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 1lg9_1_A DATA FIRST_RESID 5 DATA SEQUENCE DPRPLHIRRQ GLDPADELLA AGALTRVTIG SGADAETHWM ATAHAVVRQV DATA SEQUENCE MGDHQQFSTR RXXXXXXXXX XXXXXXXXEL VGNLMDYDPP EHTRLRRKLT DATA SEQUENCE PGFTLRKMQR MAPYIEQIVN DRLDEMERAG SPADLIAFVA DKVPGAVLCE DATA SEQUENCE LVGVPRDDRD MFMKLCHGHL DASLSQKRRA ALGDKFSRYL LAMIARERKE DATA SEQUENCE PGEGMIGAVV AEYGDDATDE ELRGFCVQVM LAGDDNISGM IGLGVLAMLR DATA SEQUENCE HPEQIDAFRG DEQSAQRAVD ELIRYLTVPY SPTPRIARED LTLAGQEIKK DATA SEQUENCE GDSVICSLPA ANRDPALAPD VDRLDVTREP IPHVAFGHGV HHCLGAALAR DATA SEQUENCE LELRTVFTEL WRRFPALRLA DPAQDTEFRL TTPAYGLTEL MVAW 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.275 176.300 -0.042 0.000 2.045 5 D CA 0.000 53.977 54.000 -0.039 0.000 0.868 5 D CB 0.000 40.770 40.800 -0.050 0.000 0.688 6 P HA 0.214 nan 4.420 nan 0.000 0.257 6 P C 0.142 177.408 177.300 -0.057 0.000 1.241 6 P CA -0.141 62.933 63.100 -0.042 0.000 0.816 6 P CB 0.752 32.432 31.700 -0.035 0.000 1.150 7 R N 1.417 121.869 120.500 -0.080 0.000 2.641 7 R HA 0.328 4.669 4.340 0.001 0.000 0.269 7 R C -2.204 174.020 176.300 -0.127 0.000 1.074 7 R CA -1.695 54.333 56.100 -0.120 0.000 1.133 7 R CB -0.877 29.324 30.300 -0.166 0.000 1.029 7 R HN 0.066 nan 8.270 nan 0.000 0.488 8 P HA -0.087 nan 4.420 nan 0.000 0.268 8 P C 0.425 177.637 177.300 -0.146 0.000 1.208 8 P CA -0.169 62.869 63.100 -0.104 0.000 0.777 8 P CB 0.444 32.092 31.700 -0.088 0.000 0.875 9 L N 2.263 123.465 121.223 -0.034 0.000 2.127 9 L HA -0.189 4.152 4.340 0.001 0.000 0.211 9 L C 2.260 179.094 176.870 -0.061 0.000 1.089 9 L CA 1.824 56.640 54.840 -0.040 0.000 0.757 9 L CB -1.471 40.596 42.059 0.012 0.000 0.899 9 L HN 0.577 nan 8.230 nan 0.000 0.434 10 H N -2.234 116.781 119.070 -0.091 0.000 2.559 10 H HA 0.041 4.598 4.556 0.001 0.000 0.273 10 H C 1.694 176.950 175.328 -0.119 0.000 1.000 10 H CA 0.630 56.631 56.048 -0.078 0.000 1.195 10 H CB -0.023 29.705 29.762 -0.056 0.000 1.368 10 H HN 0.255 nan 8.280 nan 0.000 0.592 11 I N 1.300 121.467 120.570 -0.670 0.000 3.603 11 I HA 0.067 4.237 4.170 0.001 0.000 0.297 11 I C 0.655 176.484 176.117 -0.480 0.000 1.269 11 I CA 0.009 60.822 61.300 -0.812 0.000 1.361 11 I CB -0.343 37.158 38.000 -0.832 0.000 1.063 11 I HN 0.058 nan 8.210 nan 0.000 0.448 12 R N 2.249 122.575 120.500 -0.291 0.000 2.340 12 R HA 0.365 4.706 4.340 0.001 0.000 0.300 12 R C -0.082 176.083 176.300 -0.226 0.000 1.069 12 R CA -0.321 55.647 56.100 -0.219 0.000 0.984 12 R CB 1.038 31.244 30.300 -0.156 0.000 1.003 12 R HN 0.026 nan 8.270 nan 0.000 0.459 13 R N 1.772 122.096 120.500 -0.293 0.000 2.888 13 R HA 0.280 4.621 4.340 0.001 0.000 0.266 13 R C -0.781 175.372 176.300 -0.244 0.000 1.020 13 R CA -0.920 54.954 56.100 -0.377 0.000 0.963 13 R CB 1.887 31.684 30.300 -0.838 0.000 1.197 13 R HN 0.568 nan 8.270 nan 0.000 0.481 14 Q N 0.603 120.287 119.800 -0.193 0.000 2.490 14 Q HA 0.366 4.707 4.340 0.001 0.000 0.255 14 Q C 0.044 176.003 176.000 -0.069 0.000 0.997 14 Q CA 0.158 55.901 55.803 -0.100 0.000 0.709 14 Q CB 1.057 29.759 28.738 -0.060 0.000 1.255 14 Q HN 0.873 nan 8.270 nan 0.000 0.486 15 G N 2.460 111.217 108.800 -0.072 0.000 2.556 15 G HA2 -0.347 3.614 3.960 0.001 0.000 0.283 15 G HA3 -0.347 3.614 3.960 0.001 0.000 0.283 15 G C 0.402 175.314 174.900 0.019 0.000 1.177 15 G CA 0.252 45.400 45.100 0.081 0.000 0.978 15 G HN 0.605 nan 8.290 nan 0.000 0.554 16 L N 1.822 123.130 121.223 0.142 0.000 2.554 16 L HA 0.247 4.588 4.340 0.001 0.000 0.226 16 L C 0.516 177.306 176.870 -0.133 0.000 1.137 16 L CA 0.367 55.269 54.840 0.105 0.000 0.863 16 L CB -0.396 41.783 42.059 0.200 0.000 0.985 16 L HN 0.360 nan 8.230 nan 0.000 0.451 17 D N -0.098 120.219 120.400 -0.140 0.000 2.326 17 D HA 0.331 4.971 4.640 0.001 0.000 0.251 17 D C -2.396 173.784 176.300 -0.200 0.000 1.023 17 D CA -1.701 52.178 54.000 -0.202 0.000 0.966 17 D CB 0.923 41.651 40.800 -0.120 0.000 1.156 17 D HN -0.231 nan 8.370 nan 0.000 0.494 18 P HA 0.071 nan 4.420 nan 0.000 0.267 18 P C -0.635 176.592 177.300 -0.122 0.000 1.200 18 P CA -0.025 62.984 63.100 -0.151 0.000 0.772 18 P CB 0.373 32.010 31.700 -0.105 0.000 0.855 19 A N 2.540 125.289 122.820 -0.119 0.000 2.425 19 A HA 0.049 4.369 4.320 0.001 0.000 0.242 19 A C 1.269 178.819 177.584 -0.057 0.000 1.077 19 A CA -0.040 51.944 52.037 -0.088 0.000 0.781 19 A CB -0.184 18.761 19.000 -0.091 0.000 1.020 19 A HN 0.533 nan 8.150 nan 0.000 0.494 20 D N 0.745 121.120 120.400 -0.041 0.000 2.149 20 D HA -0.183 4.457 4.640 0.001 0.000 0.198 20 D C 1.917 178.204 176.300 -0.021 0.000 0.990 20 D CA 1.796 55.781 54.000 -0.025 0.000 0.839 20 D CB -0.044 40.747 40.800 -0.016 0.000 0.948 20 D HN 0.826 nan 8.370 nan 0.000 0.460 21 E N 1.007 121.192 120.200 -0.025 0.000 2.072 21 E HA -0.165 4.186 4.350 0.001 0.000 0.191 21 E C 2.351 178.942 176.600 -0.015 0.000 0.985 21 E CA 0.527 56.916 56.400 -0.018 0.000 0.801 21 E CB -0.769 28.918 29.700 -0.022 0.000 0.750 21 E HN 0.250 nan 8.360 nan 0.000 0.452 22 L N 1.244 122.453 121.223 -0.023 0.000 2.046 22 L HA -0.097 4.244 4.340 0.001 0.000 0.208 22 L C 2.418 179.285 176.870 -0.006 0.000 1.077 22 L CA 1.503 56.335 54.840 -0.013 0.000 0.747 22 L CB -0.577 41.467 42.059 -0.025 0.000 0.896 22 L HN 0.099 nan 8.230 nan 0.000 0.432 23 L N -0.544 120.671 121.223 -0.015 0.000 2.201 23 L HA -0.089 4.252 4.340 0.001 0.000 0.212 23 L C 2.288 179.158 176.870 -0.001 0.000 1.105 23 L CA 0.941 55.775 54.840 -0.009 0.000 0.775 23 L CB -0.628 41.421 42.059 -0.016 0.000 0.913 23 L HN 0.428 nan 8.230 nan 0.000 0.440 24 A N -0.444 122.376 122.820 -0.000 0.000 2.275 24 A HA 0.422 4.743 4.320 0.001 0.000 0.212 24 A C 1.213 178.804 177.584 0.010 0.000 1.201 24 A CA 0.354 52.393 52.037 0.005 0.000 0.843 24 A CB -0.243 18.758 19.000 0.002 0.000 0.873 24 A HN 0.258 nan 8.150 nan 0.000 0.492 25 A N -0.163 122.665 122.820 0.013 0.000 2.310 25 A HA 0.555 4.875 4.320 0.001 0.000 0.260 25 A C 0.998 178.600 177.584 0.029 0.000 1.112 25 A CA 0.163 52.213 52.037 0.022 0.000 0.804 25 A CB -0.454 18.562 19.000 0.026 0.000 1.081 25 A HN 0.799 nan 8.150 nan 0.000 0.499 26 G N -1.946 106.878 108.800 0.040 0.000 2.606 26 G HA2 0.468 4.428 3.960 0.001 0.000 0.252 26 G HA3 0.468 4.428 3.960 0.001 0.000 0.252 26 G C 1.114 176.042 174.900 0.048 0.000 1.206 26 G CA 0.259 45.387 45.100 0.046 0.000 0.861 26 G HN 1.425 nan 8.290 nan 0.000 0.561 27 A N 0.115 122.958 122.820 0.040 0.000 1.948 27 A HA 0.085 4.406 4.320 0.001 0.000 0.220 27 A C 0.898 178.504 177.584 0.036 0.000 1.177 27 A CA 1.531 53.586 52.037 0.030 0.000 0.636 27 A CB -0.280 18.731 19.000 0.019 0.000 0.815 27 A HN 1.115 nan 8.150 nan 0.000 0.449 28 L N -0.630 120.633 121.223 0.066 0.000 2.614 28 L HA 0.546 4.886 4.340 0.001 0.000 0.264 28 L C -0.483 176.530 176.870 0.239 0.000 0.940 28 L CA 0.738 55.646 54.840 0.113 0.000 0.903 28 L CB 1.804 43.873 42.059 0.015 0.000 1.306 28 L HN 0.378 nan 8.230 nan 0.000 0.410 29 T N 1.189 115.936 114.554 0.322 0.000 2.787 29 T HA 0.705 5.056 4.350 0.001 0.000 0.297 29 T C -0.569 174.248 174.700 0.194 0.000 1.221 29 T CA -1.139 61.144 62.100 0.305 0.000 1.006 29 T CB 1.503 70.454 68.868 0.138 0.000 1.328 29 T HN 0.645 nan 8.240 nan 0.000 0.509 30 R N 0.241 120.691 120.500 -0.082 0.000 2.457 30 R HA 0.793 5.134 4.340 0.001 0.000 0.284 30 R C -0.222 175.991 176.300 -0.146 0.000 1.024 30 R CA -0.881 55.019 56.100 -0.332 0.000 1.025 30 R CB 1.480 31.456 30.300 -0.540 0.000 1.063 30 R HN 0.750 nan 8.270 nan 0.000 0.493 31 V N -2.145 117.693 119.914 -0.127 0.000 3.188 31 V HA 0.638 4.759 4.120 0.001 0.000 0.305 31 V C -0.818 175.258 176.094 -0.031 0.000 1.232 31 V CA -0.737 61.538 62.300 -0.042 0.000 1.043 31 V CB 2.463 34.299 31.823 0.022 0.000 1.068 31 V HN 0.723 nan 8.190 nan 0.000 0.439 32 T N 3.723 118.274 114.554 -0.006 0.000 2.841 32 T HA 0.739 5.089 4.350 0.001 0.000 0.285 32 T C -0.572 174.156 174.700 0.047 0.000 0.991 32 T CA -0.085 62.014 62.100 -0.002 0.000 0.966 32 T CB 1.032 69.875 68.868 -0.042 0.000 0.962 32 T HN 1.159 nan 8.240 nan 0.000 0.438 33 I N 0.581 121.212 120.570 0.102 0.000 2.362 33 I HA 0.890 5.060 4.170 0.001 0.000 0.289 33 I C 0.407 176.556 176.117 0.053 0.000 0.994 33 I CA -0.093 61.261 61.300 0.091 0.000 1.158 33 I CB 0.955 39.038 38.000 0.139 0.000 1.315 33 I HN 0.898 nan 8.210 nan 0.000 0.451 34 G N 3.238 112.051 108.800 0.021 0.000 2.661 34 G HA2 0.154 4.115 3.960 0.001 0.000 0.685 34 G HA3 0.154 4.115 3.960 0.001 0.000 0.685 34 G C -0.847 174.050 174.900 -0.004 0.000 1.298 34 G CA -0.241 44.863 45.100 0.007 0.000 0.855 34 G HN 0.972 nan 8.290 nan 0.000 0.560 35 S N -1.203 114.492 115.700 -0.008 0.000 2.740 35 S HA 0.929 5.400 4.470 0.001 0.000 0.300 35 S C 1.345 175.937 174.600 -0.013 0.000 1.147 35 S CA 1.214 59.406 58.200 -0.013 0.000 0.871 35 S CB 1.060 64.252 63.200 -0.014 0.000 1.173 35 S HN 2.860 nan 8.310 nan 0.000 0.510 36 G N 1.851 110.642 108.800 -0.015 0.000 2.660 36 G HA2 -0.275 3.686 3.960 0.001 0.000 0.321 36 G HA3 -0.275 3.686 3.960 0.001 0.000 0.321 36 G C 1.029 175.919 174.900 -0.016 0.000 1.246 36 G CA 0.712 45.803 45.100 -0.015 0.000 1.000 36 G HN 1.697 nan 8.290 nan 0.000 0.550 37 A N -0.624 122.187 122.820 -0.014 0.000 2.238 37 A HA 0.359 4.680 4.320 0.001 0.000 0.208 37 A C 1.765 179.341 177.584 -0.013 0.000 1.177 37 A CA 1.891 53.920 52.037 -0.014 0.000 0.804 37 A CB -0.125 18.868 19.000 -0.011 0.000 0.823 37 A HN 0.506 nan 8.150 nan 0.000 0.482 38 D N 0.058 120.451 120.400 -0.012 0.000 2.379 38 D HA 0.212 4.853 4.640 0.001 0.000 0.218 38 D C 1.107 177.402 176.300 -0.008 0.000 1.006 38 D CA 0.775 54.770 54.000 -0.007 0.000 0.893 38 D CB -0.230 40.568 40.800 -0.003 0.000 1.019 38 D HN 0.338 nan 8.370 nan 0.000 0.503 39 A N 1.370 124.181 122.820 -0.014 0.000 2.591 39 A HA 0.007 4.327 4.320 0.001 0.000 0.244 39 A C 0.283 177.843 177.584 -0.040 0.000 1.031 39 A CA 0.904 52.928 52.037 -0.020 0.000 0.767 39 A CB -0.038 18.945 19.000 -0.027 0.000 0.942 39 A HN 0.070 nan 8.150 nan 0.000 0.514 40 E N 0.227 120.400 120.200 -0.045 0.000 2.336 40 E HA 0.579 4.930 4.350 0.001 0.000 0.267 40 E C -0.588 175.877 176.600 -0.224 0.000 0.906 40 E CA -0.580 55.738 56.400 -0.138 0.000 0.781 40 E CB 2.150 31.765 29.700 -0.142 0.000 1.261 40 E HN 0.632 nan 8.360 nan 0.000 0.436 41 T N 1.094 115.427 114.554 -0.367 0.000 2.855 41 T HA 0.448 4.798 4.350 0.001 0.000 0.281 41 T C -1.251 173.086 174.700 -0.605 0.000 1.007 41 T CA -0.466 61.415 62.100 -0.365 0.000 1.009 41 T CB 0.473 69.175 68.868 -0.278 0.000 0.983 41 T HN 0.384 nan 8.240 nan 0.000 0.455 42 H N 1.667 120.629 119.070 -0.180 0.000 3.008 42 H HA 0.291 4.847 4.556 0.001 0.000 0.354 42 H C -1.286 173.918 175.328 -0.206 0.000 1.252 42 H CA -0.726 55.245 56.048 -0.128 0.000 1.117 42 H CB 1.022 30.748 29.762 -0.058 0.000 1.857 42 H HN 0.600 nan 8.280 nan 0.000 0.547 43 W N 1.706 123.078 121.300 0.120 0.000 2.438 43 W HA 0.481 5.141 4.660 0.001 0.000 0.324 43 W C 0.272 176.796 176.519 0.007 0.000 1.119 43 W CA -0.641 56.735 57.345 0.052 0.000 1.221 43 W CB 1.187 30.672 29.460 0.042 0.000 1.253 43 W HN 0.216 nan 8.180 nan 0.000 0.555 44 M N 3.440 123.175 119.600 0.226 0.000 2.190 44 M HA 0.673 5.154 4.480 0.001 0.000 0.312 44 M C -0.913 175.438 176.300 0.084 0.000 0.990 44 M CA -0.486 54.858 55.300 0.074 0.000 0.927 44 M CB 1.071 33.679 32.600 0.015 0.000 1.571 44 M HN 0.503 nan 8.290 nan 0.000 0.427 45 A N 3.078 125.911 122.820 0.021 0.000 2.274 45 A HA 0.597 4.918 4.320 0.001 0.000 0.309 45 A C 0.584 178.163 177.584 -0.008 0.000 1.226 45 A CA -0.301 51.733 52.037 -0.004 0.000 0.853 45 A CB 0.303 19.266 19.000 -0.062 0.000 1.146 45 A HN 0.945 nan 8.150 nan 0.000 0.518 46 T N -0.820 113.739 114.554 0.008 0.000 2.958 46 T HA 0.481 4.832 4.350 0.001 0.000 0.256 46 T C 0.753 175.465 174.700 0.020 0.000 0.983 46 T CA 0.677 62.785 62.100 0.014 0.000 0.924 46 T CB -0.095 68.786 68.868 0.023 0.000 1.136 46 T HN 1.162 nan 8.240 nan 0.000 0.506 47 A N 1.371 124.200 122.820 0.016 0.000 2.363 47 A HA 0.521 4.842 4.320 0.001 0.000 0.270 47 A C 1.021 178.632 177.584 0.045 0.000 1.121 47 A CA -0.160 51.898 52.037 0.035 0.000 0.800 47 A CB 0.142 19.155 19.000 0.023 0.000 1.052 47 A HN 0.549 nan 8.150 nan 0.000 0.493 48 H N 2.905 121.959 119.070 -0.027 0.000 2.289 48 H HA -0.183 4.373 4.556 0.001 0.000 0.296 48 H C 2.002 177.296 175.328 -0.055 0.000 1.091 48 H CA 3.129 59.154 56.048 -0.037 0.000 1.274 48 H CB 0.092 29.836 29.762 -0.029 0.000 1.364 48 H HN 0.705 nan 8.280 nan 0.000 0.490 49 A N -0.207 122.625 122.820 0.019 0.000 2.019 49 A HA -0.084 4.237 4.320 0.001 0.000 0.219 49 A C 2.619 180.149 177.584 -0.091 0.000 1.164 49 A CA 1.534 53.538 52.037 -0.054 0.000 0.644 49 A CB -0.640 18.369 19.000 0.016 0.000 0.805 49 A HN 0.353 nan 8.150 nan 0.000 0.449 50 V N -0.752 119.118 119.914 -0.074 0.000 2.407 50 V HA -0.163 3.958 4.120 0.001 0.000 0.245 50 V C 2.520 178.534 176.094 -0.134 0.000 1.041 50 V CA 1.696 63.943 62.300 -0.090 0.000 1.040 50 V CB -0.620 31.160 31.823 -0.071 0.000 0.671 50 V HN 0.348 nan 8.190 nan 0.000 0.455 51 V N -0.010 119.821 119.914 -0.139 0.000 2.343 51 V HA -0.250 3.871 4.120 0.001 0.000 0.247 51 V C 2.613 178.613 176.094 -0.156 0.000 1.051 51 V CA 2.038 64.249 62.300 -0.148 0.000 1.036 51 V CB -0.759 30.989 31.823 -0.125 0.000 0.654 51 V HN 0.447 nan 8.190 nan 0.000 0.451 52 R N -0.486 119.869 120.500 -0.242 0.000 2.081 52 R HA -0.222 4.119 4.340 0.001 0.000 0.235 52 R C 2.456 178.753 176.300 -0.005 0.000 1.131 52 R CA 1.851 57.804 56.100 -0.245 0.000 0.960 52 R CB -0.323 29.679 30.300 -0.497 0.000 0.856 52 R HN 0.601 nan 8.270 nan 0.000 0.436 53 Q N 0.490 120.258 119.800 -0.053 0.000 2.046 53 Q HA -0.142 4.198 4.340 0.001 0.000 0.200 53 Q C 2.045 178.036 176.000 -0.016 0.000 0.975 53 Q CA 1.646 57.450 55.803 0.003 0.000 0.836 53 Q CB 0.133 28.865 28.738 -0.009 0.000 0.896 53 Q HN 0.176 nan 8.270 nan 0.000 0.428 54 V N 0.992 120.785 119.914 -0.201 0.000 2.233 54 V HA -0.327 3.793 4.120 0.001 0.000 0.247 54 V C 2.426 178.382 176.094 -0.229 0.000 1.050 54 V CA 2.164 64.125 62.300 -0.565 0.000 1.010 54 V CB -0.538 30.877 31.823 -0.681 0.000 0.637 54 V HN 0.468 nan 8.190 nan 0.000 0.444 55 M N 0.127 119.683 119.600 -0.074 0.000 2.213 55 M HA -0.075 4.405 4.480 0.001 0.000 0.263 55 M C 2.104 178.482 176.300 0.130 0.000 1.062 55 M CA 1.936 57.271 55.300 0.058 0.000 1.105 55 M CB -0.686 31.980 32.600 0.110 0.000 1.385 55 M HN 0.509 nan 8.290 nan 0.000 0.417 56 G N -0.985 107.915 108.800 0.167 0.000 2.551 56 G HA2 -0.118 3.843 3.960 0.001 0.000 0.216 56 G HA3 -0.118 3.843 3.960 0.001 0.000 0.216 56 G C 0.284 175.235 174.900 0.085 0.000 1.137 56 G CA 0.110 45.261 45.100 0.084 0.000 0.798 56 G HN 0.297 nan 8.290 nan 0.000 0.536 57 D N 0.469 120.944 120.400 0.124 0.000 2.564 57 D HA 0.155 4.795 4.640 0.001 0.000 0.226 57 D C 1.445 177.805 176.300 0.101 0.000 1.149 57 D CA -0.731 53.309 54.000 0.067 0.000 0.994 57 D CB -0.055 40.851 40.800 0.176 0.000 1.029 57 D HN 0.558 nan 8.370 nan 0.000 0.517 58 H N 0.518 119.661 119.070 0.121 0.000 2.495 58 H HA -0.026 4.530 4.556 0.001 0.000 0.287 58 H C 1.381 176.757 175.328 0.079 0.000 1.033 58 H CA 0.875 56.995 56.048 0.119 0.000 1.307 58 H CB -0.015 29.795 29.762 0.079 0.000 1.401 58 H HN 0.173 nan 8.280 nan 0.000 0.555 59 Q N 0.503 120.173 119.800 -0.217 0.000 2.170 59 Q HA -0.088 4.253 4.340 0.001 0.000 0.203 59 Q C 1.937 177.893 176.000 -0.072 0.000 0.976 59 Q CA 1.573 57.328 55.803 -0.080 0.000 0.858 59 Q CB 0.071 28.725 28.738 -0.140 0.000 0.907 59 Q HN 0.648 nan 8.270 nan 0.000 0.433 60 Q N -1.534 118.199 119.800 -0.111 0.000 2.373 60 Q HA 0.148 4.489 4.340 0.001 0.000 0.210 60 Q C -0.433 175.282 176.000 -0.475 0.000 0.913 60 Q CA 0.355 55.969 55.803 -0.315 0.000 0.911 60 Q CB 0.818 29.286 28.738 -0.450 0.000 1.040 60 Q HN 0.287 nan 8.270 nan 0.000 0.521 61 F N 0.555 120.519 119.950 0.024 0.000 2.500 61 F HA 0.285 4.813 4.527 0.001 0.000 0.349 61 F C 0.189 176.029 175.800 0.067 0.000 1.127 61 F CA -0.716 57.307 58.000 0.038 0.000 0.998 61 F CB 1.746 40.764 39.000 0.029 0.000 1.237 61 F HN -0.250 nan 8.300 nan 0.000 0.439 62 S N 0.876 116.697 115.700 0.203 0.000 2.617 62 S HA 0.336 4.806 4.470 0.001 0.000 0.269 62 S C 0.993 175.665 174.600 0.121 0.000 1.292 62 S CA -0.053 58.239 58.200 0.153 0.000 1.010 62 S CB 0.879 64.139 63.200 0.101 0.000 0.944 62 S HN 0.742 nan 8.310 nan 0.000 0.536 63 T N 0.986 115.585 114.554 0.074 0.000 3.092 63 T HA 0.332 4.682 4.350 0.001 0.000 0.258 63 T C 0.576 175.268 174.700 -0.013 0.000 1.031 63 T CA -0.410 61.682 62.100 -0.013 0.000 0.925 63 T CB -0.074 68.687 68.868 -0.178 0.000 1.036 63 T HN 0.518 nan 8.240 nan 0.000 0.544 64 R N 1.578 122.086 120.500 0.014 0.000 2.707 64 R HA 0.520 4.861 4.340 0.001 0.000 0.270 64 R C 0.190 176.484 176.300 -0.011 0.000 1.083 64 R CA -0.727 55.363 56.100 -0.017 0.000 1.182 64 R CB 0.277 30.570 30.300 -0.011 0.000 1.084 64 R HN 0.146 nan 8.270 nan 0.000 0.528 84 L N 2.930 124.154 121.223 0.003 0.000 2.529 84 L HA 0.395 4.736 4.340 0.001 0.000 0.258 84 L C -0.690 176.241 176.870 0.101 0.000 1.032 84 L CA -0.793 54.077 54.840 0.050 0.000 0.899 84 L CB 1.391 43.485 42.059 0.058 0.000 1.174 84 L HN 0.497 nan 8.230 nan 0.000 0.458 85 V N 1.251 121.223 119.914 0.097 0.000 2.872 85 V HA 0.616 4.737 4.120 0.001 0.000 0.307 85 V C 1.282 177.439 176.094 0.105 0.000 1.072 85 V CA 0.531 62.906 62.300 0.124 0.000 1.148 85 V CB 0.511 32.347 31.823 0.021 0.000 0.954 85 V HN 1.134 nan 8.190 nan 0.000 0.490 86 G N 2.934 111.795 108.800 0.102 0.000 2.162 86 G HA2 -0.315 3.646 3.960 0.001 0.000 0.260 86 G HA3 -0.315 3.646 3.960 0.001 0.000 0.260 86 G C 0.228 175.380 174.900 0.419 0.000 0.976 86 G CA 0.490 45.653 45.100 0.105 0.000 0.655 86 G HN 1.443 nan 8.290 nan 0.000 0.533 87 N N 0.842 119.790 118.700 0.413 0.000 2.767 87 N HA 0.467 5.207 4.740 0.001 0.000 0.238 87 N C 1.790 177.584 175.510 0.473 0.000 1.083 87 N CA -0.420 52.845 53.050 0.357 0.000 0.964 87 N CB 0.000 38.625 38.487 0.229 0.000 1.252 87 N HN 0.225 nan 8.380 nan 0.000 0.512 88 L N 1.718 123.195 121.223 0.422 0.000 2.137 88 L HA -0.261 4.080 4.340 0.001 0.000 0.213 88 L C 1.895 179.098 176.870 0.555 0.000 1.085 88 L CA 1.343 56.473 54.840 0.483 0.000 0.760 88 L CB -0.296 41.962 42.059 0.332 0.000 0.893 88 L HN 0.615 nan 8.230 nan 0.000 0.434 89 M N -0.864 118.929 119.600 0.321 0.000 2.460 89 M HA -0.146 4.334 4.480 0.001 0.000 0.263 89 M C 0.879 177.211 176.300 0.053 0.000 1.071 89 M CA 1.089 56.445 55.300 0.092 0.000 1.096 89 M CB -0.193 32.407 32.600 -0.000 0.000 1.408 89 M HN 0.106 nan 8.290 nan 0.000 0.463 90 D N -0.741 119.745 120.400 0.144 0.000 2.340 90 D HA 0.061 4.702 4.640 0.001 0.000 0.220 90 D C -0.604 175.639 176.300 -0.094 0.000 1.039 90 D CA 0.622 54.591 54.000 -0.052 0.000 0.866 90 D CB 0.119 40.784 40.800 -0.225 0.000 0.913 90 D HN 0.209 nan 8.370 nan 0.000 0.523 91 Y N -0.075 120.336 120.300 0.185 0.000 2.602 91 Y HA 0.450 5.000 4.550 0.001 0.000 0.342 91 Y C 0.020 176.029 175.900 0.182 0.000 1.029 91 Y CA -1.225 56.986 58.100 0.184 0.000 1.080 91 Y CB 1.447 40.035 38.460 0.214 0.000 1.284 91 Y HN -0.344 nan 8.280 nan 0.000 0.485 92 D N 1.113 121.703 120.400 0.316 0.000 2.350 92 D HA 0.461 5.102 4.640 0.001 0.000 0.238 92 D C -2.823 173.564 176.300 0.146 0.000 0.989 92 D CA -1.697 52.411 54.000 0.180 0.000 0.921 92 D CB 1.821 42.717 40.800 0.159 0.000 1.297 92 D HN 0.116 nan 8.370 nan 0.000 0.490 93 P HA 0.068 nan 4.420 nan 0.000 0.269 93 P C -1.794 175.547 177.300 0.068 0.000 1.209 93 P CA -0.828 62.275 63.100 0.005 0.000 0.776 93 P CB 0.378 31.971 31.700 -0.179 0.000 0.876 94 P HA -0.060 nan 4.420 nan 0.000 0.227 94 P C 0.778 178.096 177.300 0.030 0.000 1.161 94 P CA 1.162 64.283 63.100 0.036 0.000 0.788 94 P CB 0.320 32.041 31.700 0.036 0.000 0.822 95 E N -0.398 119.843 120.200 0.069 0.000 2.058 95 E HA -0.220 4.130 4.350 0.001 0.000 0.194 95 E C 2.248 178.826 176.600 -0.037 0.000 0.997 95 E CA 1.082 57.506 56.400 0.039 0.000 0.801 95 E CB -1.390 28.411 29.700 0.167 0.000 0.746 95 E HN 0.480 nan 8.360 nan 0.000 0.450 96 H N 0.272 119.317 119.070 -0.041 0.000 2.319 96 H HA -0.124 4.433 4.556 0.001 0.000 0.299 96 H C 1.475 176.714 175.328 -0.147 0.000 1.092 96 H CA 2.016 58.007 56.048 -0.095 0.000 1.302 96 H CB 0.084 29.795 29.762 -0.084 0.000 1.373 96 H HN 0.168 nan 8.280 nan 0.000 0.497 97 T N 0.585 115.029 114.554 -0.185 0.000 2.720 97 T HA -0.159 4.191 4.350 0.001 0.000 0.268 97 T C 2.213 176.783 174.700 -0.217 0.000 1.037 97 T CA 1.657 63.619 62.100 -0.230 0.000 1.144 97 T CB -0.187 68.625 68.868 -0.094 0.000 0.864 97 T HN 0.303 nan 8.240 nan 0.000 0.444 98 R N -0.017 120.389 120.500 -0.156 0.000 2.066 98 R HA 0.099 4.439 4.340 0.001 0.000 0.232 98 R C 2.291 178.494 176.300 -0.162 0.000 1.131 98 R CA 0.799 56.830 56.100 -0.115 0.000 0.955 98 R CB -0.592 29.663 30.300 -0.076 0.000 0.851 98 R HN 0.180 nan 8.270 nan 0.000 0.432 99 L N 0.618 121.711 121.223 -0.217 0.000 2.017 99 L HA -0.112 4.229 4.340 0.001 0.000 0.208 99 L C 2.375 179.117 176.870 -0.213 0.000 1.073 99 L CA 1.746 56.491 54.840 -0.159 0.000 0.745 99 L CB -0.468 41.447 42.059 -0.240 0.000 0.894 99 L HN 0.089 nan 8.230 nan 0.000 0.432 100 R N -0.711 119.557 120.500 -0.386 0.000 2.096 100 R HA -0.200 4.141 4.340 0.001 0.000 0.235 100 R C 2.486 178.614 176.300 -0.287 0.000 1.127 100 R CA 1.525 57.378 56.100 -0.411 0.000 0.968 100 R CB -0.208 29.734 30.300 -0.596 0.000 0.861 100 R HN 0.248 nan 8.270 nan 0.000 0.440 101 R N 0.733 121.100 120.500 -0.221 0.000 2.096 101 R HA -0.162 4.179 4.340 0.001 0.000 0.235 101 R C 2.174 178.411 176.300 -0.106 0.000 1.127 101 R CA 1.928 57.964 56.100 -0.107 0.000 0.968 101 R CB -0.125 30.156 30.300 -0.031 0.000 0.861 101 R HN 0.119 nan 8.270 nan 0.000 0.440 102 K N 0.069 120.315 120.400 -0.257 0.000 2.097 102 K HA -0.150 4.170 4.320 0.001 0.000 0.206 102 K C 1.838 178.225 176.600 -0.355 0.000 1.049 102 K CA 1.256 57.193 56.287 -0.584 0.000 0.933 102 K CB -0.054 32.111 32.500 -0.558 0.000 0.717 102 K HN 0.199 nan 8.250 nan 0.000 0.442 103 L N 0.772 121.768 121.223 -0.377 0.000 2.418 103 L HA 0.020 4.361 4.340 0.001 0.000 0.218 103 L C 1.660 178.469 176.870 -0.101 0.000 1.125 103 L CA 1.413 55.994 54.840 -0.432 0.000 0.835 103 L CB -0.282 41.180 42.059 -0.994 0.000 0.953 103 L HN 0.067 nan 8.230 nan 0.000 0.454 104 T N 0.937 115.443 114.554 -0.079 0.000 2.778 104 T HA -0.111 4.240 4.350 0.001 0.000 0.269 104 T C -0.594 174.171 174.700 0.107 0.000 1.050 104 T CA 1.810 63.931 62.100 0.035 0.000 1.137 104 T CB -0.858 68.001 68.868 -0.016 0.000 0.860 104 T HN 0.308 nan 8.240 nan 0.000 0.468 105 P HA -0.004 nan 4.420 nan 0.000 0.221 105 P C 1.386 178.695 177.300 0.014 0.000 1.145 105 P CA 0.852 63.988 63.100 0.061 0.000 0.795 105 P CB -0.304 31.445 31.700 0.083 0.000 0.775 106 G N -2.831 105.965 108.800 -0.007 0.000 2.985 106 G HA2 -0.053 3.908 3.960 0.001 0.000 0.209 106 G HA3 -0.053 3.908 3.960 0.001 0.000 0.209 106 G C 0.414 175.021 174.900 -0.488 0.000 1.165 106 G CA 0.065 45.026 45.100 -0.232 0.000 0.776 106 G HN 0.219 nan 8.290 nan 0.000 0.541 107 F N 0.999 120.915 119.950 -0.056 0.000 2.772 107 F HA 0.213 4.741 4.527 0.001 0.000 0.316 107 F C 1.443 177.221 175.800 -0.037 0.000 1.114 107 F CA -0.678 57.292 58.000 -0.049 0.000 1.191 107 F CB 0.146 39.108 39.000 -0.063 0.000 1.065 107 F HN -0.029 nan 8.300 nan 0.000 0.534 108 T N -1.540 113.069 114.554 0.091 0.000 2.855 108 T HA 0.106 4.456 4.350 0.001 0.000 0.314 108 T C 1.508 176.235 174.700 0.044 0.000 1.077 108 T CA -0.387 61.749 62.100 0.059 0.000 1.095 108 T CB 0.913 69.799 68.868 0.030 0.000 0.987 108 T HN 0.230 nan 8.240 nan 0.000 0.546 109 L N 0.684 121.929 121.223 0.037 0.000 2.083 109 L HA -0.081 4.259 4.340 0.001 0.000 0.209 109 L C 3.278 180.162 176.870 0.024 0.000 1.083 109 L CA 1.391 56.251 54.840 0.032 0.000 0.752 109 L CB -0.511 41.564 42.059 0.027 0.000 0.899 109 L HN 0.730 nan 8.230 nan 0.000 0.433 110 R N -0.185 120.326 120.500 0.017 0.000 2.096 110 R HA -0.118 4.223 4.340 0.001 0.000 0.235 110 R C 2.320 178.624 176.300 0.006 0.000 1.127 110 R CA 0.845 56.953 56.100 0.013 0.000 0.968 110 R CB -0.146 30.160 30.300 0.009 0.000 0.861 110 R HN 0.206 nan 8.270 nan 0.000 0.440 111 K N 0.216 120.612 120.400 -0.006 0.000 2.097 111 K HA -0.066 4.254 4.320 0.001 0.000 0.206 111 K C 2.011 178.598 176.600 -0.021 0.000 1.049 111 K CA 1.117 57.386 56.287 -0.030 0.000 0.933 111 K CB -0.067 32.391 32.500 -0.070 0.000 0.717 111 K HN 0.175 nan 8.250 nan 0.000 0.442 112 M N 0.924 120.523 119.600 -0.001 0.000 2.117 112 M HA -0.129 4.352 4.480 0.001 0.000 0.262 112 M C 2.073 178.391 176.300 0.030 0.000 1.065 112 M CA 1.548 56.857 55.300 0.016 0.000 1.114 112 M CB -1.039 31.583 32.600 0.035 0.000 1.361 112 M HN 0.170 nan 8.290 nan 0.000 0.408 113 Q N -0.524 119.294 119.800 0.030 0.000 2.084 113 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 113 Q C 2.259 178.286 176.000 0.045 0.000 0.978 113 Q CA 1.227 57.051 55.803 0.036 0.000 0.844 113 Q CB -0.245 28.510 28.738 0.029 0.000 0.898 113 Q HN 0.425 nan 8.270 nan 0.000 0.426 114 R N 0.462 120.988 120.500 0.043 0.000 2.120 114 R HA -0.079 4.262 4.340 0.001 0.000 0.234 114 R C 1.967 178.350 176.300 0.137 0.000 1.123 114 R CA 1.076 57.220 56.100 0.072 0.000 0.975 114 R CB -0.001 30.327 30.300 0.046 0.000 0.866 114 R HN 0.322 nan 8.270 nan 0.000 0.446 115 M N -0.312 119.345 119.600 0.096 0.000 2.394 115 M HA -0.030 4.450 4.480 0.001 0.000 0.264 115 M C 2.339 178.742 176.300 0.171 0.000 1.073 115 M CA 1.041 56.426 55.300 0.141 0.000 1.111 115 M CB -0.204 32.420 32.600 0.040 0.000 1.401 115 M HN 0.191 nan 8.290 nan 0.000 0.448 116 A N 1.639 124.519 122.820 0.101 0.000 1.903 116 A HA -0.146 4.175 4.320 0.001 0.000 0.219 116 A C -0.323 177.284 177.584 0.039 0.000 1.191 116 A CA 1.748 53.823 52.037 0.064 0.000 0.638 116 A CB -2.032 16.994 19.000 0.043 0.000 0.823 116 A HN 0.302 nan 8.150 nan 0.000 0.451 117 P HA -0.155 nan 4.420 nan 0.000 0.216 117 P C 0.927 178.123 177.300 -0.173 0.000 1.150 117 P CA 1.297 64.324 63.100 -0.123 0.000 0.837 117 P CB -0.232 31.327 31.700 -0.234 0.000 0.786 118 Y N -0.998 119.292 120.300 -0.017 0.000 2.200 118 Y HA -0.082 4.469 4.550 0.001 0.000 0.290 118 Y C 2.394 178.282 175.900 -0.019 0.000 1.137 118 Y CA 0.942 59.030 58.100 -0.020 0.000 1.163 118 Y CB -0.998 37.447 38.460 -0.025 0.000 0.988 118 Y HN -0.132 nan 8.280 nan 0.000 0.518 119 I N -0.228 120.417 120.570 0.125 0.000 2.353 119 I HA -0.226 3.945 4.170 0.001 0.000 0.248 119 I C 1.994 178.122 176.117 0.019 0.000 1.119 119 I CA 1.249 62.586 61.300 0.062 0.000 1.417 119 I CB -0.315 37.713 38.000 0.047 0.000 1.078 119 I HN 0.236 nan 8.210 nan 0.000 0.421 120 E N 0.379 120.580 120.200 0.001 0.000 2.085 120 E HA -0.321 4.029 4.350 0.001 0.000 0.194 120 E C 2.098 178.679 176.600 -0.032 0.000 0.994 120 E CA 1.362 57.748 56.400 -0.023 0.000 0.801 120 E CB -0.079 29.601 29.700 -0.033 0.000 0.743 120 E HN 0.335 nan 8.360 nan 0.000 0.453 121 Q N 0.753 120.531 119.800 -0.038 0.000 2.079 121 Q HA -0.110 4.230 4.340 0.001 0.000 0.200 121 Q C 1.919 177.913 176.000 -0.010 0.000 0.974 121 Q CA 1.263 57.044 55.803 -0.037 0.000 0.840 121 Q CB -0.095 28.611 28.738 -0.053 0.000 0.898 121 Q HN 0.306 nan 8.270 nan 0.000 0.430 122 I N -0.817 119.760 120.570 0.012 0.000 2.163 122 I HA -0.286 3.885 4.170 0.001 0.000 0.243 122 I C 2.016 178.135 176.117 0.003 0.000 1.085 122 I CA 0.974 62.286 61.300 0.019 0.000 1.347 122 I CB -0.284 37.736 38.000 0.032 0.000 1.044 122 I HN 0.079 nan 8.210 nan 0.000 0.408 123 V N 1.032 120.939 119.914 -0.012 0.000 2.295 123 V HA -0.280 3.841 4.120 0.001 0.000 0.246 123 V C 2.154 178.228 176.094 -0.033 0.000 1.049 123 V CA 1.918 64.201 62.300 -0.029 0.000 1.024 123 V CB -0.814 30.979 31.823 -0.050 0.000 0.648 123 V HN 0.458 nan 8.190 nan 0.000 0.447 124 N N 0.171 118.847 118.700 -0.041 0.000 2.223 124 N HA -0.161 4.579 4.740 0.001 0.000 0.185 124 N C 1.527 177.015 175.510 -0.036 0.000 1.016 124 N CA 1.525 54.542 53.050 -0.055 0.000 0.863 124 N CB -0.343 38.107 38.487 -0.063 0.000 0.983 124 N HN 0.494 nan 8.380 nan 0.000 0.429 125 D N 0.643 121.034 120.400 -0.015 0.000 2.117 125 D HA -0.070 4.571 4.640 0.001 0.000 0.198 125 D C 2.011 178.324 176.300 0.022 0.000 0.982 125 D CA 0.733 54.736 54.000 0.004 0.000 0.828 125 D CB 0.044 40.853 40.800 0.014 0.000 0.967 125 D HN 0.133 nan 8.370 nan 0.000 0.464 126 R N 0.329 120.845 120.500 0.027 0.000 2.075 126 R HA 0.037 4.377 4.340 0.001 0.000 0.232 126 R C 2.564 178.892 176.300 0.046 0.000 1.126 126 R CA 0.260 56.397 56.100 0.062 0.000 0.963 126 R CB -0.908 29.426 30.300 0.057 0.000 0.858 126 R HN 0.306 nan 8.270 nan 0.000 0.435 127 L N 0.830 122.055 121.223 0.004 0.000 2.083 127 L HA -0.185 4.156 4.340 0.001 0.000 0.209 127 L C 1.828 178.689 176.870 -0.016 0.000 1.083 127 L CA 1.209 56.049 54.840 -0.001 0.000 0.752 127 L CB -0.523 41.513 42.059 -0.039 0.000 0.899 127 L HN 0.063 nan 8.230 nan 0.000 0.433 128 D N 0.267 120.651 120.400 -0.027 0.000 2.123 128 D HA -0.200 4.441 4.640 0.001 0.000 0.196 128 D C 2.118 178.417 176.300 -0.003 0.000 0.992 128 D CA 1.290 55.278 54.000 -0.020 0.000 0.833 128 D CB -0.036 40.757 40.800 -0.011 0.000 0.954 128 D HN 0.406 nan 8.370 nan 0.000 0.455 129 E N -0.170 120.043 120.200 0.021 0.000 2.072 129 E HA -0.116 4.235 4.350 0.001 0.000 0.191 129 E C 2.088 178.598 176.600 -0.150 0.000 0.985 129 E CA 0.469 56.902 56.400 0.054 0.000 0.801 129 E CB -0.095 29.745 29.700 0.232 0.000 0.750 129 E HN 0.232 nan 8.360 nan 0.000 0.452 130 M N 0.897 120.290 119.600 -0.345 0.000 2.117 130 M HA -0.219 4.262 4.480 0.001 0.000 0.262 130 M C 2.289 178.400 176.300 -0.315 0.000 1.065 130 M CA 1.555 56.365 55.300 -0.817 0.000 1.114 130 M CB 0.091 32.302 32.600 -0.649 0.000 1.361 130 M HN 0.020 nan 8.290 nan 0.000 0.408 131 E N 0.057 120.217 120.200 -0.066 0.000 2.051 131 E HA -0.240 4.111 4.350 0.001 0.000 0.192 131 E C 1.946 178.639 176.600 0.156 0.000 0.991 131 E CA 1.398 57.903 56.400 0.174 0.000 0.799 131 E CB 0.012 29.797 29.700 0.142 0.000 0.748 131 E HN 0.519 nan 8.360 nan 0.000 0.449 132 R N -0.124 120.406 120.500 0.050 0.000 2.120 132 R HA -0.078 4.262 4.340 0.001 0.000 0.234 132 R C 2.277 178.603 176.300 0.043 0.000 1.123 132 R CA 1.015 57.146 56.100 0.052 0.000 0.975 132 R CB -0.203 30.123 30.300 0.043 0.000 0.866 132 R HN 0.150 nan 8.270 nan 0.000 0.446 133 A N 0.815 123.624 122.820 -0.018 0.000 2.066 133 A HA 0.190 4.511 4.320 0.001 0.000 0.218 133 A C 1.009 178.595 177.584 0.003 0.000 1.157 133 A CA 0.891 52.923 52.037 -0.008 0.000 0.670 133 A CB -0.373 18.563 19.000 -0.106 0.000 0.804 133 A HN 0.449 nan 8.150 nan 0.000 0.453 134 G N -1.180 107.658 108.800 0.063 0.000 2.733 134 G HA2 0.027 3.988 3.960 0.001 0.000 0.686 134 G HA3 0.027 3.988 3.960 0.001 0.000 0.686 134 G C -0.057 174.622 174.900 -0.369 0.000 1.373 134 G CA -0.047 45.038 45.100 -0.026 0.000 0.838 134 G HN 1.164 nan 8.290 nan 0.000 0.588 135 S N 1.553 116.697 115.700 -0.927 0.000 2.565 135 S HA 0.707 5.178 4.470 0.001 0.000 0.276 135 S C -0.933 173.319 174.600 -0.581 0.000 1.326 135 S CA -0.184 57.222 58.200 -1.324 0.000 1.045 135 S CB 0.570 62.756 63.200 -1.690 0.000 0.918 135 S HN 0.818 nan 8.310 nan 0.000 0.505 136 P HA 0.666 nan 4.420 nan 0.000 0.287 136 P C -1.559 175.637 177.300 -0.173 0.000 1.270 136 P CA -0.660 62.235 63.100 -0.342 0.000 0.844 136 P CB 1.528 33.117 31.700 -0.184 0.000 1.068 137 A N 0.803 123.607 122.820 -0.027 0.000 2.556 137 A HA 0.439 4.760 4.320 0.001 0.000 0.294 137 A C -1.094 176.594 177.584 0.173 0.000 1.091 137 A CA -0.569 51.538 52.037 0.116 0.000 0.704 137 A CB 1.246 20.300 19.000 0.090 0.000 1.300 137 A HN 0.508 nan 8.150 nan 0.000 0.406 138 D N 1.496 122.058 120.400 0.269 0.000 2.374 138 D HA 0.164 4.804 4.640 0.001 0.000 0.240 138 D C 0.940 177.387 176.300 0.245 0.000 1.229 138 D CA -0.150 53.965 54.000 0.192 0.000 0.895 138 D CB 0.596 41.468 40.800 0.121 0.000 1.046 138 D HN 0.445 nan 8.370 nan 0.000 0.498 139 L N 5.027 126.324 121.223 0.122 0.000 2.131 139 L HA -0.169 4.172 4.340 0.001 0.000 0.210 139 L C 1.773 178.691 176.870 0.080 0.000 1.092 139 L CA 0.987 55.875 54.840 0.080 0.000 0.759 139 L CB -0.047 42.007 42.059 -0.008 0.000 0.903 139 L HN 0.479 nan 8.230 nan 0.000 0.435 140 I N 0.245 120.843 120.570 0.047 0.000 2.142 140 I HA -0.254 3.916 4.170 0.001 0.000 0.240 140 I C 2.779 178.894 176.117 -0.002 0.000 1.078 140 I CA 1.628 62.937 61.300 0.014 0.000 1.343 140 I CB -1.915 36.078 38.000 -0.011 0.000 1.046 140 I HN 0.334 nan 8.210 nan 0.000 0.405 141 A N 0.092 122.891 122.820 -0.036 0.000 1.930 141 A HA -0.160 4.160 4.320 0.001 0.000 0.217 141 A C 2.172 179.631 177.584 -0.209 0.000 1.175 141 A CA 1.352 53.293 52.037 -0.161 0.000 0.627 141 A CB -0.867 17.965 19.000 -0.281 0.000 0.815 141 A HN 0.335 nan 8.150 nan 0.000 0.443 142 F N -1.370 118.571 119.950 -0.016 0.000 2.335 142 F HA 0.027 4.555 4.527 0.001 0.000 0.296 142 F C 2.024 177.810 175.800 -0.023 0.000 1.091 142 F CA 1.236 59.226 58.000 -0.016 0.000 1.399 142 F CB 0.307 39.294 39.000 -0.021 0.000 1.067 142 F HN 0.047 nan 8.300 nan 0.000 0.520 143 V N -1.619 118.384 119.914 0.148 0.000 3.054 143 V HA 0.210 4.330 4.120 0.001 0.000 0.227 143 V C 2.179 178.289 176.094 0.027 0.000 1.252 143 V CA 0.814 63.154 62.300 0.067 0.000 1.279 143 V CB -0.855 30.984 31.823 0.027 0.000 1.118 143 V HN 0.101 nan 8.190 nan 0.000 0.504 144 A N 0.311 123.145 122.820 0.022 0.000 1.908 144 A HA -0.259 4.062 4.320 0.001 0.000 0.218 144 A C 1.724 179.317 177.584 0.016 0.000 1.181 144 A CA 2.437 54.483 52.037 0.014 0.000 0.627 144 A CB -0.578 18.434 19.000 0.020 0.000 0.818 144 A HN 0.549 nan 8.150 nan 0.000 0.445 145 D N -1.304 119.102 120.400 0.010 0.000 2.349 145 D HA 0.064 4.704 4.640 0.001 0.000 0.215 145 D C 1.750 178.066 176.300 0.027 0.000 1.016 145 D CA 0.740 54.745 54.000 0.009 0.000 0.870 145 D CB 0.148 40.936 40.800 -0.020 0.000 0.917 145 D HN 0.520 nan 8.370 nan 0.000 0.524 146 K N -0.422 119.994 120.400 0.027 0.000 2.306 146 K HA 0.099 4.420 4.320 0.001 0.000 0.200 146 K C 1.960 178.584 176.600 0.040 0.000 1.083 146 K CA 0.061 56.370 56.287 0.037 0.000 0.959 146 K CB 0.596 33.116 32.500 0.033 0.000 0.994 146 K HN -0.130 nan 8.250 nan 0.000 0.492 147 V N 2.434 122.365 119.914 0.028 0.000 2.287 147 V HA -0.194 3.927 4.120 0.001 0.000 0.248 147 V C -1.090 175.021 176.094 0.029 0.000 1.053 147 V CA 1.970 64.282 62.300 0.019 0.000 1.027 147 V CB -1.156 30.662 31.823 -0.009 0.000 0.646 147 V HN 0.153 nan 8.190 nan 0.000 0.447 148 P HA -0.176 nan 4.420 nan 0.000 0.215 148 P C 1.732 179.076 177.300 0.073 0.000 1.163 148 P CA 2.111 65.246 63.100 0.058 0.000 0.894 148 P CB -0.393 31.349 31.700 0.069 0.000 0.791 149 G N -0.381 108.469 108.800 0.084 0.000 2.418 149 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 149 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 149 G C 1.659 176.598 174.900 0.065 0.000 1.158 149 G CA 1.008 46.161 45.100 0.089 0.000 0.771 149 G HN 0.346 nan 8.290 nan 0.000 0.545 150 A N 0.068 122.917 122.820 0.048 0.000 1.898 150 A HA 0.107 4.428 4.320 0.001 0.000 0.216 150 A C 2.590 180.186 177.584 0.019 0.000 1.181 150 A CA 1.715 53.769 52.037 0.029 0.000 0.620 150 A CB -0.599 18.419 19.000 0.030 0.000 0.819 150 A HN 0.247 nan 8.150 nan 0.000 0.442 151 V N 0.035 119.966 119.914 0.028 0.000 2.343 151 V HA -0.251 3.870 4.120 0.001 0.000 0.247 151 V C 2.553 178.653 176.094 0.010 0.000 1.051 151 V CA 1.958 64.270 62.300 0.021 0.000 1.036 151 V CB -0.684 31.157 31.823 0.030 0.000 0.654 151 V HN 0.568 nan 8.190 nan 0.000 0.451 152 L N -1.191 120.054 121.223 0.036 0.000 2.056 152 L HA -0.190 4.150 4.340 0.001 0.000 0.207 152 L C 2.636 179.505 176.870 -0.002 0.000 1.078 152 L CA 1.408 56.276 54.840 0.046 0.000 0.749 152 L CB -0.678 41.446 42.059 0.107 0.000 0.901 152 L HN 0.370 nan 8.230 nan 0.000 0.433 153 C N -0.162 119.125 119.300 -0.021 0.000 2.413 153 C HA -0.191 4.269 4.460 0.001 0.000 0.276 153 C C 2.817 177.722 174.990 -0.142 0.000 1.236 153 C CA 1.200 60.141 59.018 -0.128 0.000 1.735 153 C CB -0.586 27.082 27.740 -0.119 0.000 2.031 153 C HN 0.543 nan 8.230 nan 0.000 0.474 154 E N 0.892 121.030 120.200 -0.103 0.000 2.077 154 E HA -0.201 4.149 4.350 0.001 0.000 0.193 154 E C 1.898 178.392 176.600 -0.177 0.000 0.989 154 E CA 1.185 57.499 56.400 -0.144 0.000 0.800 154 E CB -0.542 29.097 29.700 -0.103 0.000 0.746 154 E HN 0.506 nan 8.360 nan 0.000 0.452 155 L N -0.373 120.765 121.223 -0.141 0.000 2.017 155 L HA -0.124 4.217 4.340 0.001 0.000 0.208 155 L C 2.261 179.022 176.870 -0.183 0.000 1.073 155 L CA 1.580 56.313 54.840 -0.179 0.000 0.745 155 L CB -0.548 41.414 42.059 -0.163 0.000 0.894 155 L HN 0.119 nan 8.230 nan 0.000 0.432 156 V N 0.051 119.886 119.914 -0.132 0.000 2.427 156 V HA 0.056 4.177 4.120 0.001 0.000 0.248 156 V C 1.796 177.815 176.094 -0.126 0.000 1.051 156 V CA 1.483 63.722 62.300 -0.102 0.000 1.048 156 V CB -0.785 31.004 31.823 -0.055 0.000 0.666 156 V HN 0.807 nan 8.190 nan 0.000 0.456 157 G N -0.798 107.906 108.800 -0.160 0.000 2.151 157 G HA2 -0.163 3.797 3.960 0.001 0.000 0.140 157 G HA3 -0.163 3.797 3.960 0.001 0.000 0.140 157 G C -0.013 174.796 174.900 -0.151 0.000 1.020 157 G CA -0.130 44.880 45.100 -0.150 0.000 0.688 157 G HN 0.336 nan 8.290 nan 0.000 0.500 158 V N 1.965 121.746 119.914 -0.221 0.000 2.479 158 V HA 0.292 4.413 4.120 0.001 0.000 0.281 158 V C -1.237 174.777 176.094 -0.134 0.000 1.031 158 V CA -0.916 61.238 62.300 -0.244 0.000 1.038 158 V CB 0.848 32.322 31.823 -0.582 0.000 0.981 158 V HN 0.173 nan 8.190 nan 0.000 0.478 159 P HA 0.107 nan 4.420 nan 0.000 0.265 159 P C 0.724 178.011 177.300 -0.020 0.000 1.187 159 P CA -0.124 62.963 63.100 -0.023 0.000 0.766 159 P CB 0.589 32.299 31.700 0.017 0.000 0.820 160 R N 2.458 122.952 120.500 -0.010 0.000 2.136 160 R HA -0.207 4.133 4.340 0.001 0.000 0.242 160 R C 1.279 177.585 176.300 0.009 0.000 1.131 160 R CA 2.125 58.226 56.100 0.001 0.000 0.937 160 R CB -0.929 29.381 30.300 0.017 0.000 0.863 160 R HN 0.541 nan 8.270 nan 0.000 0.435 161 D N -0.070 120.342 120.400 0.020 0.000 2.384 161 D HA -0.100 4.540 4.640 0.001 0.000 0.222 161 D C 0.410 176.731 176.300 0.034 0.000 0.976 161 D CA 0.891 54.908 54.000 0.027 0.000 0.915 161 D CB -0.043 40.776 40.800 0.032 0.000 0.896 161 D HN 0.306 nan 8.370 nan 0.000 0.523 162 D N -0.478 119.942 120.400 0.033 0.000 2.417 162 D HA 0.084 4.724 4.640 0.001 0.000 0.207 162 D C 1.937 178.237 176.300 -0.000 0.000 1.075 162 D CA -0.079 53.943 54.000 0.035 0.000 0.851 162 D CB 0.300 41.158 40.800 0.097 0.000 0.976 162 D HN 0.108 nan 8.370 nan 0.000 0.505 163 R N 0.865 121.360 120.500 -0.008 0.000 2.080 163 R HA -0.125 4.216 4.340 0.001 0.000 0.236 163 R C 1.408 177.735 176.300 0.044 0.000 1.137 163 R CA 1.336 57.439 56.100 0.004 0.000 0.943 163 R CB -0.145 30.150 30.300 -0.009 0.000 0.846 163 R HN 0.093 nan 8.270 nan 0.000 0.431 164 D N 0.436 120.850 120.400 0.025 0.000 2.106 164 D HA -0.224 4.417 4.640 0.001 0.000 0.191 164 D C 1.822 178.124 176.300 0.004 0.000 0.997 164 D CA 1.189 55.200 54.000 0.017 0.000 0.834 164 D CB -0.270 40.538 40.800 0.014 0.000 0.956 164 D HN 0.105 nan 8.370 nan 0.000 0.448 165 M N -0.262 119.340 119.600 0.002 0.000 2.086 165 M HA -0.171 4.309 4.480 0.001 0.000 0.261 165 M C 2.141 178.406 176.300 -0.058 0.000 1.067 165 M CA 1.205 56.491 55.300 -0.023 0.000 1.116 165 M CB -0.753 31.840 32.600 -0.012 0.000 1.348 165 M HN 0.011 nan 8.290 nan 0.000 0.407 166 F N 1.298 121.104 119.950 -0.240 0.000 2.126 166 F HA -0.296 4.231 4.527 0.000 0.000 0.299 166 F C 2.059 177.710 175.800 -0.248 0.000 1.096 166 F CA 1.734 59.558 58.000 -0.293 0.000 1.255 166 F CB -0.215 38.604 39.000 -0.301 0.000 0.997 166 F HN 0.137 nan 8.300 nan 0.000 0.479 167 M N 0.165 119.741 119.600 -0.040 0.000 2.229 167 M HA -0.158 4.323 4.480 0.001 0.000 0.264 167 M C 1.962 178.040 176.300 -0.369 0.000 1.063 167 M CA 1.501 56.648 55.300 -0.256 0.000 1.114 167 M CB -1.110 31.415 32.600 -0.126 0.000 1.387 167 M HN 0.149 nan 8.290 nan 0.000 0.420 168 K N -0.019 120.260 120.400 -0.201 0.000 2.155 168 K HA -0.005 4.316 4.320 0.001 0.000 0.203 168 K C 2.048 178.516 176.600 -0.221 0.000 1.052 168 K CA 0.823 57.028 56.287 -0.137 0.000 0.948 168 K CB -0.089 32.370 32.500 -0.069 0.000 0.728 168 K HN 0.286 nan 8.250 nan 0.000 0.448 169 L N 0.370 121.387 121.223 -0.342 0.000 2.056 169 L HA -0.219 4.122 4.340 0.001 0.000 0.207 169 L C 2.752 179.124 176.870 -0.831 0.000 1.078 169 L CA 0.742 55.312 54.840 -0.449 0.000 0.749 169 L CB -0.585 41.238 42.059 -0.393 0.000 0.901 169 L HN 0.368 nan 8.230 nan 0.000 0.433 170 C N -0.159 118.456 119.300 -1.142 0.000 2.413 170 C HA -0.220 4.241 4.460 0.001 0.000 0.278 170 C C 2.959 177.693 174.990 -0.426 0.000 1.224 170 C CA 1.051 59.318 59.018 -1.252 0.000 1.732 170 C CB -0.924 26.236 27.740 -0.966 0.000 2.050 170 C HN 0.512 nan 8.230 nan 0.000 0.463 171 H N 0.073 118.995 119.070 -0.247 0.000 2.357 171 H HA 0.019 4.576 4.556 0.001 0.000 0.301 171 H C 2.524 177.786 175.328 -0.110 0.000 1.082 171 H CA 1.755 57.727 56.048 -0.127 0.000 1.342 171 H CB -1.365 28.338 29.762 -0.098 0.000 1.389 171 H HN 0.626 nan 8.280 nan 0.000 0.511 172 G N 1.467 110.267 108.800 -0.000 0.000 2.440 172 G HA2 -0.295 3.665 3.960 0.001 0.000 0.218 172 G HA3 -0.295 3.665 3.960 0.001 0.000 0.218 172 G C 1.436 176.336 174.900 -0.001 0.000 1.154 172 G CA 1.152 46.242 45.100 -0.016 0.000 0.767 172 G HN 0.614 nan 8.290 nan 0.000 0.552 173 H N 0.266 119.237 119.070 -0.164 0.000 2.567 173 H HA 0.176 4.733 4.556 0.001 0.000 0.276 173 H C 1.407 176.708 175.328 -0.046 0.000 1.016 173 H CA 0.501 56.495 56.048 -0.091 0.000 1.186 173 H CB -0.256 29.459 29.762 -0.078 0.000 1.351 173 H HN 0.389 nan 8.280 nan 0.000 0.605 174 L N -0.049 120.980 121.223 -0.323 0.000 3.086 174 L HA 0.167 4.508 4.340 0.001 0.000 0.274 174 L C -0.071 176.717 176.870 -0.137 0.000 1.184 174 L CA -0.287 54.363 54.840 -0.316 0.000 1.002 174 L CB 0.630 42.486 42.059 -0.339 0.000 1.383 174 L HN -0.032 nan 8.230 nan 0.000 0.582 175 D N 1.193 121.541 120.400 -0.086 0.000 2.349 175 D HA 0.169 4.810 4.640 0.001 0.000 0.266 175 D C 1.182 177.454 176.300 -0.048 0.000 1.293 175 D CA 0.287 54.254 54.000 -0.055 0.000 0.926 175 D CB 1.617 42.394 40.800 -0.037 0.000 1.090 175 D HN 0.209 nan 8.370 nan 0.000 0.502 176 A N 2.936 125.729 122.820 -0.045 0.000 2.070 176 A HA -0.150 4.171 4.320 0.001 0.000 0.220 176 A C 2.162 179.730 177.584 -0.026 0.000 1.159 176 A CA 1.532 53.548 52.037 -0.034 0.000 0.656 176 A CB -0.488 18.494 19.000 -0.031 0.000 0.800 176 A HN 0.597 nan 8.150 nan 0.000 0.453 177 S N -0.703 114.981 115.700 -0.027 0.000 2.442 177 S HA 0.076 4.546 4.470 0.001 0.000 0.236 177 S C 0.753 175.343 174.600 -0.017 0.000 1.007 177 S CA 0.242 58.429 58.200 -0.021 0.000 0.965 177 S CB -0.566 62.620 63.200 -0.023 0.000 0.773 177 S HN 0.408 nan 8.310 nan 0.000 0.504 178 L N 2.846 124.058 121.223 -0.018 0.000 2.399 178 L HA 0.332 4.673 4.340 0.001 0.000 0.266 178 L C 0.756 177.620 176.870 -0.009 0.000 1.114 178 L CA -0.661 54.172 54.840 -0.012 0.000 0.804 178 L CB 1.267 43.319 42.059 -0.011 0.000 1.146 178 L HN 0.375 nan 8.230 nan 0.000 0.451 179 S N 1.231 116.928 115.700 -0.005 0.000 2.584 179 S HA 0.023 4.493 4.470 0.001 0.000 0.270 179 S C 0.675 175.275 174.600 0.001 0.000 1.346 179 S CA -0.628 57.571 58.200 -0.002 0.000 1.018 179 S CB 1.265 64.465 63.200 -0.000 0.000 0.899 179 S HN 0.586 nan 8.310 nan 0.000 0.542 180 Q N 1.394 121.196 119.800 0.002 0.000 2.133 180 Q HA -0.148 4.193 4.340 0.001 0.000 0.208 180 Q C 1.976 177.983 176.000 0.011 0.000 0.991 180 Q CA 2.046 57.853 55.803 0.006 0.000 0.867 180 Q CB -0.403 28.339 28.738 0.007 0.000 0.911 180 Q HN 0.791 nan 8.270 nan 0.000 0.417 181 K N -0.488 119.918 120.400 0.010 0.000 2.097 181 K HA -0.072 4.248 4.320 0.001 0.000 0.206 181 K C 2.027 178.636 176.600 0.015 0.000 1.049 181 K CA 0.825 57.120 56.287 0.013 0.000 0.933 181 K CB 0.082 32.587 32.500 0.010 0.000 0.717 181 K HN 0.083 nan 8.250 nan 0.000 0.442 182 R N 0.339 120.846 120.500 0.012 0.000 2.066 182 R HA 0.029 4.370 4.340 0.001 0.000 0.224 182 R C 2.290 178.601 176.300 0.019 0.000 1.122 182 R CA 0.812 56.919 56.100 0.013 0.000 0.974 182 R CB -0.343 29.960 30.300 0.006 0.000 0.871 182 R HN 0.160 nan 8.270 nan 0.000 0.435 183 R N 0.541 121.051 120.500 0.016 0.000 2.094 183 R HA -0.121 4.220 4.340 0.001 0.000 0.239 183 R C 2.301 178.632 176.300 0.052 0.000 1.137 183 R CA 1.747 57.862 56.100 0.025 0.000 0.943 183 R CB -0.430 29.873 30.300 0.006 0.000 0.850 183 R HN 0.200 nan 8.270 nan 0.000 0.433 184 A N 0.908 123.754 122.820 0.043 0.000 1.883 184 A HA -0.195 4.126 4.320 0.001 0.000 0.217 184 A C 2.347 179.966 177.584 0.058 0.000 1.186 184 A CA 1.958 54.027 52.037 0.053 0.000 0.624 184 A CB -0.758 18.264 19.000 0.038 0.000 0.822 184 A HN 0.472 nan 8.150 nan 0.000 0.444 185 A N -0.515 122.331 122.820 0.044 0.000 1.933 185 A HA -0.026 4.295 4.320 0.001 0.000 0.218 185 A C 2.169 179.785 177.584 0.053 0.000 1.175 185 A CA 1.530 53.593 52.037 0.043 0.000 0.628 185 A CB -0.557 18.461 19.000 0.031 0.000 0.814 185 A HN 0.485 nan 8.150 nan 0.000 0.444 186 L N -0.956 120.299 121.223 0.054 0.000 2.109 186 L HA -0.050 4.291 4.340 0.001 0.000 0.207 186 L C 2.804 179.733 176.870 0.099 0.000 1.086 186 L CA 0.881 55.752 54.840 0.052 0.000 0.760 186 L CB -0.697 41.378 42.059 0.026 0.000 0.910 186 L HN 0.482 nan 8.230 nan 0.000 0.437 187 G N -0.276 108.610 108.800 0.144 0.000 2.404 187 G HA2 -0.234 3.726 3.960 0.001 0.000 0.215 187 G HA3 -0.234 3.726 3.960 0.001 0.000 0.215 187 G C 1.122 176.108 174.900 0.143 0.000 1.174 187 G CA 0.731 45.953 45.100 0.203 0.000 0.780 187 G HN 0.270 nan 8.290 nan 0.000 0.537 188 D N 0.225 120.684 120.400 0.099 0.000 2.144 188 D HA -0.073 4.567 4.640 0.001 0.000 0.199 188 D C 2.211 178.556 176.300 0.075 0.000 0.984 188 D CA 0.944 54.986 54.000 0.071 0.000 0.834 188 D CB -0.113 40.718 40.800 0.053 0.000 0.955 188 D HN 0.410 nan 8.370 nan 0.000 0.465 189 K N -0.479 119.977 120.400 0.093 0.000 2.097 189 K HA -0.131 4.190 4.320 0.001 0.000 0.205 189 K C 2.009 178.708 176.600 0.165 0.000 1.050 189 K CA 0.530 56.882 56.287 0.108 0.000 0.938 189 K CB -0.160 32.394 32.500 0.089 0.000 0.718 189 K HN -0.032 nan 8.250 nan 0.000 0.442 190 F N 1.577 121.492 119.950 -0.059 0.000 2.113 190 F HA -0.127 4.400 4.527 0.001 0.000 0.297 190 F C 2.064 177.841 175.800 -0.038 0.000 1.103 190 F CA 1.555 59.474 58.000 -0.135 0.000 1.248 190 F CB -0.610 38.187 39.000 -0.339 0.000 0.999 190 F HN -0.021 nan 8.300 nan 0.000 0.475 191 S N 0.519 116.146 115.700 -0.122 0.000 2.368 191 S HA -0.214 4.257 4.470 0.001 0.000 0.225 191 S C 2.148 176.697 174.600 -0.085 0.000 1.030 191 S CA 1.321 59.419 58.200 -0.172 0.000 0.999 191 S CB -0.503 62.654 63.200 -0.071 0.000 0.844 191 S HN 0.441 nan 8.310 nan 0.000 0.459 192 R N -0.050 120.447 120.500 -0.006 0.000 2.075 192 R HA -0.139 4.202 4.340 0.001 0.000 0.232 192 R C 2.202 178.509 176.300 0.012 0.000 1.126 192 R CA 1.294 57.398 56.100 0.006 0.000 0.963 192 R CB -0.481 29.840 30.300 0.035 0.000 0.858 192 R HN 0.500 nan 8.270 nan 0.000 0.435 193 Y N 1.240 121.528 120.300 -0.020 0.000 2.145 193 Y HA -0.217 4.334 4.550 0.001 0.000 0.286 193 Y C 1.970 177.869 175.900 -0.001 0.000 1.145 193 Y CA 1.945 60.062 58.100 0.028 0.000 1.148 193 Y CB -0.192 38.342 38.460 0.124 0.000 0.981 193 Y HN 0.029 nan 8.280 nan 0.000 0.507 194 L N -0.547 120.722 121.223 0.076 0.000 2.017 194 L HA -0.255 4.086 4.340 0.001 0.000 0.208 194 L C 2.425 179.241 176.870 -0.089 0.000 1.073 194 L CA 1.339 56.172 54.840 -0.011 0.000 0.745 194 L CB -0.729 41.223 42.059 -0.178 0.000 0.894 194 L HN 0.278 nan 8.230 nan 0.000 0.432 195 L N -0.363 120.800 121.223 -0.100 0.000 2.131 195 L HA -0.202 4.139 4.340 0.001 0.000 0.210 195 L C 2.810 179.618 176.870 -0.103 0.000 1.092 195 L CA 1.076 55.862 54.840 -0.089 0.000 0.759 195 L CB -0.701 41.315 42.059 -0.072 0.000 0.903 195 L HN 0.258 nan 8.230 nan 0.000 0.435 196 A N -0.436 122.298 122.820 -0.143 0.000 1.929 196 A HA -0.224 4.097 4.320 0.001 0.000 0.216 196 A C 2.319 179.788 177.584 -0.192 0.000 1.176 196 A CA 1.570 53.508 52.037 -0.165 0.000 0.628 196 A CB -0.418 18.458 19.000 -0.207 0.000 0.816 196 A HN 0.419 nan 8.150 nan 0.000 0.444 197 M N -0.498 118.953 119.600 -0.248 0.000 2.132 197 M HA -0.070 4.411 4.480 0.001 0.000 0.263 197 M C 1.835 178.070 176.300 -0.109 0.000 1.065 197 M CA 1.739 56.917 55.300 -0.203 0.000 1.122 197 M CB -0.284 32.205 32.600 -0.186 0.000 1.365 197 M HN 0.393 nan 8.290 nan 0.000 0.411 198 I N 0.347 120.867 120.570 -0.083 0.000 2.226 198 I HA -0.235 3.935 4.170 0.001 0.000 0.245 198 I C 2.577 178.664 176.117 -0.050 0.000 1.100 198 I CA 1.216 62.485 61.300 -0.051 0.000 1.374 198 I CB -0.555 37.419 38.000 -0.044 0.000 1.057 198 I HN 0.401 nan 8.210 nan 0.000 0.413 199 A N 0.573 123.356 122.820 -0.062 0.000 1.930 199 A HA -0.212 4.109 4.320 0.001 0.000 0.217 199 A C 2.396 179.950 177.584 -0.050 0.000 1.175 199 A CA 1.486 53.493 52.037 -0.051 0.000 0.627 199 A CB -0.553 18.415 19.000 -0.053 0.000 0.815 199 A HN 0.334 nan 8.150 nan 0.000 0.443 200 R N -0.244 120.216 120.500 -0.066 0.000 2.083 200 R HA -0.153 4.188 4.340 0.001 0.000 0.237 200 R C 1.948 178.220 176.300 -0.048 0.000 1.137 200 R CA 1.713 57.777 56.100 -0.061 0.000 0.951 200 R CB -0.231 30.020 30.300 -0.081 0.000 0.851 200 R HN 0.450 nan 8.270 nan 0.000 0.434 201 E N 0.443 120.614 120.200 -0.048 0.000 2.110 201 E HA -0.200 4.151 4.350 0.001 0.000 0.193 201 E C 2.080 178.666 176.600 -0.023 0.000 0.988 201 E CA 1.108 57.486 56.400 -0.036 0.000 0.804 201 E CB -0.132 29.548 29.700 -0.033 0.000 0.745 201 E HN 0.402 nan 8.360 nan 0.000 0.458 202 R N 0.560 121.048 120.500 -0.021 0.000 2.120 202 R HA -0.088 4.252 4.340 0.001 0.000 0.234 202 R C 2.235 178.527 176.300 -0.013 0.000 1.123 202 R CA 0.883 56.976 56.100 -0.011 0.000 0.975 202 R CB 0.046 30.339 30.300 -0.012 0.000 0.866 202 R HN 0.011 nan 8.270 nan 0.000 0.446 203 K N 0.336 120.725 120.400 -0.019 0.000 2.007 203 K HA -0.047 4.274 4.320 0.001 0.000 0.206 203 K C 0.660 177.250 176.600 -0.018 0.000 1.047 203 K CA 0.941 57.217 56.287 -0.019 0.000 0.937 203 K CB 0.159 32.646 32.500 -0.023 0.000 0.718 203 K HN 0.146 nan 8.250 nan 0.000 0.438 204 E N 1.311 121.499 120.200 -0.021 0.000 2.914 204 E HA 0.217 4.568 4.350 0.001 0.000 0.246 204 E C -2.702 173.885 176.600 -0.023 0.000 1.146 204 E CA -2.065 54.323 56.400 -0.020 0.000 0.803 204 E CB 1.361 31.047 29.700 -0.022 0.000 1.409 204 E HN -0.116 nan 8.360 nan 0.000 0.392 205 P HA 0.038 nan 4.420 nan 0.000 0.263 205 P C 0.002 177.286 177.300 -0.028 0.000 1.195 205 P CA 0.212 63.300 63.100 -0.021 0.000 0.762 205 P CB 1.077 32.770 31.700 -0.012 0.000 0.799 206 G N 2.238 111.015 108.800 -0.038 0.000 2.606 206 G HA2 0.158 4.118 3.960 0.001 0.000 0.262 206 G HA3 0.158 4.118 3.960 0.001 0.000 0.262 206 G C 0.390 175.256 174.900 -0.057 0.000 1.394 206 G CA -0.425 44.645 45.100 -0.049 0.000 1.044 206 G HN 0.391 nan 8.290 nan 0.000 0.553 207 E N -0.137 120.017 120.200 -0.077 0.000 2.474 207 E HA 0.088 4.439 4.350 0.001 0.000 0.194 207 E C 1.529 178.057 176.600 -0.119 0.000 1.041 207 E CA 0.123 56.471 56.400 -0.088 0.000 0.874 207 E CB 0.318 29.963 29.700 -0.093 0.000 0.914 207 E HN 0.380 nan 8.360 nan 0.000 0.498 208 G N 1.246 109.969 108.800 -0.128 0.000 2.684 208 G HA2 0.011 3.972 3.960 0.001 0.000 0.255 208 G HA3 0.011 3.972 3.960 0.001 0.000 0.255 208 G C 0.846 175.665 174.900 -0.136 0.000 1.219 208 G CA -0.381 44.630 45.100 -0.149 0.000 0.901 208 G HN 0.045 nan 8.290 nan 0.000 0.548 209 M N -0.194 119.305 119.600 -0.168 0.000 2.082 209 M HA -0.124 4.357 4.480 0.001 0.000 0.258 209 M C 2.405 178.666 176.300 -0.065 0.000 1.069 209 M CA 1.655 56.854 55.300 -0.169 0.000 1.102 209 M CB -0.313 32.156 32.600 -0.220 0.000 1.336 209 M HN 0.576 nan 8.290 nan 0.000 0.404 210 I N -0.359 120.191 120.570 -0.034 0.000 2.142 210 I HA -0.215 3.955 4.170 0.001 0.000 0.240 210 I C 2.561 178.679 176.117 0.002 0.000 1.078 210 I CA 1.491 62.796 61.300 0.009 0.000 1.343 210 I CB -1.186 36.815 38.000 0.002 0.000 1.046 210 I HN 0.454 nan 8.210 nan 0.000 0.405 211 G N 0.419 109.204 108.800 -0.025 0.000 2.422 211 G HA2 -0.219 3.742 3.960 0.001 0.000 0.218 211 G HA3 -0.219 3.742 3.960 0.001 0.000 0.218 211 G C 1.851 176.747 174.900 -0.007 0.000 1.146 211 G CA 0.844 45.932 45.100 -0.020 0.000 0.769 211 G HN 0.501 nan 8.290 nan 0.000 0.547 212 A N 0.049 122.858 122.820 -0.019 0.000 1.898 212 A HA 0.117 4.437 4.320 0.001 0.000 0.216 212 A C 2.606 180.220 177.584 0.049 0.000 1.181 212 A CA 1.741 53.777 52.037 -0.003 0.000 0.620 212 A CB -0.568 18.412 19.000 -0.033 0.000 0.819 212 A HN 0.236 nan 8.150 nan 0.000 0.442 213 V N 0.311 120.262 119.914 0.061 0.000 2.270 213 V HA -0.239 3.881 4.120 0.001 0.000 0.245 213 V C 2.788 178.985 176.094 0.171 0.000 1.043 213 V CA 2.068 64.443 62.300 0.126 0.000 1.014 213 V CB -0.916 30.966 31.823 0.099 0.000 0.645 213 V HN 0.595 nan 8.190 nan 0.000 0.447 214 V N -0.472 119.506 119.914 0.106 0.000 2.407 214 V HA -0.173 3.948 4.120 0.001 0.000 0.248 214 V C 2.472 178.614 176.094 0.081 0.000 1.055 214 V CA 1.943 64.302 62.300 0.097 0.000 1.049 214 V CB -1.502 30.351 31.823 0.051 0.000 0.662 214 V HN 0.394 nan 8.190 nan 0.000 0.455 215 A N 0.310 123.164 122.820 0.056 0.000 1.940 215 A HA -0.257 4.064 4.320 0.001 0.000 0.219 215 A C 2.319 179.917 177.584 0.023 0.000 1.176 215 A CA 2.198 54.252 52.037 0.028 0.000 0.631 215 A CB -0.556 18.452 19.000 0.013 0.000 0.814 215 A HN 0.758 nan 8.150 nan 0.000 0.446 216 E N -2.312 117.924 120.200 0.060 0.000 2.102 216 E HA -0.071 4.280 4.350 0.001 0.000 0.190 216 E C 1.486 178.001 176.600 -0.142 0.000 0.971 216 E CA 0.746 57.137 56.400 -0.015 0.000 0.821 216 E CB -0.094 29.640 29.700 0.057 0.000 0.777 216 E HN 0.682 nan 8.360 nan 0.000 0.460 217 Y N -0.247 120.058 120.300 0.008 0.000 2.503 217 Y HA 0.266 4.817 4.550 0.001 0.000 0.277 217 Y C 1.411 177.313 175.900 0.005 0.000 1.102 217 Y CA 0.547 58.653 58.100 0.010 0.000 1.261 217 Y CB 0.522 38.996 38.460 0.024 0.000 1.096 217 Y HN 0.246 nan 8.280 nan 0.000 0.546 218 G N 0.833 109.712 108.800 0.132 0.000 2.566 218 G HA2 -0.384 3.576 3.960 0.001 0.000 0.280 218 G HA3 -0.384 3.576 3.960 0.001 0.000 0.280 218 G C 0.554 175.501 174.900 0.079 0.000 1.225 218 G CA 0.501 45.645 45.100 0.072 0.000 0.966 218 G HN 0.263 nan 8.290 nan 0.000 0.560 219 D N 0.947 121.375 120.400 0.047 0.000 2.354 219 D HA 0.003 4.644 4.640 0.001 0.000 0.216 219 D C 1.845 178.174 176.300 0.049 0.000 0.970 219 D CA 1.413 55.434 54.000 0.036 0.000 0.905 219 D CB -0.293 40.518 40.800 0.019 0.000 0.903 219 D HN 0.431 nan 8.370 nan 0.000 0.508 220 D N 0.124 120.578 120.400 0.089 0.000 2.269 220 D HA -0.000 4.640 4.640 0.001 0.000 0.208 220 D C 0.606 176.961 176.300 0.092 0.000 0.963 220 D CA 0.465 54.531 54.000 0.111 0.000 0.864 220 D CB -0.073 40.845 40.800 0.197 0.000 0.936 220 D HN 0.095 nan 8.370 nan 0.000 0.505 221 A N 1.129 124.003 122.820 0.091 0.000 2.316 221 A HA 0.442 4.763 4.320 0.001 0.000 0.311 221 A C 0.721 178.293 177.584 -0.019 0.000 1.339 221 A CA -0.572 51.471 52.037 0.008 0.000 0.960 221 A CB -0.150 18.871 19.000 0.035 0.000 1.152 221 A HN 0.123 nan 8.150 nan 0.000 0.547 222 T N -0.036 114.479 114.554 -0.065 0.000 2.813 222 T HA 0.177 4.528 4.350 0.001 0.000 0.297 222 T C 0.476 175.124 174.700 -0.086 0.000 1.036 222 T CA 0.005 62.066 62.100 -0.065 0.000 1.044 222 T CB 0.556 69.382 68.868 -0.070 0.000 0.993 222 T HN 0.481 nan 8.240 nan 0.000 0.535 223 D N 0.330 120.691 120.400 -0.066 0.000 2.123 223 D HA -0.094 4.547 4.640 0.001 0.000 0.196 223 D C 2.015 178.257 176.300 -0.097 0.000 0.992 223 D CA 1.086 55.045 54.000 -0.069 0.000 0.833 223 D CB -0.079 40.689 40.800 -0.053 0.000 0.954 223 D HN 0.611 nan 8.370 nan 0.000 0.455 224 E N 0.740 120.879 120.200 -0.102 0.000 2.107 224 E HA -0.105 4.246 4.350 0.001 0.000 0.191 224 E C 2.026 178.508 176.600 -0.197 0.000 0.982 224 E CA 0.447 56.778 56.400 -0.114 0.000 0.809 224 E CB -0.069 29.583 29.700 -0.080 0.000 0.756 224 E HN 0.483 nan 8.360 nan 0.000 0.459 225 E N 0.535 120.565 120.200 -0.282 0.000 2.031 225 E HA -0.139 4.211 4.350 0.001 0.000 0.193 225 E C 2.296 178.432 176.600 -0.772 0.000 0.994 225 E CA 0.842 56.887 56.400 -0.591 0.000 0.800 225 E CB -0.092 29.263 29.700 -0.575 0.000 0.752 225 E HN 0.165 nan 8.360 nan 0.000 0.447 226 L N 0.408 121.402 121.223 -0.381 0.000 2.093 226 L HA -0.161 4.180 4.340 0.001 0.000 0.208 226 L C 2.738 179.579 176.870 -0.048 0.000 1.085 226 L CA 1.004 55.771 54.840 -0.121 0.000 0.755 226 L CB -0.365 41.687 42.059 -0.013 0.000 0.904 226 L HN 0.075 nan 8.230 nan 0.000 0.435 227 R N 0.356 120.799 120.500 -0.096 0.000 2.073 227 R HA -0.134 4.207 4.340 0.001 0.000 0.234 227 R C 2.273 178.552 176.300 -0.035 0.000 1.134 227 R CA 1.519 57.576 56.100 -0.072 0.000 0.952 227 R CB -0.486 29.753 30.300 -0.101 0.000 0.850 227 R HN 0.379 nan 8.270 nan 0.000 0.433 228 G N 0.005 108.763 108.800 -0.069 0.000 2.422 228 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 228 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 228 G C 1.396 176.391 174.900 0.157 0.000 1.146 228 G CA 0.553 45.658 45.100 0.009 0.000 0.769 228 G HN 0.325 nan 8.290 nan 0.000 0.547 229 F N 0.497 120.485 119.950 0.063 0.000 2.095 229 F HA -0.182 4.346 4.527 0.002 0.000 0.298 229 F C 3.100 178.970 175.800 0.118 0.000 1.104 229 F CA 0.601 58.651 58.000 0.085 0.000 1.232 229 F CB -0.293 38.746 39.000 0.065 0.000 0.987 229 F HN 0.173 nan 8.300 nan 0.000 0.475 230 C N -0.291 119.193 119.300 0.306 0.000 2.436 230 C HA -0.150 4.310 4.460 0.001 0.000 0.277 230 C C 2.772 177.923 174.990 0.269 0.000 1.241 230 C CA 0.667 59.835 59.018 0.251 0.000 1.721 230 C CB -1.048 26.805 27.740 0.189 0.000 2.043 230 C HN 0.297 nan 8.230 nan 0.000 0.472 231 V N 0.409 120.459 119.914 0.227 0.000 2.252 231 V HA -0.277 3.844 4.120 0.001 0.000 0.249 231 V C 2.599 178.859 176.094 0.276 0.000 1.056 231 V CA 2.117 64.590 62.300 0.288 0.000 1.022 231 V CB -0.805 31.175 31.823 0.262 0.000 0.641 231 V HN 0.459 nan 8.190 nan 0.000 0.445 232 Q N -0.531 119.421 119.800 0.254 0.000 2.167 232 Q HA -0.086 4.254 4.340 0.001 0.000 0.202 232 Q C 2.151 178.277 176.000 0.210 0.000 0.970 232 Q CA 1.402 57.342 55.803 0.228 0.000 0.855 232 Q CB -0.636 28.247 28.738 0.240 0.000 0.911 232 Q HN 0.538 nan 8.270 nan 0.000 0.438 233 V N -0.046 120.008 119.914 0.233 0.000 2.358 233 V HA -0.234 3.886 4.120 0.001 0.000 0.246 233 V C 2.056 178.283 176.094 0.222 0.000 1.047 233 V CA 1.340 63.779 62.300 0.233 0.000 1.035 233 V CB -0.416 31.577 31.823 0.284 0.000 0.658 233 V HN 0.363 nan 8.190 nan 0.000 0.452 234 M N -0.913 118.832 119.600 0.243 0.000 2.159 234 M HA -0.134 4.346 4.480 0.001 0.000 0.263 234 M C 2.125 178.541 176.300 0.195 0.000 1.063 234 M CA 1.735 57.174 55.300 0.231 0.000 1.110 234 M CB -1.257 31.503 32.600 0.266 0.000 1.374 234 M HN 0.358 nan 8.290 nan 0.000 0.411 235 L N 0.397 121.736 121.223 0.193 0.000 2.068 235 L HA 0.082 4.422 4.340 0.001 0.000 0.204 235 L C 2.418 179.374 176.870 0.143 0.000 1.076 235 L CA 1.832 56.771 54.840 0.165 0.000 0.753 235 L CB -1.004 41.151 42.059 0.161 0.000 0.910 235 L HN 0.217 nan 8.230 nan 0.000 0.439 236 A N -0.916 121.990 122.820 0.144 0.000 2.015 236 A HA 0.057 4.377 4.320 0.001 0.000 0.219 236 A C 1.900 179.561 177.584 0.128 0.000 1.163 236 A CA 1.256 53.367 52.037 0.124 0.000 0.646 236 A CB -1.058 18.008 19.000 0.110 0.000 0.806 236 A HN 0.506 nan 8.150 nan 0.000 0.448 237 G N -1.664 107.222 108.800 0.143 0.000 3.805 237 G HA2 0.297 4.258 3.960 0.001 0.000 0.290 237 G HA3 0.297 4.258 3.960 0.001 0.000 0.290 237 G C 0.468 175.445 174.900 0.129 0.000 1.077 237 G CA 0.677 45.861 45.100 0.141 0.000 0.852 237 G HN 0.326 nan 8.290 nan 0.000 0.531 238 D N 0.344 120.820 120.400 0.126 0.000 3.012 238 D HA -0.031 4.610 4.640 0.001 0.000 0.284 238 D C 1.453 177.810 176.300 0.094 0.000 1.259 238 D CA 0.221 54.293 54.000 0.120 0.000 1.036 238 D CB 0.492 41.385 40.800 0.155 0.000 1.167 238 D HN -0.042 nan 8.370 nan 0.000 0.429 239 D N 0.662 121.114 120.400 0.087 0.000 2.123 239 D HA -0.130 4.511 4.640 0.001 0.000 0.196 239 D C 1.671 178.007 176.300 0.060 0.000 0.992 239 D CA 0.780 54.818 54.000 0.065 0.000 0.833 239 D CB -0.335 40.502 40.800 0.063 0.000 0.954 239 D HN 0.191 nan 8.370 nan 0.000 0.455 240 N N 0.315 119.056 118.700 0.069 0.000 2.166 240 N HA -0.092 4.649 4.740 0.001 0.000 0.186 240 N C 1.794 177.345 175.510 0.068 0.000 1.019 240 N CA 0.471 53.556 53.050 0.059 0.000 0.856 240 N CB -0.062 38.472 38.487 0.078 0.000 0.993 240 N HN 0.229 nan 8.380 nan 0.000 0.426 241 I N 0.877 121.496 120.570 0.080 0.000 2.277 241 I HA -0.130 4.041 4.170 0.001 0.000 0.243 241 I C 2.261 178.410 176.117 0.054 0.000 1.094 241 I CA 0.922 62.265 61.300 0.073 0.000 1.393 241 I CB -1.326 36.717 38.000 0.071 0.000 1.078 241 I HN 0.120 nan 8.210 nan 0.000 0.417 242 S N 1.026 116.756 115.700 0.050 0.000 2.399 242 S HA -0.077 4.393 4.470 0.001 0.000 0.231 242 S C 2.163 176.788 174.600 0.042 0.000 1.022 242 S CA 1.051 59.274 58.200 0.038 0.000 0.983 242 S CB -1.168 62.051 63.200 0.032 0.000 0.803 242 S HN 0.439 nan 8.310 nan 0.000 0.480 243 G N 1.673 110.499 108.800 0.043 0.000 2.402 243 G HA2 -0.079 3.882 3.960 0.001 0.000 0.216 243 G HA3 -0.079 3.882 3.960 0.001 0.000 0.216 243 G C 1.472 176.412 174.900 0.066 0.000 1.162 243 G CA 0.946 46.068 45.100 0.037 0.000 0.777 243 G HN 0.349 nan 8.290 nan 0.000 0.539 244 M N 0.286 119.939 119.600 0.088 0.000 2.229 244 M HA 0.145 4.625 4.480 0.001 0.000 0.264 244 M C 2.561 179.009 176.300 0.246 0.000 1.063 244 M CA 0.763 56.154 55.300 0.152 0.000 1.114 244 M CB -0.747 31.941 32.600 0.147 0.000 1.387 244 M HN 0.237 nan 8.290 nan 0.000 0.420 245 I N -0.727 119.940 120.570 0.162 0.000 2.202 245 I HA -0.191 3.979 4.170 0.001 0.000 0.242 245 I C 2.484 178.740 176.117 0.232 0.000 1.091 245 I CA 1.373 62.785 61.300 0.186 0.000 1.368 245 I CB -0.864 37.148 38.000 0.021 0.000 1.058 245 I HN 0.300 nan 8.210 nan 0.000 0.410 246 G N 0.966 109.840 108.800 0.124 0.000 2.414 246 G HA2 -0.174 3.787 3.960 0.001 0.000 0.215 246 G HA3 -0.174 3.787 3.960 0.001 0.000 0.215 246 G C 1.677 176.635 174.900 0.097 0.000 1.188 246 G CA 0.468 45.618 45.100 0.084 0.000 0.783 246 G HN 0.256 nan 8.290 nan 0.000 0.537 247 L N 0.926 122.210 121.223 0.102 0.000 2.201 247 L HA 0.095 4.435 4.340 0.001 0.000 0.212 247 L C 3.086 180.046 176.870 0.151 0.000 1.105 247 L CA 0.715 55.626 54.840 0.118 0.000 0.775 247 L CB -0.431 41.695 42.059 0.112 0.000 0.913 247 L HN 0.317 nan 8.230 nan 0.000 0.440 248 G N -0.386 108.527 108.800 0.188 0.000 2.402 248 G HA2 -0.159 3.802 3.960 0.001 0.000 0.216 248 G HA3 -0.159 3.802 3.960 0.001 0.000 0.216 248 G C 1.583 176.479 174.900 -0.008 0.000 1.162 248 G CA 0.749 45.897 45.100 0.080 0.000 0.777 248 G HN 0.161 nan 8.290 nan 0.000 0.539 249 V N 0.781 120.776 119.914 0.134 0.000 2.358 249 V HA -0.119 4.002 4.120 0.001 0.000 0.246 249 V C 2.668 178.873 176.094 0.185 0.000 1.047 249 V CA 1.560 63.974 62.300 0.190 0.000 1.035 249 V CB -0.439 31.456 31.823 0.120 0.000 0.658 249 V HN 0.349 nan 8.190 nan 0.000 0.452 250 L N 1.110 122.412 121.223 0.132 0.000 2.012 250 L HA -0.122 4.219 4.340 0.001 0.000 0.210 250 L C 2.461 179.430 176.870 0.165 0.000 1.073 250 L CA 2.489 57.401 54.840 0.120 0.000 0.748 250 L CB -1.081 41.024 42.059 0.077 0.000 0.891 250 L HN 0.223 nan 8.230 nan 0.000 0.431 251 A N -0.863 122.067 122.820 0.183 0.000 1.908 251 A HA -0.213 4.107 4.320 0.001 0.000 0.218 251 A C 2.190 179.915 177.584 0.236 0.000 1.181 251 A CA 2.225 54.400 52.037 0.231 0.000 0.627 251 A CB -0.524 18.576 19.000 0.168 0.000 0.818 251 A HN 0.496 nan 8.150 nan 0.000 0.445 252 M N -0.393 119.284 119.600 0.127 0.000 2.099 252 M HA 0.005 4.485 4.480 0.001 0.000 0.262 252 M C 2.150 178.524 176.300 0.124 0.000 1.067 252 M CA 1.170 56.509 55.300 0.065 0.000 1.124 252 M CB -1.509 31.053 32.600 -0.063 0.000 1.353 252 M HN 0.373 nan 8.290 nan 0.000 0.410 253 L N -0.743 120.604 121.223 0.207 0.000 2.187 253 L HA -0.196 4.145 4.340 0.001 0.000 0.213 253 L C 2.440 179.362 176.870 0.087 0.000 1.100 253 L CA 0.999 55.947 54.840 0.181 0.000 0.765 253 L CB -0.532 41.644 42.059 0.194 0.000 0.904 253 L HN 0.325 nan 8.230 nan 0.000 0.437 254 R N -1.167 119.381 120.500 0.080 0.000 2.275 254 R HA 0.002 4.343 4.340 0.001 0.000 0.199 254 R C -0.039 176.055 176.300 -0.342 0.000 0.989 254 R CA 0.388 56.442 56.100 -0.077 0.000 1.016 254 R CB 0.130 30.403 30.300 -0.044 0.000 0.918 254 R HN 0.403 nan 8.270 nan 0.000 0.473 255 H N -0.647 118.411 119.070 -0.020 0.000 2.439 255 H HA 0.154 4.711 4.556 0.001 0.000 0.230 255 H C -1.863 173.420 175.328 -0.075 0.000 1.420 255 H CA -1.734 54.280 56.048 -0.057 0.000 1.305 255 H CB 0.933 30.636 29.762 -0.098 0.000 1.667 255 H HN -0.005 nan 8.280 nan 0.000 0.515 256 P HA -0.218 nan 4.420 nan 0.000 0.219 256 P C 1.026 178.294 177.300 -0.054 0.000 1.146 256 P CA 1.242 64.325 63.100 -0.028 0.000 0.808 256 P CB 0.465 32.161 31.700 -0.005 0.000 0.779 257 E N 0.123 120.301 120.200 -0.038 0.000 2.478 257 E HA -0.148 4.203 4.350 0.001 0.000 0.198 257 E C 1.691 178.243 176.600 -0.080 0.000 1.046 257 E CA 0.504 56.874 56.400 -0.050 0.000 0.870 257 E CB -0.542 29.138 29.700 -0.033 0.000 0.818 257 E HN 0.364 nan 8.360 nan 0.000 0.527 258 Q N 0.226 119.969 119.800 -0.095 0.000 2.384 258 Q HA 0.174 4.514 4.340 0.001 0.000 0.207 258 Q C 2.003 177.867 176.000 -0.227 0.000 0.904 258 Q CA 0.034 55.748 55.803 -0.148 0.000 0.933 258 Q CB 0.214 28.868 28.738 -0.140 0.000 1.077 258 Q HN 0.386 nan 8.270 nan 0.000 0.522 259 I N 1.317 121.730 120.570 -0.262 0.000 2.423 259 I HA -0.260 3.911 4.170 0.001 0.000 0.254 259 I C 1.189 177.124 176.117 -0.304 0.000 1.151 259 I CA 0.891 61.935 61.300 -0.427 0.000 1.421 259 I CB -0.131 37.502 38.000 -0.611 0.000 1.079 259 I HN 0.101 nan 8.210 nan 0.000 0.431 260 D N 1.132 121.410 120.400 -0.204 0.000 2.311 260 D HA -0.123 4.517 4.640 0.001 0.000 0.212 260 D C 2.160 178.364 176.300 -0.159 0.000 0.972 260 D CA 1.053 54.972 54.000 -0.135 0.000 0.887 260 D CB 0.014 40.756 40.800 -0.098 0.000 0.915 260 D HN 0.358 nan 8.370 nan 0.000 0.497 261 A N -0.734 121.921 122.820 -0.275 0.000 2.121 261 A HA -0.089 4.232 4.320 0.001 0.000 0.218 261 A C 1.485 178.783 177.584 -0.477 0.000 1.154 261 A CA 0.602 52.403 52.037 -0.394 0.000 0.679 261 A CB -0.595 18.076 19.000 -0.548 0.000 0.795 261 A HN 0.234 nan 8.150 nan 0.000 0.458 262 F N -1.121 118.781 119.950 -0.081 0.000 2.664 262 F HA 0.214 4.742 4.527 0.001 0.000 0.303 262 F C 1.678 177.509 175.800 0.051 0.000 1.092 262 F CA -0.090 57.924 58.000 0.023 0.000 1.305 262 F CB 0.520 39.570 39.000 0.083 0.000 1.054 262 F HN 0.034 nan 8.300 nan 0.000 0.565 263 R N -0.014 120.551 120.500 0.108 0.000 2.586 263 R HA 0.336 4.677 4.340 0.001 0.000 0.336 263 R C 0.712 177.042 176.300 0.049 0.000 1.060 263 R CA 0.074 56.230 56.100 0.092 0.000 1.079 263 R CB 0.613 30.948 30.300 0.058 0.000 1.317 263 R HN 0.340 nan 8.270 nan 0.000 0.568 264 G N 0.693 109.514 108.800 0.035 0.000 3.340 264 G HA2 0.129 4.090 3.960 0.001 0.000 0.176 264 G HA3 0.129 4.090 3.960 0.001 0.000 0.176 264 G C -0.863 174.053 174.900 0.027 0.000 1.103 264 G CA -0.386 44.724 45.100 0.015 0.000 0.779 264 G HN 0.174 nan 8.290 nan 0.000 0.673 265 D N -0.614 119.794 120.400 0.013 0.000 2.433 265 D HA 0.209 4.850 4.640 0.001 0.000 0.255 265 D C 1.087 177.408 176.300 0.035 0.000 1.226 265 D CA -0.352 53.662 54.000 0.023 0.000 1.015 265 D CB 1.179 41.987 40.800 0.013 0.000 1.091 265 D HN 0.464 nan 8.370 nan 0.000 0.527 266 E N -1.102 119.125 120.200 0.044 0.000 2.106 266 E HA -0.271 4.080 4.350 0.001 0.000 0.192 266 E C 1.791 178.422 176.600 0.051 0.000 0.984 266 E CA 0.721 57.158 56.400 0.062 0.000 0.806 266 E CB 0.047 29.783 29.700 0.059 0.000 0.750 266 E HN 0.582 nan 8.360 nan 0.000 0.458 267 Q N 0.169 119.987 119.800 0.030 0.000 2.061 267 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 267 Q C 2.286 178.285 176.000 -0.002 0.000 0.984 267 Q CA 1.764 57.580 55.803 0.020 0.000 0.846 267 Q CB -0.183 28.561 28.738 0.010 0.000 0.902 267 Q HN 0.167 nan 8.270 nan 0.000 0.421 268 S N -0.499 115.185 115.700 -0.027 0.000 2.365 268 S HA -0.205 4.265 4.470 0.001 0.000 0.225 268 S C 1.853 176.365 174.600 -0.148 0.000 1.039 268 S CA 1.384 59.533 58.200 -0.085 0.000 1.033 268 S CB -0.329 62.818 63.200 -0.089 0.000 0.887 268 S HN 0.571 nan 8.310 nan 0.000 0.447 269 A N 0.324 123.094 122.820 -0.083 0.000 1.929 269 A HA -0.055 4.265 4.320 0.001 0.000 0.216 269 A C 2.090 179.724 177.584 0.083 0.000 1.176 269 A CA 1.660 53.665 52.037 -0.054 0.000 0.628 269 A CB -0.736 18.404 19.000 0.234 0.000 0.816 269 A HN 0.496 nan 8.150 nan 0.000 0.444 270 Q N 0.213 120.071 119.800 0.096 0.000 2.079 270 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 270 Q C 2.178 178.240 176.000 0.103 0.000 0.974 270 Q CA 1.518 57.401 55.803 0.134 0.000 0.840 270 Q CB -0.337 28.468 28.738 0.112 0.000 0.898 270 Q HN 0.597 nan 8.270 nan 0.000 0.430 271 R N -0.301 120.219 120.500 0.034 0.000 2.096 271 R HA -0.040 4.300 4.340 0.001 0.000 0.235 271 R C 2.057 178.347 176.300 -0.018 0.000 1.127 271 R CA 1.176 57.285 56.100 0.015 0.000 0.968 271 R CB -0.693 29.593 30.300 -0.023 0.000 0.861 271 R HN 0.314 nan 8.270 nan 0.000 0.440 272 A N 0.835 123.588 122.820 -0.111 0.000 1.898 272 A HA -0.072 4.248 4.320 0.001 0.000 0.216 272 A C 2.481 180.106 177.584 0.068 0.000 1.181 272 A CA 1.165 53.094 52.037 -0.179 0.000 0.620 272 A CB -0.497 18.109 19.000 -0.657 0.000 0.819 272 A HN 0.083 nan 8.150 nan 0.000 0.442 273 V N 0.825 120.885 119.914 0.244 0.000 2.287 273 V HA -0.266 3.855 4.120 0.001 0.000 0.248 273 V C 2.191 178.426 176.094 0.236 0.000 1.053 273 V CA 2.376 64.901 62.300 0.376 0.000 1.027 273 V CB -0.817 31.266 31.823 0.433 0.000 0.646 273 V HN 0.508 nan 8.190 nan 0.000 0.447 274 D N -0.335 120.183 120.400 0.197 0.000 2.123 274 D HA -0.198 4.443 4.640 0.001 0.000 0.196 274 D C 2.184 178.543 176.300 0.098 0.000 0.992 274 D CA 1.639 55.755 54.000 0.193 0.000 0.833 274 D CB -0.178 40.753 40.800 0.218 0.000 0.954 274 D HN 0.554 nan 8.370 nan 0.000 0.455 275 E N 0.623 120.863 120.200 0.066 0.000 2.106 275 E HA -0.091 4.260 4.350 0.001 0.000 0.192 275 E C 2.182 178.794 176.600 0.019 0.000 0.984 275 E CA 0.663 57.074 56.400 0.019 0.000 0.806 275 E CB -0.367 29.310 29.700 -0.038 0.000 0.750 275 E HN 0.243 nan 8.360 nan 0.000 0.458 276 L N 0.034 121.284 121.223 0.046 0.000 2.056 276 L HA -0.100 4.241 4.340 0.001 0.000 0.207 276 L C 2.500 179.405 176.870 0.060 0.000 1.078 276 L CA 0.975 55.864 54.840 0.082 0.000 0.749 276 L CB -0.362 41.768 42.059 0.118 0.000 0.901 276 L HN 0.210 nan 8.230 nan 0.000 0.433 277 I N -0.501 120.059 120.570 -0.016 0.000 2.226 277 I HA -0.312 3.859 4.170 0.001 0.000 0.245 277 I C 2.877 178.788 176.117 -0.344 0.000 1.100 277 I CA 1.225 62.408 61.300 -0.196 0.000 1.374 277 I CB -0.365 37.430 38.000 -0.341 0.000 1.057 277 I HN 0.271 nan 8.210 nan 0.000 0.413 278 R N 0.399 120.677 120.500 -0.369 0.000 2.070 278 R HA -0.253 4.088 4.340 0.001 0.000 0.233 278 R C 2.589 178.851 176.300 -0.064 0.000 1.137 278 R CA 1.898 57.829 56.100 -0.283 0.000 0.945 278 R CB -0.619 29.631 30.300 -0.083 0.000 0.845 278 R HN 0.295 nan 8.270 nan 0.000 0.430 279 Y N 1.238 121.467 120.300 -0.117 0.000 2.181 279 Y HA -0.146 4.405 4.550 0.001 0.000 0.288 279 Y C 1.882 177.749 175.900 -0.056 0.000 1.146 279 Y CA 1.806 59.861 58.100 -0.076 0.000 1.164 279 Y CB -0.107 38.307 38.460 -0.076 0.000 0.982 279 Y HN 0.063 nan 8.280 nan 0.000 0.515 280 L N -1.013 120.191 121.223 -0.032 0.000 2.375 280 L HA 0.006 4.347 4.340 0.001 0.000 0.215 280 L C 0.619 177.426 176.870 -0.106 0.000 1.108 280 L CA 0.558 55.354 54.840 -0.073 0.000 0.830 280 L CB -0.816 41.283 42.059 0.068 0.000 0.959 280 L HN -0.079 nan 8.230 nan 0.000 0.457 281 T N 1.257 115.725 114.554 -0.142 0.000 2.418 281 T HA -0.134 4.216 4.350 0.001 0.000 0.513 281 T C 1.400 176.000 174.700 -0.167 0.000 0.816 281 T CA 0.650 62.649 62.100 -0.168 0.000 3.342 281 T CB -0.793 67.987 68.868 -0.146 0.000 1.249 281 T HN 0.357 nan 8.240 nan 0.000 0.319 282 V N 0.521 120.351 119.914 -0.141 0.000 2.515 282 V HA 0.056 4.177 4.120 0.001 0.000 0.250 282 V C -1.519 174.403 176.094 -0.287 0.000 1.058 282 V CA 0.294 62.504 62.300 -0.151 0.000 1.064 282 V CB -1.285 30.501 31.823 -0.061 0.000 0.675 282 V HN 0.475 nan 8.190 nan 0.000 0.461 283 P HA 0.240 nan 4.420 nan 0.000 0.281 283 P C -0.203 176.978 177.300 -0.198 0.000 1.252 283 P CA 0.074 63.070 63.100 -0.174 0.000 0.778 283 P CB 0.382 32.049 31.700 -0.054 0.000 0.895 284 Y N 0.858 121.162 120.300 0.007 0.000 2.263 284 Y HA -0.052 4.499 4.550 0.001 0.000 0.292 284 Y C 1.360 177.288 175.900 0.046 0.000 1.130 284 Y CA 1.198 59.301 58.100 0.005 0.000 1.179 284 Y CB 0.042 38.502 38.460 0.000 0.000 0.998 284 Y HN 0.370 nan 8.280 nan 0.000 0.532 285 S N -1.272 114.549 115.700 0.201 0.000 2.565 285 S HA 0.524 4.995 4.470 0.001 0.000 0.269 285 S C -3.006 171.624 174.600 0.049 0.000 1.153 285 S CA -1.456 56.801 58.200 0.094 0.000 0.835 285 S CB 2.180 65.416 63.200 0.061 0.000 1.122 285 S HN -0.138 nan 8.310 nan 0.000 0.462 286 P HA 0.379 nan 4.420 nan 0.000 0.302 286 P C -0.507 176.778 177.300 -0.025 0.000 1.307 286 P CA -0.322 62.776 63.100 -0.003 0.000 0.754 286 P CB -0.096 31.598 31.700 -0.009 0.000 1.298 287 T N 1.577 116.102 114.554 -0.049 0.000 2.934 287 T HA 0.132 4.483 4.350 0.001 0.000 0.306 287 T C -2.080 172.585 174.700 -0.058 0.000 1.042 287 T CA -0.202 61.862 62.100 -0.060 0.000 1.145 287 T CB -1.043 67.755 68.868 -0.117 0.000 0.982 287 T HN 0.335 nan 8.240 nan 0.000 0.544 288 P HA 0.175 nan 4.420 nan 0.000 0.266 288 P C -0.154 177.151 177.300 0.008 0.000 1.195 288 P CA -0.280 62.803 63.100 -0.029 0.000 0.768 288 P CB 0.512 32.205 31.700 -0.012 0.000 0.838 289 R N 2.745 123.262 120.500 0.030 0.000 2.474 289 R HA 0.556 4.897 4.340 0.001 0.000 0.295 289 R C -0.108 176.315 176.300 0.204 0.000 0.980 289 R CA -0.731 55.429 56.100 0.100 0.000 0.934 289 R CB 0.521 30.850 30.300 0.048 0.000 1.101 289 R HN 0.490 nan 8.270 nan 0.000 0.469 290 I N 1.668 122.376 120.570 0.230 0.000 2.389 290 I HA 0.316 4.487 4.170 0.001 0.000 0.288 290 I C 0.273 176.511 176.117 0.201 0.000 0.999 290 I CA -1.041 60.384 61.300 0.208 0.000 1.129 290 I CB 1.945 40.018 38.000 0.120 0.000 1.288 290 I HN 0.548 nan 8.210 nan 0.000 0.444 291 A N 6.431 129.361 122.820 0.184 0.000 2.524 291 A HA 0.210 4.530 4.320 0.001 0.000 0.250 291 A C 0.881 178.410 177.584 -0.092 0.000 1.078 291 A CA 0.073 52.048 52.037 -0.103 0.000 0.761 291 A CB -0.023 18.934 19.000 -0.072 0.000 1.012 291 A HN 0.838 nan 8.150 nan 0.000 0.500 292 R N 0.952 121.352 120.500 -0.168 0.000 2.334 292 R HA 0.187 4.528 4.340 0.001 0.000 0.220 292 R C 0.287 176.528 176.300 -0.098 0.000 0.917 292 R CA 0.744 56.789 56.100 -0.090 0.000 1.073 292 R CB 0.089 30.345 30.300 -0.074 0.000 1.056 292 R HN 0.942 nan 8.270 nan 0.000 0.506 293 E N 0.043 120.164 120.200 -0.132 0.000 2.383 293 E HA 0.031 4.382 4.350 0.001 0.000 0.274 293 E C -1.876 174.652 176.600 -0.119 0.000 1.205 293 E CA -0.762 55.576 56.400 -0.103 0.000 0.912 293 E CB 0.393 30.031 29.700 -0.104 0.000 1.345 293 E HN -0.085 nan 8.360 nan 0.000 0.413 294 D N 0.902 121.255 120.400 -0.079 0.000 2.345 294 D HA 0.574 5.214 4.640 0.001 0.000 0.247 294 D C -0.333 175.912 176.300 -0.092 0.000 1.108 294 D CA 0.582 54.542 54.000 -0.067 0.000 0.894 294 D CB 1.041 41.821 40.800 -0.033 0.000 1.203 294 D HN 0.529 nan 8.370 nan 0.000 0.430 295 L N -1.672 119.495 121.223 -0.093 0.000 2.775 295 L HA 0.612 4.953 4.340 0.001 0.000 0.263 295 L C -1.419 175.400 176.870 -0.085 0.000 1.017 295 L CA -0.846 53.938 54.840 -0.093 0.000 0.891 295 L CB 2.040 44.021 42.059 -0.129 0.000 1.482 295 L HN 0.186 nan 8.230 nan 0.000 0.410 296 T N 3.182 117.694 114.554 -0.071 0.000 2.771 296 T HA 0.719 5.069 4.350 0.001 0.000 0.281 296 T C -1.018 173.635 174.700 -0.079 0.000 0.982 296 T CA -0.250 61.803 62.100 -0.078 0.000 0.978 296 T CB 1.297 70.135 68.868 -0.050 0.000 0.930 296 T HN 0.533 nan 8.240 nan 0.000 0.447 297 L N 3.277 124.425 121.223 -0.126 0.000 2.439 297 L HA 0.676 5.016 4.340 0.001 0.000 0.270 297 L C 0.304 177.101 176.870 -0.120 0.000 0.972 297 L CA -0.346 54.434 54.840 -0.099 0.000 0.836 297 L CB 0.625 42.635 42.059 -0.081 0.000 1.255 297 L HN 0.923 nan 8.230 nan 0.000 0.404 298 A N 3.889 126.667 122.820 -0.070 0.000 2.791 298 A HA 0.153 4.474 4.320 0.001 0.000 0.292 298 A C 1.641 179.195 177.584 -0.050 0.000 1.487 298 A CA 1.535 53.540 52.037 -0.053 0.000 0.760 298 A CB -2.172 16.794 19.000 -0.057 0.000 1.031 298 A HN 2.597 nan 8.150 nan 0.000 0.503 299 G N -2.692 106.079 108.800 -0.048 0.000 2.212 299 G HA2 -0.267 3.693 3.960 0.001 0.000 0.266 299 G HA3 -0.267 3.693 3.960 0.001 0.000 0.266 299 G C 0.042 174.917 174.900 -0.041 0.000 0.978 299 G CA 1.018 46.100 45.100 -0.030 0.000 0.632 299 G HN 1.528 nan 8.290 nan 0.000 0.537 300 Q N 0.611 120.344 119.800 -0.112 0.000 2.222 300 Q HA 0.521 4.862 4.340 0.001 0.000 0.252 300 Q C -0.395 175.483 176.000 -0.202 0.000 0.926 300 Q CA -0.470 55.236 55.803 -0.162 0.000 0.899 300 Q CB 1.271 29.744 28.738 -0.442 0.000 1.250 300 Q HN 0.391 nan 8.270 nan 0.000 0.441 301 E N 2.131 122.282 120.200 -0.080 0.000 2.044 301 E HA 0.292 4.643 4.350 0.001 0.000 0.282 301 E C -0.060 176.521 176.600 -0.033 0.000 1.031 301 E CA -0.388 55.989 56.400 -0.037 0.000 0.824 301 E CB 0.624 30.354 29.700 0.050 0.000 1.076 301 E HN 0.359 nan 8.360 nan 0.000 0.395 302 I N 2.421 122.904 120.570 -0.146 0.000 2.396 302 I HA 0.226 4.397 4.170 0.001 0.000 0.292 302 I C 0.806 176.944 176.117 0.034 0.000 0.999 302 I CA -0.463 60.778 61.300 -0.099 0.000 1.310 302 I CB 0.594 38.460 38.000 -0.222 0.000 1.404 302 I HN 0.082 nan 8.210 nan 0.000 0.496 303 K N 4.279 124.762 120.400 0.138 0.000 2.203 303 K HA 0.292 4.613 4.320 0.001 0.000 0.251 303 K C -0.172 176.462 176.600 0.057 0.000 0.944 303 K CA -1.059 55.277 56.287 0.082 0.000 0.829 303 K CB 2.307 34.867 32.500 0.101 0.000 1.125 303 K HN 0.436 nan 8.250 nan 0.000 0.430 304 K N 0.432 120.839 120.400 0.013 0.000 2.511 304 K HA -0.148 4.173 4.320 0.001 0.000 0.277 304 K C 0.714 177.332 176.600 0.029 0.000 1.025 304 K CA 1.631 57.917 56.287 -0.001 0.000 1.112 304 K CB -0.195 32.299 32.500 -0.011 0.000 0.859 304 K HN 0.820 nan 8.250 nan 0.000 0.485 305 G N 2.962 111.784 108.800 0.037 0.000 2.217 305 G HA2 -0.218 3.743 3.960 0.001 0.000 0.246 305 G HA3 -0.218 3.743 3.960 0.001 0.000 0.246 305 G C -0.359 174.595 174.900 0.089 0.000 0.990 305 G CA 0.157 45.289 45.100 0.053 0.000 0.627 305 G HN 0.744 nan 8.290 nan 0.000 0.522 306 D N 0.841 121.324 120.400 0.139 0.000 2.423 306 D HA 0.463 5.104 4.640 0.001 0.000 0.238 306 D C 0.544 176.998 176.300 0.255 0.000 1.142 306 D CA 0.952 55.085 54.000 0.221 0.000 0.884 306 D CB 1.487 42.535 40.800 0.412 0.000 1.199 306 D HN 0.273 nan 8.370 nan 0.000 0.438 307 S N 0.839 116.686 115.700 0.245 0.000 2.489 307 S HA 0.515 4.986 4.470 0.001 0.000 0.291 307 S C -0.789 174.025 174.600 0.356 0.000 1.151 307 S CA -0.718 57.652 58.200 0.283 0.000 1.082 307 S CB 0.656 64.046 63.200 0.316 0.000 1.019 307 S HN 0.144 nan 8.310 nan 0.000 0.492 308 V N 6.304 126.369 119.914 0.252 0.000 2.444 308 V HA 0.505 4.625 4.120 0.001 0.000 0.294 308 V C -0.504 175.597 176.094 0.012 0.000 1.022 308 V CA -0.625 61.776 62.300 0.168 0.000 0.850 308 V CB 1.445 33.299 31.823 0.052 0.000 0.992 308 V HN 0.869 nan 8.190 nan 0.000 0.426 309 I N 4.098 124.636 120.570 -0.054 0.000 2.339 309 I HA 0.380 4.551 4.170 0.001 0.000 0.290 309 I C -0.196 175.828 176.117 -0.154 0.000 0.994 309 I CA -0.053 61.132 61.300 -0.193 0.000 1.191 309 I CB 1.224 38.966 38.000 -0.430 0.000 1.343 309 I HN 0.545 nan 8.210 nan 0.000 0.458 310 C N 4.178 123.402 119.300 -0.125 0.000 2.307 310 C HA 0.332 4.792 4.460 0.001 0.000 0.340 310 C C 0.892 175.850 174.990 -0.053 0.000 1.275 310 C CA -0.608 58.358 59.018 -0.087 0.000 1.811 310 C CB 0.654 28.346 27.740 -0.081 0.000 2.372 310 C HN 0.759 nan 8.230 nan 0.000 0.531 311 S N 3.445 119.131 115.700 -0.022 0.000 2.409 311 S HA 0.297 4.768 4.470 0.001 0.000 0.308 311 S C 1.017 175.628 174.600 0.019 0.000 1.080 311 S CA -0.643 57.574 58.200 0.029 0.000 1.081 311 S CB -0.098 63.132 63.200 0.049 0.000 1.009 311 S HN 0.635 nan 8.310 nan 0.000 0.502 312 L N 5.618 126.853 121.223 0.020 0.000 2.046 312 L HA 0.018 4.359 4.340 0.001 0.000 0.208 312 L C -0.783 176.086 176.870 -0.001 0.000 1.077 312 L CA 0.965 55.811 54.840 0.010 0.000 0.747 312 L CB -1.656 40.404 42.059 0.002 0.000 0.896 312 L HN 0.441 nan 8.230 nan 0.000 0.432 313 P HA -0.154 nan 4.420 nan 0.000 0.216 313 P C 1.521 178.799 177.300 -0.037 0.000 1.153 313 P CA 1.774 64.839 63.100 -0.060 0.000 0.848 313 P CB 0.027 31.673 31.700 -0.090 0.000 0.787 314 A N -0.041 122.773 122.820 -0.011 0.000 1.898 314 A HA -0.055 4.265 4.320 0.001 0.000 0.216 314 A C 2.315 179.910 177.584 0.019 0.000 1.181 314 A CA 1.927 53.962 52.037 -0.002 0.000 0.620 314 A CB -1.596 17.410 19.000 0.009 0.000 0.819 314 A HN 0.176 nan 8.150 nan 0.000 0.442 315 A N 0.308 123.151 122.820 0.037 0.000 1.933 315 A HA -0.167 4.154 4.320 0.001 0.000 0.218 315 A C 1.696 179.355 177.584 0.126 0.000 1.175 315 A CA 1.645 53.735 52.037 0.088 0.000 0.628 315 A CB -0.545 18.498 19.000 0.072 0.000 0.814 315 A HN 0.517 nan 8.150 nan 0.000 0.444 316 N N -0.516 118.232 118.700 0.080 0.000 2.521 316 N HA -0.009 4.731 4.740 0.001 0.000 0.188 316 N C 0.784 176.302 175.510 0.014 0.000 1.146 316 N CA 0.373 53.463 53.050 0.067 0.000 0.893 316 N CB 0.049 38.563 38.487 0.045 0.000 0.975 316 N HN 0.281 nan 8.380 nan 0.000 0.451 317 R N 0.377 120.878 120.500 0.002 0.000 2.509 317 R HA 0.110 4.451 4.340 0.001 0.000 0.300 317 R C -0.217 176.080 176.300 -0.005 0.000 0.985 317 R CA -0.314 55.780 56.100 -0.010 0.000 1.092 317 R CB -0.177 30.105 30.300 -0.030 0.000 1.237 317 R HN 0.167 nan 8.270 nan 0.000 0.546 318 D N 2.280 122.681 120.400 0.001 0.000 2.531 318 D HA -0.039 4.601 4.640 0.001 0.000 0.239 318 D C -1.520 174.766 176.300 -0.022 0.000 1.144 318 D CA -1.104 52.895 54.000 -0.000 0.000 0.869 318 D CB 1.578 42.388 40.800 0.018 0.000 1.160 318 D HN -0.053 nan 8.370 nan 0.000 0.484 319 P HA -0.106 nan 4.420 nan 0.000 0.219 319 P C 0.801 178.088 177.300 -0.021 0.000 1.146 319 P CA 1.172 64.266 63.100 -0.011 0.000 0.808 319 P CB 0.180 31.878 31.700 -0.003 0.000 0.779 320 A N -1.034 121.770 122.820 -0.026 0.000 2.119 320 A HA -0.080 4.240 4.320 0.001 0.000 0.217 320 A C 2.033 179.581 177.584 -0.060 0.000 1.153 320 A CA 0.895 52.913 52.037 -0.032 0.000 0.692 320 A CB -1.421 17.565 19.000 -0.022 0.000 0.799 320 A HN 0.142 nan 8.150 nan 0.000 0.458 321 L N -1.421 119.747 121.223 -0.092 0.000 2.093 321 L HA 0.118 4.458 4.340 0.001 0.000 0.208 321 L C 1.092 177.921 176.870 -0.068 0.000 1.085 321 L CA 0.945 55.711 54.840 -0.124 0.000 0.755 321 L CB -0.386 41.568 42.059 -0.176 0.000 0.904 321 L HN 0.482 nan 8.230 nan 0.000 0.435 322 A N -2.341 120.454 122.820 -0.042 0.000 2.590 322 A HA 0.452 4.773 4.320 0.001 0.000 0.294 322 A C -2.325 175.251 177.584 -0.014 0.000 1.046 322 A CA -0.771 51.251 52.037 -0.025 0.000 0.684 322 A CB 0.220 19.207 19.000 -0.020 0.000 1.279 322 A HN -0.185 nan 8.150 nan 0.000 0.415 323 P HA -0.042 nan 4.420 nan 0.000 0.220 323 P C 0.173 177.474 177.300 0.002 0.000 1.148 323 P CA 1.857 64.955 63.100 -0.004 0.000 0.803 323 P CB 0.084 31.782 31.700 -0.004 0.000 0.782 324 D N -1.512 118.889 120.400 0.001 0.000 2.772 324 D HA 0.024 4.665 4.640 0.001 0.000 0.272 324 D C 1.132 177.443 176.300 0.018 0.000 1.314 324 D CA -0.617 53.389 54.000 0.009 0.000 0.835 324 D CB -0.718 40.082 40.800 0.000 0.000 1.080 324 D HN -0.081 nan 8.370 nan 0.000 0.482 325 V N 1.442 121.368 119.914 0.019 0.000 2.720 325 V HA -0.198 3.923 4.120 0.001 0.000 0.256 325 V C 1.274 177.414 176.094 0.076 0.000 1.082 325 V CA 2.291 64.610 62.300 0.031 0.000 1.101 325 V CB -0.279 31.548 31.823 0.007 0.000 0.693 325 V HN 0.361 nan 8.190 nan 0.000 0.479 326 D N -0.668 119.777 120.400 0.076 0.000 2.349 326 D HA -0.040 4.600 4.640 0.001 0.000 0.224 326 D C 0.848 177.282 176.300 0.225 0.000 1.029 326 D CA -0.023 54.050 54.000 0.122 0.000 0.879 326 D CB -0.009 40.836 40.800 0.075 0.000 0.906 326 D HN 0.459 nan 8.370 nan 0.000 0.528 327 R N 0.047 120.633 120.500 0.144 0.000 2.787 327 R HA 0.515 4.856 4.340 0.001 0.000 0.271 327 R C -0.676 175.509 176.300 -0.192 0.000 0.993 327 R CA -1.141 54.989 56.100 0.050 0.000 0.993 327 R CB 1.855 32.154 30.300 -0.002 0.000 1.155 327 R HN -0.012 nan 8.270 nan 0.000 0.486 328 L N 1.668 122.505 121.223 -0.645 0.000 2.281 328 L HA 0.267 4.608 4.340 0.001 0.000 0.285 328 L C -0.936 175.650 176.870 -0.472 0.000 1.074 328 L CA 0.348 54.635 54.840 -0.922 0.000 0.817 328 L CB 0.772 41.966 42.059 -1.442 0.000 1.168 328 L HN 0.519 nan 8.230 nan 0.000 0.434 329 D N 3.355 123.573 120.400 -0.304 0.000 2.336 329 D HA 0.120 4.760 4.640 0.001 0.000 0.248 329 D C 0.679 176.876 176.300 -0.171 0.000 1.326 329 D CA -0.253 53.628 54.000 -0.199 0.000 0.973 329 D CB 1.401 42.127 40.800 -0.123 0.000 1.255 329 D HN 0.355 nan 8.370 nan 0.000 0.558 330 V N 1.961 121.759 119.914 -0.193 0.000 3.241 330 V HA 0.010 4.130 4.120 0.001 0.000 0.269 330 V C 1.271 177.281 176.094 -0.139 0.000 1.151 330 V CA 1.892 64.086 62.300 -0.176 0.000 1.158 330 V CB -1.091 30.587 31.823 -0.242 0.000 0.764 330 V HN 0.639 nan 8.190 nan 0.000 0.508 331 T N -1.219 113.265 114.554 -0.117 0.000 3.129 331 T HA 0.291 4.642 4.350 0.001 0.000 0.267 331 T C 0.798 175.461 174.700 -0.063 0.000 1.018 331 T CA -0.336 61.711 62.100 -0.089 0.000 0.903 331 T CB -0.249 68.569 68.868 -0.084 0.000 1.067 331 T HN 0.830 nan 8.240 nan 0.000 0.549 332 R N 0.843 121.307 120.500 -0.060 0.000 2.801 332 R HA 0.318 4.659 4.340 0.001 0.000 0.273 332 R C -0.509 175.776 176.300 -0.025 0.000 1.080 332 R CA -0.664 55.411 56.100 -0.041 0.000 1.197 332 R CB 0.176 30.453 30.300 -0.039 0.000 1.109 332 R HN 0.020 nan 8.270 nan 0.000 0.535 333 E N 1.706 121.896 120.200 -0.017 0.000 2.351 333 E HA 0.102 4.453 4.350 0.001 0.000 0.266 333 E C -1.973 174.628 176.600 0.002 0.000 1.031 333 E CA -1.694 54.702 56.400 -0.007 0.000 0.911 333 E CB 0.357 30.053 29.700 -0.007 0.000 0.986 333 E HN 0.460 nan 8.360 nan 0.000 0.446 334 P HA -0.025 nan 4.420 nan 0.000 0.263 334 P C -0.307 177.016 177.300 0.037 0.000 1.175 334 P CA 0.590 63.711 63.100 0.035 0.000 0.761 334 P CB 0.369 32.097 31.700 0.046 0.000 0.794 335 I N 5.756 126.360 120.570 0.056 0.000 2.355 335 I HA 0.258 4.429 4.170 0.001 0.000 0.288 335 I C -2.017 174.151 176.117 0.085 0.000 0.999 335 I CA -2.503 58.823 61.300 0.043 0.000 1.163 335 I CB 1.549 39.565 38.000 0.026 0.000 1.316 335 I HN 0.169 nan 8.210 nan 0.000 0.454 336 P HA 0.076 nan 4.420 nan 0.000 0.267 336 P C -1.160 176.208 177.300 0.113 0.000 1.209 336 P CA 0.253 63.383 63.100 0.050 0.000 0.763 336 P CB 0.191 31.921 31.700 0.050 0.000 0.816 337 H N -0.517 118.639 119.070 0.143 0.000 2.797 337 H HA 0.589 5.146 4.556 0.001 0.000 0.362 337 H C 0.170 175.591 175.328 0.154 0.000 1.183 337 H CA -1.139 54.992 56.048 0.139 0.000 1.197 337 H CB 0.868 30.670 29.762 0.067 0.000 1.835 337 H HN 0.071 nan 8.280 nan 0.000 0.567 338 V N -2.035 118.060 119.914 0.301 0.000 3.121 338 V HA 0.516 4.637 4.120 0.001 0.000 0.344 338 V C 1.577 177.802 176.094 0.218 0.000 1.390 338 V CA 0.270 62.689 62.300 0.198 0.000 1.177 338 V CB -0.488 31.375 31.823 0.065 0.000 1.163 338 V HN 0.932 nan 8.190 nan 0.000 0.484 339 A N 0.307 123.340 122.820 0.354 0.000 2.019 339 A HA 0.110 4.430 4.320 0.001 0.000 0.219 339 A C 1.613 179.154 177.584 -0.072 0.000 1.164 339 A CA 1.576 53.610 52.037 -0.005 0.000 0.644 339 A CB -0.706 18.083 19.000 -0.352 0.000 0.805 339 A HN 0.635 nan 8.150 nan 0.000 0.449 340 F N -0.477 119.562 119.950 0.148 0.000 2.645 340 F HA 0.401 4.928 4.527 0.001 0.000 0.300 340 F C 1.553 177.225 175.800 -0.213 0.000 1.115 340 F CA 0.312 58.248 58.000 -0.107 0.000 1.355 340 F CB 0.154 38.984 39.000 -0.283 0.000 1.026 340 F HN 0.479 nan 8.300 nan 0.000 0.536 341 G N 0.628 109.501 108.800 0.121 0.000 2.568 341 G HA2 -0.181 3.780 3.960 0.001 0.000 0.222 341 G HA3 -0.181 3.780 3.960 0.001 0.000 0.222 341 G C -1.383 173.697 174.900 0.301 0.000 1.321 341 G CA -0.419 44.766 45.100 0.141 0.000 0.893 341 G HN 0.551 nan 8.290 nan 0.000 0.569 342 H N -0.894 118.284 119.070 0.179 0.000 3.139 342 H HA 0.676 5.232 4.556 0.001 0.000 0.325 342 H C 0.358 175.784 175.328 0.164 0.000 1.146 342 H CA 1.883 58.048 56.048 0.195 0.000 1.351 342 H CB 1.070 30.881 29.762 0.081 0.000 2.005 342 H HN 2.727 nan 8.280 nan 0.000 0.517 343 G N 1.055 109.613 108.800 -0.404 0.000 2.500 343 G HA2 -0.109 3.851 3.960 0.001 0.000 0.209 343 G HA3 -0.109 3.851 3.960 0.001 0.000 0.209 343 G C 0.966 175.833 174.900 -0.053 0.000 1.283 343 G CA 0.176 45.123 45.100 -0.255 0.000 0.960 343 G HN 1.510 nan 8.290 nan 0.000 0.528 344 V N -2.723 117.166 119.914 -0.042 0.000 2.759 344 V HA 0.021 4.141 4.120 0.001 0.000 0.256 344 V C 1.868 177.915 176.094 -0.077 0.000 1.080 344 V CA 2.526 64.772 62.300 -0.090 0.000 1.101 344 V CB -0.699 30.992 31.823 -0.219 0.000 0.698 344 V HN 0.738 nan 8.190 nan 0.000 0.477 345 H N -0.678 118.387 119.070 -0.009 0.000 2.539 345 H HA 0.171 4.727 4.556 0.001 0.000 0.267 345 H C 0.794 176.168 175.328 0.078 0.000 0.982 345 H CA 0.291 56.345 56.048 0.010 0.000 1.146 345 H CB -0.375 29.347 29.762 -0.067 0.000 1.382 345 H HN 0.606 nan 8.280 nan 0.000 0.577 346 H N 1.280 120.405 119.070 0.092 0.000 3.173 346 H HA -0.129 4.428 4.556 0.001 0.000 0.311 346 H C 0.139 175.493 175.328 0.043 0.000 0.972 346 H CA 0.268 56.365 56.048 0.082 0.000 1.384 346 H CB 0.449 30.233 29.762 0.037 0.000 1.349 346 H HN 0.282 nan 8.280 nan 0.000 0.582 347 C N 6.839 125.989 119.300 -0.250 0.000 2.106 347 C HA -0.148 4.313 4.460 0.001 0.000 0.402 347 C C 2.127 177.017 174.990 -0.165 0.000 1.548 347 C CA -0.138 58.782 59.018 -0.163 0.000 1.432 347 C CB -1.785 25.862 27.740 -0.154 0.000 2.584 347 C HN 0.834 nan 8.230 nan 0.000 0.604 348 L N 6.064 127.164 121.223 -0.204 0.000 2.275 348 L HA 0.195 4.535 4.340 0.001 0.000 0.215 348 L C 2.149 178.759 176.870 -0.432 0.000 1.119 348 L CA 2.306 56.922 54.840 -0.374 0.000 0.790 348 L CB -0.539 41.147 42.059 -0.622 0.000 0.919 348 L HN 0.884 nan 8.230 nan 0.000 0.443 349 G N -2.107 106.515 108.800 -0.296 0.000 3.284 349 G HA2 0.213 4.174 3.960 0.001 0.000 0.236 349 G HA3 0.213 4.174 3.960 0.001 0.000 0.236 349 G C 1.454 176.282 174.900 -0.121 0.000 1.158 349 G CA 0.416 45.470 45.100 -0.076 0.000 0.774 349 G HN 0.504 nan 8.290 nan 0.000 0.545 350 A N 1.381 123.987 122.820 -0.357 0.000 1.892 350 A HA 0.105 4.425 4.320 0.001 0.000 0.218 350 A C 2.778 180.159 177.584 -0.338 0.000 1.188 350 A CA 2.337 53.897 52.037 -0.796 0.000 0.631 350 A CB -0.736 17.662 19.000 -1.003 0.000 0.822 350 A HN 0.740 nan 8.150 nan 0.000 0.447 351 A N -0.720 122.023 122.820 -0.127 0.000 1.902 351 A HA -0.028 4.293 4.320 0.001 0.000 0.217 351 A C 2.155 179.764 177.584 0.042 0.000 1.181 351 A CA 1.789 53.821 52.037 -0.008 0.000 0.623 351 A CB -0.625 18.393 19.000 0.029 0.000 0.818 351 A HN 0.805 nan 8.150 nan 0.000 0.443 352 L N -0.257 121.008 121.223 0.070 0.000 2.046 352 L HA -0.021 4.319 4.340 0.001 0.000 0.208 352 L C 2.610 179.535 176.870 0.093 0.000 1.077 352 L CA 2.164 57.058 54.840 0.090 0.000 0.747 352 L CB -0.859 41.279 42.059 0.132 0.000 0.896 352 L HN 0.333 nan 8.230 nan 0.000 0.432 353 A N -0.143 122.739 122.820 0.104 0.000 1.877 353 A HA -0.224 4.097 4.320 0.001 0.000 0.216 353 A C 2.413 180.114 177.584 0.194 0.000 1.186 353 A CA 1.888 54.029 52.037 0.174 0.000 0.620 353 A CB -0.574 18.609 19.000 0.304 0.000 0.822 353 A HN 0.518 nan 8.150 nan 0.000 0.443 354 R N -1.167 119.459 120.500 0.209 0.000 2.091 354 R HA -0.136 4.204 4.340 0.001 0.000 0.238 354 R C 2.146 178.540 176.300 0.157 0.000 1.136 354 R CA 1.472 57.707 56.100 0.225 0.000 0.959 354 R CB -0.676 29.755 30.300 0.218 0.000 0.856 354 R HN 0.494 nan 8.270 nan 0.000 0.437 355 L N 1.552 122.843 121.223 0.113 0.000 2.017 355 L HA -0.180 4.161 4.340 0.001 0.000 0.208 355 L C 2.243 179.147 176.870 0.057 0.000 1.073 355 L CA 1.906 56.797 54.840 0.086 0.000 0.745 355 L CB -0.626 41.474 42.059 0.069 0.000 0.894 355 L HN 0.174 nan 8.230 nan 0.000 0.432 356 E N -0.615 119.612 120.200 0.045 0.000 2.051 356 E HA -0.237 4.113 4.350 0.001 0.000 0.192 356 E C 2.244 178.794 176.600 -0.083 0.000 0.991 356 E CA 1.729 58.128 56.400 -0.002 0.000 0.799 356 E CB -0.256 29.454 29.700 0.017 0.000 0.748 356 E HN 0.597 nan 8.360 nan 0.000 0.449 357 L N 0.295 121.471 121.223 -0.078 0.000 2.046 357 L HA -0.155 4.186 4.340 0.001 0.000 0.208 357 L C 2.952 179.671 176.870 -0.253 0.000 1.077 357 L CA 1.388 56.066 54.840 -0.270 0.000 0.747 357 L CB -0.430 41.611 42.059 -0.030 0.000 0.896 357 L HN 0.156 nan 8.230 nan 0.000 0.432 358 R N -0.283 120.246 120.500 0.047 0.000 2.081 358 R HA -0.154 4.186 4.340 0.001 0.000 0.235 358 R C 2.197 178.541 176.300 0.075 0.000 1.131 358 R CA 1.980 58.190 56.100 0.184 0.000 0.960 358 R CB -0.242 30.194 30.300 0.227 0.000 0.856 358 R HN 0.234 nan 8.270 nan 0.000 0.436 359 T N 0.299 114.853 114.554 0.000 0.000 2.746 359 T HA -0.096 4.254 4.350 0.001 0.000 0.267 359 T C 1.824 176.473 174.700 -0.085 0.000 1.039 359 T CA 1.409 63.499 62.100 -0.017 0.000 1.142 359 T CB -0.153 68.706 68.868 -0.015 0.000 0.866 359 T HN 0.033 nan 8.240 nan 0.000 0.444 360 V N 0.857 120.645 119.914 -0.210 0.000 2.261 360 V HA -0.150 3.970 4.120 0.001 0.000 0.246 360 V C 2.101 178.042 176.094 -0.255 0.000 1.047 360 V CA 1.787 63.912 62.300 -0.291 0.000 1.015 360 V CB -0.775 30.755 31.823 -0.487 0.000 0.642 360 V HN 0.511 nan 8.190 nan 0.000 0.446 361 F N 0.010 119.857 119.950 -0.172 0.000 2.146 361 F HA -0.167 4.361 4.527 0.001 0.000 0.298 361 F C 2.654 178.366 175.800 -0.146 0.000 1.096 361 F CA 1.438 59.239 58.000 -0.331 0.000 1.275 361 F CB -0.778 37.615 39.000 -1.011 0.000 1.008 361 F HN 0.095 nan 8.300 nan 0.000 0.480 362 T N -0.557 114.070 114.554 0.122 0.000 2.708 362 T HA -0.147 4.203 4.350 0.001 0.000 0.266 362 T C 1.737 176.518 174.700 0.135 0.000 1.037 362 T CA 1.311 63.547 62.100 0.227 0.000 1.146 362 T CB -0.203 68.796 68.868 0.218 0.000 0.865 362 T HN 0.157 nan 8.240 nan 0.000 0.435 363 E N 0.820 121.043 120.200 0.038 0.000 2.208 363 E HA 0.007 4.358 4.350 0.001 0.000 0.193 363 E C 2.176 178.732 176.600 -0.074 0.000 0.988 363 E CA 0.348 56.733 56.400 -0.025 0.000 0.828 363 E CB -0.417 29.248 29.700 -0.058 0.000 0.763 363 E HN 0.310 nan 8.360 nan 0.000 0.478 364 L N 0.085 121.261 121.223 -0.077 0.000 1.994 364 L HA -0.101 4.240 4.340 0.001 0.000 0.208 364 L C 1.961 178.712 176.870 -0.198 0.000 1.071 364 L CA 1.673 56.407 54.840 -0.177 0.000 0.745 364 L CB -0.586 41.273 42.059 -0.333 0.000 0.892 364 L HN 0.170 nan 8.230 nan 0.000 0.431 365 W N -0.263 121.063 121.300 0.044 0.000 2.800 365 W HA -0.025 4.636 4.660 0.001 0.000 0.249 365 W C 2.631 179.161 176.519 0.018 0.000 1.294 365 W CA 0.791 58.174 57.345 0.064 0.000 1.402 365 W CB -0.224 29.297 29.460 0.102 0.000 1.126 365 W HN 0.287 nan 8.180 nan 0.000 0.652 366 R N 1.088 121.655 120.500 0.112 0.000 2.075 366 R HA -0.100 4.240 4.340 0.001 0.000 0.226 366 R C 2.239 178.472 176.300 -0.113 0.000 1.114 366 R CA 1.480 57.597 56.100 0.028 0.000 0.972 366 R CB -0.462 29.843 30.300 0.009 0.000 0.869 366 R HN -0.150 nan 8.270 nan 0.000 0.437 367 R N -0.935 119.395 120.500 -0.283 0.000 2.075 367 R HA 0.093 4.433 4.340 0.001 0.000 0.226 367 R C -0.132 175.660 176.300 -0.848 0.000 1.114 367 R CA 1.253 56.967 56.100 -0.642 0.000 0.972 367 R CB 0.116 29.833 30.300 -0.971 0.000 0.869 367 R HN 0.213 nan 8.270 nan 0.000 0.437 368 F N 0.800 120.623 119.950 -0.213 0.000 2.471 368 F HA 0.389 4.917 4.527 0.001 0.000 0.318 368 F C -1.676 174.119 175.800 -0.009 0.000 1.308 368 F CA -2.370 55.507 58.000 -0.205 0.000 1.162 368 F CB 1.755 40.494 39.000 -0.436 0.000 1.383 368 F HN 0.012 nan 8.300 nan 0.000 0.552 369 P HA -0.198 nan 4.420 nan 0.000 0.218 369 P C 1.122 178.616 177.300 0.324 0.000 1.146 369 P CA 1.137 64.404 63.100 0.279 0.000 0.813 369 P CB 0.276 32.081 31.700 0.174 0.000 0.778 370 A N -1.347 121.646 122.820 0.287 0.000 2.507 370 A HA 0.232 4.553 4.320 0.001 0.000 0.270 370 A C 0.507 178.259 177.584 0.280 0.000 1.318 370 A CA -0.497 51.697 52.037 0.260 0.000 0.924 370 A CB -1.052 18.073 19.000 0.207 0.000 1.061 370 A HN 0.108 nan 8.150 nan 0.000 0.516 371 L N 1.722 123.128 121.223 0.305 0.000 2.559 371 L HA 0.226 4.567 4.340 0.001 0.000 0.282 371 L C 0.647 177.658 176.870 0.235 0.000 1.232 371 L CA 1.031 56.004 54.840 0.222 0.000 0.885 371 L CB 0.176 42.251 42.059 0.027 0.000 1.131 371 L HN 0.655 nan 8.230 nan 0.000 0.498 372 R N 3.403 124.002 120.500 0.165 0.000 2.733 372 R HA 0.541 4.882 4.340 0.001 0.000 0.272 372 R C -1.536 174.815 176.300 0.084 0.000 1.029 372 R CA -1.191 54.988 56.100 0.132 0.000 0.888 372 R CB 0.557 30.919 30.300 0.103 0.000 1.251 372 R HN 0.452 nan 8.270 nan 0.000 0.464 373 L N 1.798 123.059 121.223 0.062 0.000 2.410 373 L HA 0.188 4.529 4.340 0.001 0.000 0.273 373 L C 1.618 178.494 176.870 0.010 0.000 1.152 373 L CA 0.145 55.004 54.840 0.031 0.000 0.855 373 L CB 1.213 43.285 42.059 0.021 0.000 1.129 373 L HN 1.026 nan 8.230 nan 0.000 0.463 374 A N 2.468 125.284 122.820 -0.007 0.000 1.940 374 A HA -0.158 4.163 4.320 0.001 0.000 0.219 374 A C 0.800 178.367 177.584 -0.029 0.000 1.176 374 A CA 1.534 53.551 52.037 -0.033 0.000 0.631 374 A CB -0.199 18.770 19.000 -0.050 0.000 0.814 374 A HN 0.780 nan 8.150 nan 0.000 0.446 375 D N -2.424 117.963 120.400 -0.021 0.000 2.346 375 D HA 0.402 5.043 4.640 0.001 0.000 0.255 375 D C -2.280 174.011 176.300 -0.014 0.000 1.276 375 D CA -1.890 52.098 54.000 -0.020 0.000 0.941 375 D CB 1.224 42.010 40.800 -0.023 0.000 1.199 375 D HN -0.070 nan 8.370 nan 0.000 0.537 376 P HA -0.051 nan 4.420 nan 0.000 0.221 376 P C 0.916 178.213 177.300 -0.006 0.000 1.145 376 P CA 0.786 63.884 63.100 -0.003 0.000 0.795 376 P CB 0.381 32.082 31.700 0.001 0.000 0.775 377 A N -1.277 121.538 122.820 -0.008 0.000 2.021 377 A HA -0.068 4.253 4.320 0.001 0.000 0.216 377 A C 1.458 179.037 177.584 -0.008 0.000 1.163 377 A CA 0.191 52.225 52.037 -0.006 0.000 0.676 377 A CB -0.843 18.154 19.000 -0.006 0.000 0.818 377 A HN 0.157 nan 8.150 nan 0.000 0.453 378 Q N 1.043 120.834 119.800 -0.016 0.000 2.386 378 Q HA 0.013 4.354 4.340 0.001 0.000 0.282 378 Q C -0.900 175.083 176.000 -0.028 0.000 1.050 378 Q CA -0.043 55.747 55.803 -0.022 0.000 0.918 378 Q CB 0.348 29.068 28.738 -0.030 0.000 1.266 378 Q HN 0.423 nan 8.270 nan 0.000 0.423 379 D N 1.797 122.180 120.400 -0.028 0.000 2.339 379 D HA 0.083 4.724 4.640 0.001 0.000 0.245 379 D C -0.588 175.659 176.300 -0.089 0.000 1.115 379 D CA 0.234 54.216 54.000 -0.031 0.000 0.917 379 D CB 0.947 41.743 40.800 -0.005 0.000 1.192 379 D HN 0.417 nan 8.370 nan 0.000 0.428 380 T N 2.303 116.768 114.554 -0.148 0.000 2.851 380 T HA 0.103 4.453 4.350 0.001 0.000 0.298 380 T C 0.297 174.742 174.700 -0.425 0.000 0.977 380 T CA -0.467 61.411 62.100 -0.370 0.000 1.126 380 T CB 0.638 69.134 68.868 -0.621 0.000 0.916 380 T HN 0.117 nan 8.240 nan 0.000 0.529 381 E N 3.610 123.577 120.200 -0.388 0.000 1.986 381 E HA 0.209 4.560 4.350 0.001 0.000 0.264 381 E C -0.470 175.970 176.600 -0.267 0.000 1.023 381 E CA -0.177 56.084 56.400 -0.232 0.000 0.834 381 E CB 0.225 29.844 29.700 -0.134 0.000 1.111 381 E HN 0.527 nan 8.360 nan 0.000 0.417 382 F N 1.122 121.048 119.950 -0.039 0.000 2.418 382 F HA 0.192 4.720 4.527 0.001 0.000 0.341 382 F C 1.545 177.316 175.800 -0.048 0.000 1.120 382 F CA -0.478 57.464 58.000 -0.098 0.000 1.232 382 F CB 0.904 39.872 39.000 -0.053 0.000 1.175 382 F HN 0.092 nan 8.300 nan 0.000 0.569 383 R N 3.727 124.308 120.500 0.134 0.000 2.235 383 R HA 0.325 4.665 4.340 0.001 0.000 0.338 383 R C -0.343 176.076 176.300 0.198 0.000 1.087 383 R CA -0.161 56.005 56.100 0.109 0.000 0.948 383 R CB 0.015 30.348 30.300 0.054 0.000 1.099 383 R HN 0.839 nan 8.270 nan 0.000 0.483 384 L N 3.066 124.401 121.223 0.187 0.000 2.640 384 L HA 0.124 4.465 4.340 0.001 0.000 0.230 384 L C 1.610 178.554 176.870 0.124 0.000 1.123 384 L CA 0.117 55.079 54.840 0.204 0.000 0.900 384 L CB 0.533 42.681 42.059 0.148 0.000 1.146 384 L HN 0.633 nan 8.230 nan 0.000 0.484 385 T N -4.439 110.175 114.554 0.099 0.000 3.060 385 T HA 0.078 4.429 4.350 0.001 0.000 0.249 385 T C 0.904 175.645 174.700 0.069 0.000 1.079 385 T CA 0.228 62.362 62.100 0.057 0.000 1.013 385 T CB -0.332 68.554 68.868 0.030 0.000 0.975 385 T HN 0.261 nan 8.240 nan 0.000 0.518 386 T N -0.676 113.951 114.554 0.122 0.000 2.948 386 T HA 0.523 4.874 4.350 0.001 0.000 0.285 386 T C -2.225 172.606 174.700 0.219 0.000 1.019 386 T CA -1.838 60.338 62.100 0.126 0.000 1.013 386 T CB 1.242 70.172 68.868 0.103 0.000 1.117 386 T HN -0.254 nan 8.240 nan 0.000 0.533 387 P HA 0.266 nan 4.420 nan 0.000 0.234 387 P C -0.255 177.174 177.300 0.214 0.000 1.167 387 P CA 0.395 63.634 63.100 0.231 0.000 0.763 387 P CB 0.042 31.823 31.700 0.134 0.000 0.835 388 A N -1.277 121.619 122.820 0.126 0.000 2.371 388 A HA 0.450 4.771 4.320 0.001 0.000 0.311 388 A C -1.038 176.550 177.584 0.005 0.000 1.068 388 A CA -0.601 51.402 52.037 -0.056 0.000 0.744 388 A CB 0.554 19.549 19.000 -0.009 0.000 1.239 388 A HN -0.115 nan 8.150 nan 0.000 0.435 389 Y N 1.373 121.455 120.300 -0.363 0.000 2.511 389 Y HA 0.430 4.981 4.550 0.001 0.000 0.347 389 Y C 0.919 176.812 175.900 -0.012 0.000 1.257 389 Y CA 1.062 59.070 58.100 -0.153 0.000 1.469 389 Y CB 0.728 39.034 38.460 -0.257 0.000 1.353 389 Y HN 1.187 nan 8.280 nan 0.000 0.617 390 G N 2.493 111.176 108.800 -0.196 0.000 2.341 390 G HA2 0.377 4.338 3.960 0.001 0.000 0.299 390 G HA3 0.377 4.338 3.960 0.001 0.000 0.299 390 G C -2.236 172.591 174.900 -0.122 0.000 1.274 390 G CA -0.986 44.039 45.100 -0.125 0.000 0.853 390 G HN 0.650 nan 8.290 nan 0.000 0.493 391 L N 0.392 121.574 121.223 -0.069 0.000 2.330 391 L HA 0.534 4.874 4.340 0.001 0.000 0.271 391 L C 1.678 178.514 176.870 -0.057 0.000 1.013 391 L CA -0.312 54.471 54.840 -0.095 0.000 0.816 391 L CB 2.362 44.350 42.059 -0.118 0.000 1.287 391 L HN 0.888 nan 8.230 nan 0.000 0.435 392 T N -3.058 111.459 114.554 -0.063 0.000 3.037 392 T HA 0.122 4.473 4.350 0.001 0.000 0.252 392 T C 0.317 174.988 174.700 -0.049 0.000 1.073 392 T CA 0.055 62.130 62.100 -0.041 0.000 1.091 392 T CB 0.424 69.276 68.868 -0.026 0.000 0.935 392 T HN 0.633 nan 8.240 nan 0.000 0.488 393 E N -0.306 119.854 120.200 -0.066 0.000 2.392 393 E HA 0.519 4.869 4.350 0.001 0.000 0.279 393 E C -2.394 174.167 176.600 -0.065 0.000 0.964 393 E CA -1.010 55.359 56.400 -0.052 0.000 0.777 393 E CB 2.251 31.923 29.700 -0.047 0.000 1.249 393 E HN 0.145 nan 8.360 nan 0.000 0.449 394 L N 4.249 125.451 121.223 -0.035 0.000 2.568 394 L HA 0.373 4.714 4.340 0.001 0.000 0.262 394 L C -1.568 175.299 176.870 -0.005 0.000 0.980 394 L CA -0.393 54.425 54.840 -0.036 0.000 0.882 394 L CB 1.447 43.488 42.059 -0.029 0.000 1.198 394 L HN 0.602 nan 8.230 nan 0.000 0.425 395 M N 5.439 125.033 119.600 -0.010 0.000 2.146 395 M HA 0.470 4.950 4.480 0.001 0.000 0.352 395 M C -0.094 176.210 176.300 0.007 0.000 1.343 395 M CA -0.213 55.091 55.300 0.006 0.000 1.115 395 M CB 0.914 33.508 32.600 -0.009 0.000 1.657 395 M HN 0.401 nan 8.290 nan 0.000 0.471 396 V N 0.842 120.774 119.914 0.030 0.000 2.960 396 V HA 1.074 5.195 4.120 0.001 0.000 0.315 396 V C -0.419 175.705 176.094 0.051 0.000 1.087 396 V CA -1.000 61.326 62.300 0.044 0.000 0.982 396 V CB 1.643 33.488 31.823 0.037 0.000 1.039 396 V HN 0.930 nan 8.190 nan 0.000 0.437 397 A N 2.267 125.115 122.820 0.047 0.000 2.430 397 A HA 1.095 5.415 4.320 0.001 0.000 0.300 397 A C -1.064 176.592 177.584 0.121 0.000 1.124 397 A CA -0.377 51.609 52.037 -0.084 0.000 0.766 397 A CB 1.749 20.666 19.000 -0.138 0.000 1.328 397 A HN 2.102 nan 8.150 nan 0.000 0.424 398 W N 0.000 121.243 121.300 -0.094 0.000 2.388 398 W HA 0.000 4.661 4.660 0.001 0.000 0.303 398 W CA 0.000 57.330 57.345 -0.026 0.000 1.226 398 W CB 0.000 29.438 29.460 -0.036 0.000 1.126 398 W HN 0.000 nan 8.180 nan 0.000 0.535