 228 I CA 1.625 62.836 61.300 -0.148 0.000 1.339 228 I CB -0.111 37.800 38.000 -0.149 0.000 1.039 228 I HN 0.111 nan 8.210 nan 0.000 0.409 229 A N -0.731 121.898 122.820 -0.319 0.000 2.235 229 A HA -0.060 4.260 4.320 -0.000 0.000 0.208 229 A C 2.033 179.535 177.584 -0.136 0.000 1.172 229 A CA 0.790 52.635 52.037 -0.319 0.000 0.786 229 A CB -0.791 18.044 19.000 -0.275 0.000 0.804 229 A HN 0.590 nan 8.150 nan 0.000 0.479 230 E N -0.157 119.982 120.200 -0.101 0.000 2.152 230 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 230 E C 0.212 176.781 176.600 -0.050 0.000 0.983 230 E CA 0.598 56.962 56.400 -0.059 0.000 0.818 230 E CB 0.066 29.738 29.700 -0.047 0.000 0.758 230 E HN 0.496 nan 8.360 nan 0.000 0.467 231 R N 1.242 121.706 120.500 -0.060 0.000 2.371 231 R HA 0.280 4.620 4.340 -0.000 0.000 0.312 231 R C -2.618 173.658 176.300 -0.041 0.000 0.980 231 R CA -1.995 54.078 56.100 -0.046 0.000 0.867 231 R CB 1.398 31.668 30.300 -0.049 0.000 1.163 231 R HN -0.063 nan 8.270 nan 0.000 0.492 232 P HA 0.122 nan 4.420 nan 0.000 0.270 232 P C 0.571 177.872 177.300 0.003 0.000 1.223 232 P CA 0.387 63.489 63.100 0.005 0.000 0.785 232 P CB 0.833 32.541 31.700 0.013 0.000 0.923 233 G N 0.427 109.241 108.800 0.023 0.000 2.642 233 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.231 233 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.231 233 G C -1.238 173.660 174.900 -0.003 0.000 1.338 233 G CA -0.326 44.783 45.100 0.015 0.000 0.883 233 G HN 0.712 nan 8.290 nan 0.000 0.570 234 L N 0.683 121.888 121.223 -0.029 0.000 2.276 234 L HA 0.738 5.078 4.340 -0.000 0.000 0.286 234 L C 0.573 177.374 176.870 -0.115 0.000 1.061 234 L CA 0.142 54.941 54.840 -0.068 0.000 0.807 234 L CB 1.394 43.403 42.059 -0.084 0.000 1.177 234 L HN 0.767 nan 8.230 nan 0.000 0.429 235 T N 4.662 119.139 114.554 -0.129 0.000 2.807 235 T HA 0.534 4.884 4.350 -0.000 0.000 0.279 235 T C -0.696 173.865 174.700 -0.232 0.000 0.993 235 T CA -0.392 61.614 62.100 -0.157 0.000 0.970 235 T CB 1.457 70.262 68.868 -0.106 0.000 0.950 235 T HN 0.346 nan 8.240 nan 0.000 0.441 236 V N 3.375 123.104 119.914 -0.309 0.000 2.350 236 V HA 0.805 4.925 4.120 -0.000 0.000 0.276 236 V C 0.696 176.631 176.094 -0.264 0.000 1.028 236 V CA 0.044 62.109 62.300 -0.392 0.000 0.860 236 V CB 0.456 31.876 31.823 -0.672 0.000 0.990 236 V HN 1.290 nan 8.190 nan 0.000 0.453 237 G N 3.634 112.289 108.800 -0.243 0.000 2.629 237 G HA2 -0.035 3.924 3.960 -0.000 0.000 0.686 237 G HA3 -0.035 3.924 3.960 -0.000 0.000 0.686 237 G C -0.328 174.464 174.900 -0.181 0.000 1.232 237 G CA -0.156 44.816 45.100 -0.213 0.000 0.803 237 G HN 0.759 nan 8.290 nan 0.000 0.638 238 L N 0.503 121.622 121.223 -0.173 0.000 2.375 238 L HA 0.326 4.666 4.340 -0.000 0.000 0.215 238 L C 2.434 179.259 176.870 -0.074 0.000 1.108 238 L CA 2.085 56.871 54.840 -0.089 0.000 0.830 238 L CB -0.402 41.623 42.059 -0.056 0.000 0.959 238 L HN 0.746 nan 8.230 nan 0.000 0.457 239 E N 0.385 120.523 120.200 -0.102 0.000 2.136 239 E HA -0.253 4.096 4.350 -0.000 0.000 0.208 239 E C -0.637 175.899 176.600 -0.106 0.000 1.035 239 E CA 2.443 58.773 56.400 -0.117 0.000 0.838 239 E CB -1.619 28.011 29.700 -0.116 0.000 0.748 239 E HN 0.412 nan 8.360 nan 0.000 0.459 240 P HA -0.113 nan 4.420 nan 0.000 0.220 240 P C 0.804 178.072 177.300 -0.054 0.000 1.148 240 P CA 1.049 64.106 63.100 -0.071 0.000 0.803 240 P CB 0.060 31.720 31.700 -0.068 0.000 0.782 241 L N -1.803 119.394 121.223 -0.042 0.000 2.492 241 L HA 0.033 4.373 4.340 -0.000 0.000 0.223 241 L C 1.922 178.778 176.870 -0.022 0.000 1.132 241 L CA 0.514 55.341 54.840 -0.022 0.000 0.850 241 L CB -0.594 41.467 42.059 0.004 0.000 0.966 241 L HN -0.006 nan 8.230 nan 0.000 0.454 242 L N -0.890 120.306 121.223 -0.044 0.000 2.509 242 L HA 0.050 4.390 4.340 -0.000 0.000 0.222 242 L C -0.116 176.725 176.870 -0.049 0.000 1.123 242 L CA -0.055 54.757 54.840 -0.048 0.000 0.856 242 L CB -0.291 41.719 42.059 -0.082 0.000 0.985 242 L HN 0.235 nan 8.230 nan 0.000 0.456 243 D N 0.920 121.288 120.400 -0.054 0.000 2.812 243 D HA -0.187 4.453 4.640 -0.000 0.000 0.237 243 D C 0.531 176.806 176.300 -0.042 0.000 1.162 243 D CA 0.659 54.635 54.000 -0.039 0.000 0.740 243 D CB -1.314 39.476 40.800 -0.016 0.000 1.000 243 D HN 0.288 nan 8.370 nan 0.000 0.416 244 L N -0.807 120.363 121.223 -0.089 0.000 2.628 244 L HA 0.166 4.505 4.340 -0.000 0.000 0.229 244 L C 1.540 178.405 176.870 -0.010 0.000 1.137 244 L CA 0.253 55.032 54.840 -0.102 0.000 0.909 244 L CB -0.250 41.568 42.059 -0.401 0.000 1.137 244 L HN 0.552 nan 8.230 nan 0.000 0.470 245 H N 0.000 119.069 119.070 -0.002 0.000 2.539 245 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 245 H CA 0.000 56.067 56.048 0.032 0.000 1.023 245 H CB 0.000 29.777 29.762 0.025 0.000 1.292 245 H HN 0.000 nan 8.280 nan 0.000 0.496